data_25284 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25284 _Entry.PDB_ID 2MVU 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 25284 _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 ALA HA H 2 4.279 4.279 4.495 -0.216 25284 2 1 1 . 1 1 2 2 ALA C C 2 173.785 173.785 177.179 -3.394 25284 3 1 1 . 1 1 2 2 ALA CA C 2 52.136 52.136 51.783 0.353 25284 4 1 1 . 1 1 2 2 ALA CB C 2 20.083 20.083 18.736 1.347 25284 5 1 1 . 1 1 3 3 THR N N 3 117.799 117.799 121.007 -3.208 25284 6 1 1 . 1 1 3 3 THR HA H 3 4.398 4.398 4.291 0.107 25284 7 1 1 . 1 1 3 3 THR C C 3 172.979 172.979 173.802 -0.823 25284 8 1 1 . 1 1 3 3 THR CA C 3 62.907 62.907 61.211 1.696 25284 9 1 1 . 1 1 3 3 THR CB C 3 70.082 70.082 68.700 1.382 25284 10 1 1 . 1 1 3 3 THR H H 3 8.703 8.703 8.630 0.073 25284 11 1 1 . 1 1 4 4 LEU N N 4 124.656 124.656 127.377 -2.721 25284 12 1 1 . 1 1 4 4 LEU HA H 4 4.373 4.373 4.039 0.334 25284 13 1 1 . 1 1 4 4 LEU C C 4 177.215 177.215 175.778 1.437 25284 14 1 1 . 1 1 4 4 LEU CA C 4 54.852 54.852 55.449 -0.597 25284 15 1 1 . 1 1 4 4 LEU CB C 4 42.864 42.864 42.500 0.364 25284 16 1 1 . 1 1 4 4 LEU H H 4 8.155 8.155 7.951 0.204 25284 17 1 1 . 1 1 5 5 LEU N N 5 124.772 124.772 129.411 -4.639 25284 18 1 1 . 1 1 5 5 LEU HA H 5 4.530 4.530 4.237 0.293 25284 19 1 1 . 1 1 5 5 LEU C C 5 177.915 177.915 176.593 1.322 25284 20 1 1 . 1 1 5 5 LEU CA C 5 55.564 55.564 54.815 0.749 25284 21 1 1 . 1 1 5 5 LEU CB C 5 42.806 42.806 41.894 0.912 25284 22 1 1 . 1 1 5 5 LEU H H 5 9.421 9.421 8.687 0.734 25284 23 1 1 . 1 1 6 6 THR N N 6 115.077 115.077 117.308 -2.231 25284 24 1 1 . 1 1 6 6 THR HA H 6 4.745 4.745 4.682 0.063 25284 25 1 1 . 1 1 6 6 THR C C 6 175.958 175.958 175.552 0.406 25284 26 1 1 . 1 1 6 6 THR CA C 6 60.159 60.159 60.438 -0.279 25284 27 1 1 . 1 1 6 6 THR CB C 6 72.442 72.442 70.718 1.724 25284 28 1 1 . 1 1 6 6 THR H H 6 9.006 9.006 9.317 -0.311 25284 29 1 1 . 1 1 7 7 THR N N 7 115.895 115.895 115.495 0.400 25284 30 1 1 . 1 1 7 7 THR HA H 7 3.867 3.867 4.069 -0.202 25284 31 1 1 . 1 1 7 7 THR C C 7 176.622 176.622 176.487 0.135 25284 32 1 1 . 1 1 7 7 THR CA C 7 67.331 67.331 67.240 0.091 25284 33 1 1 . 1 1 7 7 THR CB C 7 68.496 68.496 68.147 0.349 25284 34 1 1 . 1 1 7 7 THR H H 7 8.864 8.864 8.610 0.254 25284 35 1 1 . 1 1 8 8 ASP N N 8 120.253 120.253 120.682 -0.429 25284 36 1 1 . 1 1 8 8 ASP HA H 8 4.629 4.629 4.476 0.153 25284 37 1 1 . 1 1 8 8 ASP C C 8 178.593 178.593 178.053 0.540 25284 38 1 1 . 1 1 8 8 ASP CA C 8 57.740 57.740 58.438 -0.698 25284 39 1 1 . 1 1 8 8 ASP CB C 8 41.273 41.273 40.421 0.852 25284 40 1 1 . 1 1 8 8 ASP H H 8 8.289 8.289 8.558 -0.269 25284 41 1 1 . 1 1 9 9 ASP N N 9 120.653 120.653 120.441 0.212 25284 42 1 1 . 1 1 9 9 ASP HA H 9 4.560 4.560 4.498 0.062 25284 43 1 1 . 1 1 9 9 ASP C C 9 179.465 179.465 178.529 0.936 25284 44 1 1 . 1 1 9 9 ASP CA C 9 57.608 57.608 57.241 0.367 25284 45 1 1 . 1 1 9 9 ASP CB C 9 41.559 41.559 40.999 0.560 25284 46 1 1 . 1 1 9 9 ASP H H 9 7.916 7.916 7.651 0.265 25284 47 1 1 . 1 1 10 10 LEU N N 10 121.585 121.585 121.642 -0.057 25284 48 1 1 . 1 1 10 10 LEU HA H 10 4.216 4.216 4.158 0.058 25284 49 1 1 . 1 1 10 10 LEU C C 10 177.517 177.517 178.289 -0.772 25284 50 1 1 . 1 1 10 10 LEU CA C 10 58.031 58.031 57.801 0.230 25284 51 1 1 . 1 1 10 10 LEU CB C 10 42.146 42.146 42.159 -0.013 25284 52 1 1 . 1 1 10 10 LEU H H 10 8.086 8.086 8.320 -0.234 25284 53 1 1 . 1 1 11 11 ARG N N 11 120.099 120.099 118.485 1.614 25284 54 1 1 . 1 1 11 11 ARG HA H 11 3.514 3.514 3.681 -0.167 25284 55 1 1 . 1 1 11 11 ARG C C 11 177.769 177.769 178.398 -0.629 25284 56 1 1 . 1 1 11 11 ARG CA C 11 60.715 60.715 59.588 1.127 25284 57 1 1 . 1 1 11 11 ARG CB C 11 30.775 30.775 30.044 0.731 25284 58 1 1 . 1 1 11 11 ARG H H 11 8.852 8.852 8.350 0.502 25284 59 1 1 . 1 1 12 12 ARG N N 12 115.840 115.840 118.541 -2.701 25284 60 1 1 . 1 1 12 12 ARG HA H 12 4.032 4.032 4.129 -0.097 25284 61 1 1 . 1 1 12 12 ARG C C 12 178.492 178.492 178.182 0.310 25284 62 1 1 . 1 1 12 12 ARG CA C 12 59.592 59.592 58.986 0.606 25284 63 1 1 . 1 1 12 12 ARG CB C 12 30.583 30.583 30.244 0.339 25284 64 1 1 . 1 1 12 12 ARG H H 12 7.996 7.996 7.321 0.675 25284 65 1 1 . 1 1 13 13 ALA N N 13 120.184 120.184 122.784 -2.600 25284 66 1 1 . 1 1 13 13 ALA HA H 13 4.401 4.401 4.175 0.226 25284 67 1 1 . 1 1 13 13 ALA C C 13 180.114 180.114 179.762 0.352 25284 68 1 1 . 1 1 13 13 ALA CA C 13 54.938 54.938 55.030 -0.092 25284 69 1 1 . 1 1 13 13 ALA CB C 13 18.756 18.756 18.466 0.290 25284 70 1 1 . 1 1 13 13 ALA H H 13 7.705 7.705 8.330 -0.625 25284 71 1 1 . 1 1 14 14 LEU N N 14 119.427 119.427 118.926 0.501 25284 72 1 1 . 1 1 14 14 LEU HA H 14 4.424 4.424 4.184 0.240 25284 73 1 1 . 1 1 14 14 LEU C C 14 179.766 179.766 179.225 0.541 25284 74 1 1 . 1 1 14 14 LEU CA C 14 57.568 57.568 58.226 -0.658 25284 75 1 1 . 1 1 14 14 LEU CB C 14 42.039 42.039 41.898 0.141 25284 76 1 1 . 1 1 14 14 LEU H H 14 8.424 8.424 8.441 -0.017 25284 77 1 1 . 1 1 15 15 VAL N N 15 121.004 121.004 119.099 1.905 25284 78 1 1 . 1 1 15 15 VAL HA H 15 3.920 3.920 3.912 0.008 25284 79 1 1 . 1 1 15 15 VAL C C 15 179.014 179.014 178.575 0.439 25284 80 1 1 . 1 1 15 15 VAL CA C 15 66.259 66.259 65.996 0.263 25284 81 1 1 . 1 1 15 15 VAL CB C 15 32.137 32.137 31.634 0.503 25284 82 1 1 . 1 1 15 15 VAL H H 15 8.519 8.519 7.652 0.867 25284 83 1 1 . 1 1 16 16 GLU N N 16 119.984 119.984 119.040 0.944 25284 84 1 1 . 1 1 16 16 GLU HA H 16 4.206 4.206 4.263 -0.057 25284 85 1 1 . 1 1 16 16 GLU C C 16 178.547 178.547 176.993 1.554 25284 86 1 1 . 1 1 16 16 GLU CA C 16 59.042 59.042 57.967 1.075 25284 87 1 1 . 1 1 16 16 GLU CB C 16 29.692 29.692 28.998 0.694 25284 88 1 1 . 1 1 16 16 GLU H H 16 8.218 8.218 7.942 0.276 25284 89 1 1 . 1 1 17 17 SER N N 17 113.928 113.928 113.901 0.027 25284 90 1 1 . 1 1 17 17 SER HA H 17 4.577 4.577 4.573 0.004 25284 91 1 1 . 1 1 17 17 SER C C 17 174.273 174.273 172.536 1.737 25284 92 1 1 . 1 1 17 17 SER CA C 17 59.940 59.940 58.319 1.621 25284 93 1 1 . 1 1 17 17 SER CB C 17 64.378 64.378 64.513 -0.135 25284 94 1 1 . 1 1 17 17 SER H H 17 7.798 7.798 7.614 0.184 25284 95 1 1 . 1 1 18 18 ALA N N 18 123.357 123.357 122.821 0.536 25284 96 1 1 . 1 1 18 18 ALA HA H 18 4.347 4.347 4.691 -0.344 25284 97 1 1 . 1 1 18 18 ALA C C 18 178.292 178.292 176.424 1.868 25284 98 1 1 . 1 1 18 18 ALA CA C 18 52.991 52.991 50.915 2.076 25284 99 1 1 . 1 1 18 18 ALA CB C 18 19.965 19.965 20.654 -0.688 25284 100 1 1 . 1 1 18 18 ALA H H 18 7.813 7.813 7.215 0.598 25284 101 1 1 . 1 1 19 19 GLY N N 19 107.711 107.711 109.882 -2.171 25284 102 1 1 . 1 1 19 19 GLY C C 19 174.440 174.440 174.968 -0.528 25284 103 1 1 . 1 1 19 19 GLY CA C 19 45.650 45.650 45.953 -0.303 25284 104 1 1 . 1 1 19 19 GLY H H 19 8.256 8.256 8.787 -0.531 25284 105 1 1 . 1 1 20 20 GLU N N 20 120.763 120.763 120.836 -0.073 25284 106 1 1 . 1 1 20 20 GLU HA H 20 4.477 4.477 4.323 0.154 25284 107 1 1 . 1 1 20 20 GLU C C 20 176.905 176.905 176.238 0.667 25284 108 1 1 . 1 1 20 20 GLU CA C 20 56.896 56.896 56.495 0.401 25284 109 1 1 . 1 1 20 20 GLU CB C 20 30.160 30.160 29.166 0.994 25284 110 1 1 . 1 1 20 20 GLU H H 20 8.508 8.508 8.458 0.050 25284 111 1 1 . 1 1 21 21 THR N N 21 114.316 114.316 118.584 -4.268 25284 112 1 1 . 1 1 21 21 THR HA H 21 4.529 4.529 4.321 0.208 25284 113 1 1 . 1 1 21 21 THR C C 21 174.564 174.564 172.824 1.740 25284 114 1 1 . 1 1 21 21 THR CA C 21 61.942 61.942 61.702 0.240 25284 115 1 1 . 1 1 21 21 THR CB C 21 70.323 70.323 68.149 2.174 25284 116 1 1 . 1 1 21 21 THR H H 21 8.258 8.258 7.759 0.499 25284 117 1 1 . 1 1 22 22 ASP N N 22 122.479 122.479 123.315 -0.836 25284 118 1 1 . 1 1 22 22 ASP HA H 22 4.728 4.728 4.692 0.036 25284 119 1 1 . 1 1 22 22 ASP C C 22 176.913 176.913 176.614 0.299 25284 120 1 1 . 1 1 22 22 ASP CA C 22 54.806 54.806 53.815 0.991 25284 121 1 1 . 1 1 22 22 ASP CB C 22 41.144 41.144 41.919 -0.775 25284 122 1 1 . 1 1 22 22 ASP H H 22 8.506 8.506 7.746 0.760 25284 123 1 1 . 1 1 23 23 GLY N N 23 109.608 109.608 112.768 -3.160 25284 124 1 1 . 1 1 23 23 GLY C C 23 174.806 174.806 174.571 0.235 25284 125 1 1 . 1 1 23 23 GLY CA C 23 45.969 45.969 44.966 1.003 25284 126 1 1 . 1 1 23 23 GLY H H 23 8.503 8.503 8.787 -0.284 25284 127 1 1 . 1 1 24 24 THR N N 24 116.205 116.205 112.129 4.076 25284 128 1 1 . 1 1 24 24 THR HA H 24 4.333 4.333 4.396 -0.063 25284 129 1 1 . 1 1 24 24 THR C C 24 174.247 174.247 173.582 0.665 25284 130 1 1 . 1 1 24 24 THR CA C 24 63.240 63.240 60.941 2.299 25284 131 1 1 . 1 1 24 24 THR CB C 24 70.056 70.056 69.898 0.158 25284 132 1 1 . 1 1 24 24 THR H H 24 8.152 8.152 7.581 0.571 25284 133 1 1 . 1 1 25 25 ASP N N 25 124.096 124.096 120.757 3.339 25284 134 1 1 . 1 1 25 25 ASP HA H 25 4.718 4.718 4.703 0.015 25284 135 1 1 . 1 1 25 25 ASP C C 25 176.223 176.223 174.616 1.607 25284 136 1 1 . 1 1 25 25 ASP CA C 25 54.536 54.536 53.913 0.623 25284 137 1 1 . 1 1 25 25 ASP CB C 25 41.163 41.163 42.044 -0.881 25284 138 1 1 . 1 1 25 25 ASP H H 25 8.620 8.620 8.598 0.022 25284 139 1 1 . 1 1 26 26 LEU N N 26 123.934 123.934 125.255 -1.321 25284 140 1 1 . 1 1 26 26 LEU HA H 26 4.365 4.365 4.535 -0.170 25284 141 1 1 . 1 1 26 26 LEU C C 26 176.356 176.356 175.945 0.411 25284 142 1 1 . 1 1 26 26 LEU CA C 26 54.374 54.374 54.360 0.014 25284 143 1 1 . 1 1 26 26 LEU CB C 26 41.235 41.235 42.792 -1.557 25284 144 1 1 . 1 1 26 26 LEU H H 26 8.482 8.482 8.610 -0.128 25284 145 1 1 . 1 1 27 27 SER N N 27 115.330 115.330 114.942 0.388 25284 146 1 1 . 1 1 27 27 SER HA H 27 4.300 4.300 4.648 -0.348 25284 147 1 1 . 1 1 27 27 SER C C 27 175.077 175.077 175.946 -0.869 25284 148 1 1 . 1 1 27 27 SER CA C 27 59.917 59.917 58.721 1.196 25284 149 1 1 . 1 1 27 27 SER CB C 27 64.229 64.229 64.410 -0.181 25284 150 1 1 . 1 1 27 27 SER H H 27 8.214 8.214 8.068 0.146 25284 151 1 1 . 1 1 28 28 GLY N N 28 111.630 111.630 111.343 0.287 25284 152 1 1 . 1 1 28 28 GLY C C 28 174.303 174.303 173.309 0.994 25284 153 1 1 . 1 1 28 28 GLY CA C 28 45.500 45.500 44.465 1.034 25284 154 1 1 . 1 1 28 28 GLY H H 28 8.592 8.592 8.229 0.363 25284 155 1 1 . 1 1 29 29 ASP N N 29 123.552 123.552 120.602 2.950 25284 156 1 1 . 1 1 29 29 ASP HA H 29 4.851 4.851 4.359 0.492 25284 157 1 1 . 1 1 29 29 ASP C C 29 176.494 176.494 175.742 0.752 25284 158 1 1 . 1 1 29 29 ASP CA C 29 54.312 54.312 54.780 -0.468 25284 159 1 1 . 1 1 29 29 ASP CB C 29 39.771 39.771 40.781 -1.010 25284 160 1 1 . 1 1 29 29 ASP H H 29 8.690 8.690 7.855 0.835 25284 161 1 1 . 1 1 30 30 PHE N N 30 122.578 122.578 120.229 2.349 25284 162 1 1 . 1 1 30 30 PHE HA H 30 4.764 4.764 4.556 0.208 25284 163 1 1 . 1 1 30 30 PHE C C 30 175.529 175.529 175.643 -0.114 25284 164 1 1 . 1 1 30 30 PHE CA C 30 57.493 57.493 57.197 0.296 25284 165 1 1 . 1 1 30 30 PHE CB C 30 40.639 40.639 38.781 1.858 25284 166 1 1 . 1 1 30 30 PHE H H 30 8.076 8.076 8.274 -0.198 25284 167 1 1 . 1 1 31 31 LEU N N 31 119.188 119.188 122.561 -3.373 25284 168 1 1 . 1 1 31 31 LEU HA H 31 3.302 3.302 3.577 -0.275 25284 169 1 1 . 1 1 31 31 LEU C C 31 176.503 176.503 176.253 0.250 25284 170 1 1 . 1 1 31 31 LEU CA C 31 57.940 57.940 57.052 0.888 25284 171 1 1 . 1 1 31 31 LEU CB C 31 42.218 42.218 41.735 0.483 25284 172 1 1 . 1 1 31 31 LEU H H 31 7.535 7.535 7.485 0.050 25284 173 1 1 . 1 1 32 32 ASP N N 32 112.101 112.101 117.034 -4.933 25284 174 1 1 . 1 1 32 32 ASP HA H 32 5.047 5.047 4.614 0.433 25284 175 1 1 . 1 1 32 32 ASP C C 32 176.064 176.064 175.614 0.450 25284 176 1 1 . 1 1 32 32 ASP CA C 32 53.755 53.755 54.380 -0.625 25284 177 1 1 . 1 1 32 32 ASP CB C 32 41.824 41.824 41.848 -0.024 25284 178 1 1 . 1 1 32 32 ASP H H 32 8.087 8.087 7.595 0.492 25284 179 1 1 . 1 1 33 33 LEU N N 33 122.380 122.380 121.795 0.585 25284 180 1 1 . 1 1 33 33 LEU HA H 33 4.309 4.309 4.377 -0.068 25284 181 1 1 . 1 1 33 33 LEU C C 33 174.879 174.879 174.970 -0.091 25284 182 1 1 . 1 1 33 33 LEU CA C 33 54.566 54.566 54.422 0.144 25284 183 1 1 . 1 1 33 33 LEU CB C 33 42.528 42.528 44.245 -1.717 25284 184 1 1 . 1 1 33 33 LEU H H 33 7.222 7.222 7.250 -0.028 25284 185 1 1 . 1 1 34 34 ARG N N 34 116.439 116.439 118.754 -2.315 25284 186 1 1 . 1 1 34 34 ARG HA H 34 4.725 4.725 4.722 0.003 25284 187 1 1 . 1 1 34 34 ARG C C 34 179.778 179.778 178.091 1.687 25284 188 1 1 . 1 1 34 34 ARG CA C 34 55.536 55.536 54.761 0.775 25284 189 1 1 . 1 1 34 34 ARG CB C 34 30.173 30.173 31.297 -1.124 25284 190 1 1 . 1 1 34 34 ARG H H 34 8.487 8.487 8.486 0.001 25284 191 1 1 . 1 1 35 35 PHE N N 35 123.548 123.548 121.544 2.004 25284 192 1 1 . 1 1 35 35 PHE HA H 35 4.385 4.385 4.100 0.285 25284 193 1 1 . 1 1 35 35 PHE C C 35 178.776 178.776 177.446 1.330 25284 194 1 1 . 1 1 35 35 PHE CA C 35 63.121 63.121 62.989 0.132 25284 195 1 1 . 1 1 35 35 PHE CB C 35 37.967 37.967 38.546 -0.579 25284 196 1 1 . 1 1 35 35 PHE H H 35 8.455 8.455 8.650 -0.195 25284 197 1 1 . 1 1 36 36 GLU N N 36 117.380 117.380 117.465 -0.085 25284 198 1 1 . 1 1 36 36 GLU HA H 36 4.358 4.358 4.120 0.238 25284 199 1 1 . 1 1 36 36 GLU C C 36 178.612 178.612 177.818 0.794 25284 200 1 1 . 1 1 36 36 GLU CA C 36 59.145 59.145 58.696 0.449 25284 201 1 1 . 1 1 36 36 GLU CB C 36 29.301 29.301 28.947 0.354 25284 202 1 1 . 1 1 36 36 GLU H H 36 9.560 9.560 8.791 0.769 25284 203 1 1 . 1 1 37 37 ASP N N 37 118.596 118.596 120.059 -1.463 25284 204 1 1 . 1 1 37 37 ASP HA H 37 4.810 4.810 4.570 0.240 25284 205 1 1 . 1 1 37 37 ASP C C 37 177.993 177.993 177.870 0.123 25284 206 1 1 . 1 1 37 37 ASP CA C 37 56.474 56.474 56.364 0.111 25284 207 1 1 . 1 1 37 37 ASP CB C 37 41.411 41.411 41.314 0.097 25284 208 1 1 . 1 1 37 37 ASP H H 37 7.546 7.546 7.935 -0.389 25284 209 1 1 . 1 1 38 38 ILE N N 38 113.080 113.080 111.963 1.117 25284 210 1 1 . 1 1 38 38 ILE HA H 38 4.663 4.663 4.390 0.273 25284 211 1 1 . 1 1 38 38 ILE C C 38 176.140 176.140 175.985 0.155 25284 212 1 1 . 1 1 38 38 ILE CA C 38 62.038 62.038 60.926 1.112 25284 213 1 1 . 1 1 38 38 ILE CB C 38 38.755 38.755 37.481 1.274 25284 214 1 1 . 1 1 38 38 ILE H H 38 7.725 7.725 7.512 0.213 25284 215 1 1 . 1 1 39 39 GLY N N 39 107.376 107.376 108.250 -0.874 25284 216 1 1 . 1 1 39 39 GLY C C 39 174.497 174.497 174.262 0.235 25284 217 1 1 . 1 1 39 39 GLY CA C 39 46.580 46.580 45.876 0.704 25284 218 1 1 . 1 1 39 39 GLY H H 39 7.736 7.736 7.467 0.269 25284 219 1 1 . 1 1 40 40 TYR N N 40 121.883 121.883 119.975 1.908 25284 220 1 1 . 1 1 40 40 TYR HA H 40 4.583 4.583 4.586 -0.003 25284 221 1 1 . 1 1 40 40 TYR C C 40 174.479 174.479 175.406 -0.927 25284 222 1 1 . 1 1 40 40 TYR CA C 40 58.153 58.153 58.903 -0.750 25284 223 1 1 . 1 1 40 40 TYR CB C 40 40.535 40.535 39.597 0.938 25284 224 1 1 . 1 1 40 40 TYR H H 40 8.059 8.059 8.595 -0.536 25284 225 1 1 . 1 1 41 41 ASP N N 41 124.021 124.021 123.126 0.895 25284 226 1 1 . 1 1 41 41 ASP HA H 41 4.739 4.739 4.650 0.089 25284 227 1 1 . 1 1 41 41 ASP C C 41 175.831 175.831 177.170 -1.339 25284 228 1 1 . 1 1 41 41 ASP CA C 41 52.669 52.669 53.993 -1.324 25284 229 1 1 . 1 1 41 41 ASP CB C 41 42.015 42.015 43.210 -1.195 25284 230 1 1 . 1 1 41 41 ASP H H 41 7.992 7.992 8.445 -0.453 25284 231 1 1 . 1 1 42 42 SER N N 42 114.198 114.198 116.158 -1.960 25284 232 1 1 . 1 1 42 42 SER HA H 42 4.272 4.272 4.378 -0.106 25284 233 1 1 . 1 1 42 42 SER C C 42 176.102 176.102 176.788 -0.686 25284 234 1 1 . 1 1 42 42 SER CA C 42 60.657 60.657 60.651 0.006 25284 235 1 1 . 1 1 42 42 SER CB C 42 66.110 66.110 63.282 2.828 25284 236 1 1 . 1 1 43 43 LEU N N 43 124.254 124.254 121.246 3.008 25284 237 1 1 . 1 1 43 43 LEU HA H 43 4.269 4.269 4.183 0.086 25284 238 1 1 . 1 1 43 43 LEU C C 43 179.140 179.140 178.243 0.897 25284 239 1 1 . 1 1 43 43 LEU CA C 43 58.567 58.567 57.385 1.182 25284 240 1 1 . 1 1 43 43 LEU CB C 43 41.178 41.178 41.652 -0.474 25284 241 1 1 . 1 1 43 43 LEU H H 43 7.792 7.792 8.779 -0.987 25284 242 1 1 . 1 1 44 44 ALA N N 44 123.473 123.473 121.967 1.506 25284 243 1 1 . 1 1 44 44 ALA HA H 44 4.318 4.318 4.073 0.245 25284 244 1 1 . 1 1 44 44 ALA C C 44 181.903 181.903 179.714 2.189 25284 245 1 1 . 1 1 44 44 ALA CA C 44 55.068 55.068 54.973 0.095 25284 246 1 1 . 1 1 44 44 ALA CB C 44 18.556 18.556 18.377 0.179 25284 247 1 1 . 1 1 44 44 ALA H H 44 8.140 8.140 7.916 0.224 25284 248 1 1 . 1 1 45 45 LEU N N 45 121.524 121.524 119.791 1.733 25284 249 1 1 . 1 1 45 45 LEU HA H 45 3.898 3.898 4.222 -0.324 25284 250 1 1 . 1 1 45 45 LEU C C 45 179.040 179.040 178.341 0.699 25284 251 1 1 . 1 1 45 45 LEU CA C 45 58.475 58.475 56.706 1.769 25284 252 1 1 . 1 1 45 45 LEU CB C 45 41.780 41.780 41.401 0.379 25284 253 1 1 . 1 1 45 45 LEU H H 45 8.442 8.442 7.461 0.981 25284 254 1 1 . 1 1 46 46 MET N N 46 119.769 119.769 118.949 0.820 25284 255 1 1 . 1 1 46 46 MET HA H 46 4.265 4.265 3.934 0.331 25284 256 1 1 . 1 1 46 46 MET C C 46 180.609 180.609 178.787 1.822 25284 257 1 1 . 1 1 46 46 MET CA C 46 58.853 58.853 59.969 -1.116 25284 258 1 1 . 1 1 46 46 MET CB C 46 32.119 32.119 31.928 0.191 25284 259 1 1 . 1 1 46 46 MET H H 46 8.234 8.234 7.540 0.694 25284 260 1 1 . 1 1 47 47 GLU N N 47 121.097 121.097 119.810 1.287 25284 261 1 1 . 1 1 47 47 GLU HA H 47 4.228 4.228 4.002 0.226 25284 262 1 1 . 1 1 47 47 GLU C C 47 179.333 179.333 179.247 0.086 25284 263 1 1 . 1 1 47 47 GLU CA C 47 59.644 59.644 59.616 0.028 25284 264 1 1 . 1 1 47 47 GLU CB C 47 28.977 28.977 29.591 -0.614 25284 265 1 1 . 1 1 47 47 GLU H H 47 8.517 8.517 8.434 0.083 25284 266 1 1 . 1 1 48 48 THR N N 48 118.834 118.834 116.556 2.278 25284 267 1 1 . 1 1 48 48 THR HA H 48 3.961 3.961 4.063 -0.102 25284 268 1 1 . 1 1 48 48 THR C C 48 176.348 176.348 176.610 -0.262 25284 269 1 1 . 1 1 48 48 THR CA C 48 67.842 67.842 66.553 1.289 25284 270 1 1 . 1 1 48 48 THR CB C 48 68.056 68.056 68.626 -0.570 25284 271 1 1 . 1 1 48 48 THR H H 48 8.325 8.325 8.194 0.131 25284 272 1 1 . 1 1 49 49 ALA N N 49 123.924 123.924 123.235 0.689 25284 273 1 1 . 1 1 49 49 ALA HA H 49 3.926 3.926 4.079 -0.153 25284 274 1 1 . 1 1 49 49 ALA C C 49 178.608 178.608 179.255 -0.647 25284 275 1 1 . 1 1 49 49 ALA CA C 49 56.247 56.247 55.188 1.059 25284 276 1 1 . 1 1 49 49 ALA CB C 49 17.569 17.569 18.085 -0.516 25284 277 1 1 . 1 1 49 49 ALA H H 49 8.747 8.747 8.310 0.437 25284 278 1 1 . 1 1 50 50 ALA N N 50 119.691 119.691 121.701 -2.010 25284 279 1 1 . 1 1 50 50 ALA HA H 50 4.269 4.269 4.398 -0.129 25284 280 1 1 . 1 1 50 50 ALA C C 50 181.310 181.310 179.510 1.800 25284 281 1 1 . 1 1 50 50 ALA CA C 50 55.422 55.422 54.654 0.768 25284 282 1 1 . 1 1 50 50 ALA CB C 50 18.171 18.171 18.453 -0.282 25284 283 1 1 . 1 1 50 50 ALA H H 50 8.245 8.245 8.307 -0.062 25284 284 1 1 . 1 1 51 51 ARG N N 51 119.913 119.913 119.528 0.385 25284 285 1 1 . 1 1 51 51 ARG HA H 51 4.247 4.247 4.065 0.182 25284 286 1 1 . 1 1 51 51 ARG C C 51 179.808 179.808 178.633 1.175 25284 287 1 1 . 1 1 51 51 ARG CA C 51 59.673 59.673 58.838 0.835 25284 288 1 1 . 1 1 51 51 ARG CB C 51 30.539 30.539 29.929 0.610 25284 289 1 1 . 1 1 51 51 ARG H H 51 8.129 8.129 8.087 0.042 25284 290 1 1 . 1 1 52 52 LEU N N 52 120.624 120.624 119.415 1.209 25284 291 1 1 . 1 1 52 52 LEU HA H 52 4.319 4.319 4.116 0.203 25284 292 1 1 . 1 1 52 52 LEU C C 52 179.192 179.192 179.173 0.019 25284 293 1 1 . 1 1 52 52 LEU CA C 52 58.253 58.253 58.033 0.220 25284 294 1 1 . 1 1 52 52 LEU CB C 52 42.812 42.812 41.615 1.197 25284 295 1 1 . 1 1 52 52 LEU H H 52 8.423 8.423 8.000 0.423 25284 296 1 1 . 1 1 53 53 GLU N N 53 119.779 119.779 120.043 -0.264 25284 297 1 1 . 1 1 53 53 GLU HA H 53 4.108 4.108 3.976 0.132 25284 298 1 1 . 1 1 53 53 GLU C C 53 179.388 179.388 179.582 -0.194 25284 299 1 1 . 1 1 53 53 GLU CA C 53 60.211 60.211 59.931 0.280 25284 300 1 1 . 1 1 53 53 GLU CB C 53 29.143 29.143 29.347 -0.204 25284 301 1 1 . 1 1 53 53 GLU H H 53 8.974 8.974 8.805 0.169 25284 302 1 1 . 1 1 54 54 SER N N 54 113.169 113.169 113.515 -0.346 25284 303 1 1 . 1 1 54 54 SER HA H 54 4.384 4.384 4.304 0.080 25284 304 1 1 . 1 1 54 54 SER C C 54 176.953 176.953 175.558 1.395 25284 305 1 1 . 1 1 54 54 SER CA C 54 61.279 61.279 60.660 0.619 25284 306 1 1 . 1 1 54 54 SER CB C 54 63.402 63.402 63.248 0.153 25284 307 1 1 . 1 1 54 54 SER H H 54 8.037 8.037 8.127 -0.090 25284 308 1 1 . 1 1 55 55 ARG N N 55 120.851 120.851 120.331 0.520 25284 309 1 1 . 1 1 55 55 ARG HA H 55 4.100 4.100 4.071 0.029 25284 310 1 1 . 1 1 55 55 ARG C C 55 177.905 177.905 177.997 -0.092 25284 311 1 1 . 1 1 55 55 ARG CA C 55 58.949 58.949 58.280 0.669 25284 312 1 1 . 1 1 55 55 ARG CB C 55 30.896 30.896 30.537 0.359 25284 313 1 1 . 1 1 55 55 ARG H H 55 8.099 8.099 7.772 0.327 25284 314 1 1 . 1 1 56 56 TYR N N 56 113.669 113.669 115.500 -1.831 25284 315 1 1 . 1 1 56 56 TYR HA H 56 4.687 4.687 4.511 0.176 25284 316 1 1 . 1 1 56 56 TYR C C 56 176.069 176.069 175.735 0.334 25284 317 1 1 . 1 1 56 56 TYR CA C 56 59.055 59.055 58.423 0.632 25284 318 1 1 . 1 1 56 56 TYR CB C 56 39.465 39.465 39.171 0.294 25284 319 1 1 . 1 1 56 56 TYR H H 56 8.158 8.158 8.022 0.136 25284 320 1 1 . 1 1 57 57 GLY N N 57 109.856 109.856 108.928 0.928 25284 321 1 1 . 1 1 57 57 GLY C C 57 174.642 174.642 173.826 0.816 25284 322 1 1 . 1 1 57 57 GLY CA C 57 47.476 47.476 45.147 2.329 25284 323 1 1 . 1 1 57 57 GLY H H 57 7.982 7.982 7.988 -0.006 25284 324 1 1 . 1 1 58 58 VAL N N 58 112.572 112.572 115.261 -2.689 25284 325 1 1 . 1 1 58 58 VAL HA H 58 4.676 4.676 4.684 -0.008 25284 326 1 1 . 1 1 58 58 VAL C C 58 174.069 174.069 173.255 0.814 25284 327 1 1 . 1 1 58 58 VAL CA C 58 59.313 59.313 59.331 -0.018 25284 328 1 1 . 1 1 58 58 VAL CB C 58 34.744 34.744 34.711 0.033 25284 329 1 1 . 1 1 58 58 VAL H H 58 7.497 7.497 7.803 -0.306 25284 330 1 1 . 1 1 59 59 SER N N 59 117.179 117.179 114.515 2.664 25284 331 1 1 . 1 1 59 59 SER HA H 59 4.846 4.846 4.910 -0.064 25284 332 1 1 . 1 1 59 59 SER C C 59 173.699 173.699 173.135 0.564 25284 333 1 1 . 1 1 59 59 SER CA C 59 57.401 57.401 57.410 -0.009 25284 334 1 1 . 1 1 59 59 SER CB C 59 64.502 64.502 64.678 -0.176 25284 335 1 1 . 1 1 59 59 SER H H 59 8.489 8.489 8.074 0.415 25284 336 1 1 . 1 1 60 60 ILE N N 60 125.858 125.858 126.451 -0.593 25284 337 1 1 . 1 1 60 60 ILE HA H 60 4.651 4.651 4.538 0.113 25284 338 1 1 . 1 1 60 60 ILE CA C 60 57.694 57.694 58.383 -0.689 25284 339 1 1 . 1 1 60 60 ILE CB C 60 40.500 40.500 40.681 -0.181 25284 340 1 1 . 1 1 60 60 ILE H H 60 8.222 8.222 9.075 -0.853 25284 341 1 1 . 1 1 61 61 PRO HA H 61 4.530 4.530 4.523 0.007 25284 342 1 1 . 1 1 61 61 PRO C C 61 177.512 177.512 176.725 0.787 25284 343 1 1 . 1 1 61 61 PRO CA C 61 63.561 63.561 62.797 0.764 25284 344 1 1 . 1 1 61 61 PRO CB C 61 32.770 32.770 32.394 0.376 25284 345 1 1 . 1 1 62 62 ASP N N 62 123.459 123.459 122.703 0.756 25284 346 1 1 . 1 1 62 62 ASP HA H 62 4.449 4.449 4.232 0.217 25284 347 1 1 . 1 1 62 62 ASP C C 62 177.284 177.284 177.439 -0.155 25284 348 1 1 . 1 1 62 62 ASP CA C 62 57.112 57.112 56.928 0.184 25284 349 1 1 . 1 1 62 62 ASP CB C 62 40.740 40.740 40.694 0.046 25284 350 1 1 . 1 1 62 62 ASP H H 62 8.831 8.831 8.634 0.197 25284 351 1 1 . 1 1 63 63 ASP N N 63 116.794 116.794 117.279 -0.485 25284 352 1 1 . 1 1 63 63 ASP HA H 63 4.529 4.529 4.415 0.114 25284 353 1 1 . 1 1 63 63 ASP C C 63 177.294 177.294 178.137 -0.843 25284 354 1 1 . 1 1 63 63 ASP CA C 63 54.956 54.956 56.266 -1.310 25284 355 1 1 . 1 1 63 63 ASP CB C 63 39.687 39.687 40.318 -0.631 25284 356 1 1 . 1 1 63 63 ASP H H 63 8.617 8.617 8.561 0.056 25284 357 1 1 . 1 1 64 64 VAL N N 64 119.209 119.209 120.196 -0.987 25284 358 1 1 . 1 1 64 64 VAL HA H 64 3.812 3.812 3.794 0.018 25284 359 1 1 . 1 1 64 64 VAL C C 64 177.556 177.556 177.009 0.547 25284 360 1 1 . 1 1 64 64 VAL CA C 64 65.179 65.179 64.882 0.297 25284 361 1 1 . 1 1 64 64 VAL CB C 64 32.413 32.413 31.515 0.898 25284 362 1 1 . 1 1 64 64 VAL H H 64 7.407 7.407 7.706 -0.299 25284 363 1 1 . 1 1 65 65 ALA N N 65 122.418 122.418 121.561 0.857 25284 364 1 1 . 1 1 65 65 ALA HA H 65 3.987 3.987 4.103 -0.116 25284 365 1 1 . 1 1 65 65 ALA C C 65 177.994 177.994 178.883 -0.889 25284 366 1 1 . 1 1 65 65 ALA CA C 65 54.842 54.842 54.288 0.554 25284 367 1 1 . 1 1 65 65 ALA CB C 65 18.522 18.522 18.377 0.145 25284 368 1 1 . 1 1 65 65 ALA H H 65 8.246 8.246 7.230 1.016 25284 369 1 1 . 1 1 66 66 GLY N N 66 100.378 100.378 104.269 -3.891 25284 370 1 1 . 1 1 66 66 GLY C C 66 174.387 174.387 175.217 -0.830 25284 371 1 1 . 1 1 66 66 GLY CA C 66 46.015 46.015 45.078 0.937 25284 372 1 1 . 1 1 66 66 GLY H H 66 8.021 8.021 7.476 0.545 25284 373 1 1 . 1 1 67 67 ARG N N 67 116.838 116.838 118.776 -1.938 25284 374 1 1 . 1 1 67 67 ARG HA H 67 4.623 4.623 4.383 0.240 25284 375 1 1 . 1 1 67 67 ARG C C 67 176.509 176.509 176.520 -0.011 25284 376 1 1 . 1 1 67 67 ARG CA C 67 55.883 55.883 55.873 0.010 25284 377 1 1 . 1 1 67 67 ARG CB C 67 31.911 31.911 30.889 1.022 25284 378 1 1 . 1 1 67 67 ARG H H 67 7.483 7.483 7.368 0.115 25284 379 1 1 . 1 1 68 68 VAL N N 68 114.649 114.649 115.132 -0.483 25284 380 1 1 . 1 1 68 68 VAL HA H 68 4.468 4.468 3.998 0.470 25284 381 1 1 . 1 1 68 68 VAL C C 68 175.192 175.192 174.934 0.258 25284 382 1 1 . 1 1 68 68 VAL CA C 68 61.819 61.819 61.747 0.072 25284 383 1 1 . 1 1 68 68 VAL CB C 68 33.624 33.624 33.073 0.551 25284 384 1 1 . 1 1 68 68 VAL H H 68 7.284 7.284 7.220 0.064 25284 385 1 1 . 1 1 69 69 ASP N N 69 120.972 120.972 121.793 -0.821 25284 386 1 1 . 1 1 69 69 ASP HA H 69 5.264 5.264 4.982 0.282 25284 387 1 1 . 1 1 69 69 ASP C C 69 176.970 176.970 176.008 0.962 25284 388 1 1 . 1 1 69 69 ASP CA C 69 55.811 55.811 55.640 0.171 25284 389 1 1 . 1 1 69 69 ASP CB C 69 44.441 44.441 43.631 0.810 25284 390 1 1 . 1 1 69 69 ASP H H 69 9.167 9.167 9.357 -0.190 25284 391 1 1 . 1 1 70 70 THR N N 70 108.311 108.311 111.790 -3.479 25284 392 1 1 . 1 1 70 70 THR HA H 70 4.939 4.939 5.185 -0.246 25284 393 1 1 . 1 1 70 70 THR CA C 70 57.823 57.823 58.637 -0.814 25284 394 1 1 . 1 1 70 70 THR CB C 70 71.412 71.412 70.421 0.991 25284 395 1 1 . 1 1 70 70 THR H H 70 7.477 7.477 8.867 -1.390 25284 396 1 1 . 1 1 71 71 PRO HA H 71 4.235 4.235 4.235 -0.000 25284 397 1 1 . 1 1 71 71 PRO C C 71 177.422 177.422 177.698 -0.276 25284 398 1 1 . 1 1 71 71 PRO CA C 71 66.002 66.002 65.614 0.388 25284 399 1 1 . 1 1 71 71 PRO CB C 71 32.686 32.686 31.497 1.189 25284 400 1 1 . 1 1 72 72 ARG N N 72 117.972 117.972 117.380 0.592 25284 401 1 1 . 1 1 72 72 ARG HA H 72 3.609 3.609 3.949 -0.340 25284 402 1 1 . 1 1 72 72 ARG C C 72 177.616 177.616 178.448 -0.832 25284 403 1 1 . 1 1 72 72 ARG CA C 72 60.243 60.243 59.379 0.864 25284 404 1 1 . 1 1 72 72 ARG CB C 72 30.524 30.524 29.195 1.329 25284 405 1 1 . 1 1 72 72 ARG H H 72 9.016 9.016 7.823 1.193 25284 406 1 1 . 1 1 73 73 GLU N N 73 116.790 116.790 120.498 -3.708 25284 407 1 1 . 1 1 73 73 GLU HA H 73 4.242 4.242 4.105 0.137 25284 408 1 1 . 1 1 73 73 GLU C C 73 180.200 180.200 178.980 1.220 25284 409 1 1 . 1 1 73 73 GLU CA C 73 59.226 59.226 58.911 0.315 25284 410 1 1 . 1 1 73 73 GLU CB C 73 30.069 30.069 29.438 0.631 25284 411 1 1 . 1 1 73 73 GLU H H 73 7.838 7.838 7.884 -0.046 25284 412 1 1 . 1 1 74 74 LEU N N 74 120.656 120.656 121.681 -1.025 25284 413 1 1 . 1 1 74 74 LEU HA H 74 4.313 4.313 4.149 0.164 25284 414 1 1 . 1 1 74 74 LEU C C 74 177.023 177.023 178.284 -1.261 25284 415 1 1 . 1 1 74 74 LEU CA C 74 58.179 58.179 57.429 0.750 25284 416 1 1 . 1 1 74 74 LEU CB C 74 42.292 42.292 41.671 0.621 25284 417 1 1 . 1 1 74 74 LEU H H 74 7.703 7.703 7.404 0.299 25284 418 1 1 . 1 1 75 75 LEU N N 75 121.434 121.434 120.086 1.348 25284 419 1 1 . 1 1 75 75 LEU HA H 75 3.894 3.894 3.967 -0.073 25284 420 1 1 . 1 1 75 75 LEU C C 75 178.169 178.169 177.806 0.363 25284 421 1 1 . 1 1 75 75 LEU CA C 75 58.562 58.562 58.366 0.196 25284 422 1 1 . 1 1 75 75 LEU CB C 75 42.408 42.408 41.622 0.786 25284 423 1 1 . 1 1 75 75 LEU H H 75 8.743 8.743 8.632 0.111 25284 424 1 1 . 1 1 76 76 ASP N N 76 117.849 117.849 119.489 -1.640 25284 425 1 1 . 1 1 76 76 ASP HA H 76 4.488 4.488 4.361 0.127 25284 426 1 1 . 1 1 76 76 ASP C C 76 180.127 180.127 178.679 1.448 25284 427 1 1 . 1 1 76 76 ASP CA C 76 57.487 57.487 57.483 0.004 25284 428 1 1 . 1 1 76 76 ASP CB C 76 40.085 40.085 40.834 -0.749 25284 429 1 1 . 1 1 76 76 ASP H H 76 8.711 8.711 7.928 0.783 25284 430 1 1 . 1 1 77 77 LEU N N 77 123.252 123.252 120.618 2.634 25284 431 1 1 . 1 1 77 77 LEU HA H 77 4.303 4.303 3.975 0.328 25284 432 1 1 . 1 1 77 77 LEU C C 77 180.621 180.621 179.118 1.503 25284 433 1 1 . 1 1 77 77 LEU CA C 77 58.439 58.439 57.885 0.554 25284 434 1 1 . 1 1 77 77 LEU CB C 77 42.905 42.905 41.832 1.073 25284 435 1 1 . 1 1 77 77 LEU H H 77 8.009 8.009 7.611 0.398 25284 436 1 1 . 1 1 78 78 ILE N N 78 120.216 120.216 120.131 0.085 25284 437 1 1 . 1 1 78 78 ILE HA H 78 3.750 3.750 3.604 0.146 25284 438 1 1 . 1 1 78 78 ILE C C 78 177.713 177.713 178.294 -0.581 25284 439 1 1 . 1 1 78 78 ILE CA C 78 64.757 64.757 64.329 0.429 25284 440 1 1 . 1 1 78 78 ILE CB C 78 37.402 37.402 36.500 0.902 25284 441 1 1 . 1 1 78 78 ILE H H 78 8.294 8.294 8.062 0.232 25284 442 1 1 . 1 1 79 79 ASN N N 79 118.191 118.191 117.933 0.258 25284 443 1 1 . 1 1 79 79 ASN HA H 79 4.912 4.912 4.375 0.537 25284 444 1 1 . 1 1 79 79 ASN C C 79 179.524 179.524 178.198 1.326 25284 445 1 1 . 1 1 79 79 ASN CA C 79 55.473 55.473 55.951 -0.478 25284 446 1 1 . 1 1 79 79 ASN CB C 79 37.331 37.331 37.820 -0.489 25284 447 1 1 . 1 1 79 79 ASN H H 79 8.887 8.887 8.403 0.484 25284 448 1 1 . 1 1 80 80 GLY N N 80 110.387 110.387 108.758 1.629 25284 449 1 1 . 1 1 80 80 GLY C C 80 175.783 175.783 175.481 0.302 25284 450 1 1 . 1 1 80 80 GLY CA C 80 47.166 47.166 46.921 0.245 25284 451 1 1 . 1 1 80 80 GLY H H 80 8.436 8.436 8.371 0.065 25284 452 1 1 . 1 1 81 81 ALA N N 81 124.420 124.420 125.185 -0.765 25284 453 1 1 . 1 1 81 81 ALA HA H 81 4.460 4.460 4.479 -0.019 25284 454 1 1 . 1 1 81 81 ALA C C 81 179.892 179.892 179.491 0.401 25284 455 1 1 . 1 1 81 81 ALA CA C 81 54.389 54.389 54.098 0.291 25284 456 1 1 . 1 1 81 81 ALA CB C 81 18.824 18.824 18.619 0.204 25284 457 1 1 . 1 1 81 81 ALA H H 81 7.606 7.606 7.809 -0.203 25284 458 1 1 . 1 1 82 82 LEU N N 82 120.239 120.239 120.517 -0.278 25284 459 1 1 . 1 1 82 82 LEU HA H 82 4.214 4.214 4.053 0.161 25284 460 1 1 . 1 1 82 82 LEU C C 82 178.884 178.884 178.300 0.584 25284 461 1 1 . 1 1 82 82 LEU CA C 82 57.098 57.098 57.580 -0.482 25284 462 1 1 . 1 1 82 82 LEU CB C 82 42.739 42.739 41.779 0.960 25284 463 1 1 . 1 1 82 82 LEU H H 82 8.285 8.285 8.247 0.038 25284 464 1 1 . 1 1 83 83 ALA N N 83 121.614 121.614 120.321 1.293 25284 465 1 1 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.106 0.193 25284 466 1 1 . 1 1 83 83 ALA C C 83 178.788 178.788 179.157 -0.369 25284 467 1 1 . 1 1 83 83 ALA CA C 83 54.049 54.049 54.534 -0.485 25284 468 1 1 . 1 1 83 83 ALA CB C 83 18.944 18.944 18.169 0.775 25284 469 1 1 . 1 1 83 83 ALA H H 83 7.973 7.973 8.119 -0.146 25284 470 1 1 . 1 1 84 84 GLU N N 84 117.412 117.412 117.802 -0.390 25284 471 1 1 . 1 1 84 84 GLU HA H 84 4.385 4.385 4.197 0.188 25284 472 1 1 . 1 1 84 84 GLU C C 84 176.406 176.406 177.482 -1.076 25284 473 1 1 . 1 1 84 84 GLU CA C 84 56.872 56.872 57.969 -1.097 25284 474 1 1 . 1 1 84 84 GLU CB C 84 29.773 29.773 29.827 -0.054 25284 475 1 1 . 1 1 84 84 GLU H H 84 7.753 7.753 7.866 -0.113 25284 476 1 1 . 1 1 85 85 ALA N N 85 124.256 124.256 121.027 3.229 25284 477 1 1 . 1 1 85 85 ALA HA H 85 4.471 4.471 4.283 0.188 25284 478 1 1 . 1 1 85 85 ALA C C 85 176.625 176.625 176.988 -0.363 25284 479 1 1 . 1 1 85 85 ALA CA C 85 52.679 52.679 51.940 0.739 25284 480 1 1 . 1 1 85 85 ALA CB C 85 19.702 19.702 19.473 0.229 25284 481 1 1 . 1 1 85 85 ALA H H 85 7.832 7.832 7.399 0.433 25284 482 1 2 . 1 1 2 2 ALA HA H 2 4.279 4.279 4.627 -0.347 25284 483 1 2 . 1 1 2 2 ALA C C 2 173.785 173.785 177.496 -3.711 25284 484 1 2 . 1 1 2 2 ALA CA C 2 52.136 52.136 51.552 0.584 25284 485 1 2 . 1 1 2 2 ALA CB C 2 20.083 20.083 19.754 0.329 25284 486 1 2 . 1 1 3 3 THR N N 3 117.799 117.799 117.370 0.429 25284 487 1 2 . 1 1 3 3 THR HA H 3 4.398 4.398 4.280 0.118 25284 488 1 2 . 1 1 3 3 THR C C 3 172.979 172.979 173.998 -1.019 25284 489 1 2 . 1 1 3 3 THR CA C 3 62.907 62.907 61.721 1.186 25284 490 1 2 . 1 1 3 3 THR CB C 3 70.082 70.082 68.282 1.800 25284 491 1 2 . 1 1 3 3 THR H H 3 8.703 8.703 8.580 0.123 25284 492 1 2 . 1 1 4 4 LEU N N 4 124.656 124.656 124.488 0.168 25284 493 1 2 . 1 1 4 4 LEU HA H 4 4.373 4.373 4.204 0.169 25284 494 1 2 . 1 1 4 4 LEU C C 4 177.215 177.215 176.184 1.031 25284 495 1 2 . 1 1 4 4 LEU CA C 4 54.852 54.852 53.883 0.969 25284 496 1 2 . 1 1 4 4 LEU CB C 4 42.864 42.864 43.597 -0.733 25284 497 1 2 . 1 1 4 4 LEU H H 4 8.155 8.155 7.677 0.478 25284 498 1 2 . 1 1 5 5 LEU N N 5 124.772 124.772 127.049 -2.277 25284 499 1 2 . 1 1 5 5 LEU HA H 5 4.530 4.530 4.389 0.141 25284 500 1 2 . 1 1 5 5 LEU C C 5 177.915 177.915 176.772 1.143 25284 501 1 2 . 1 1 5 5 LEU CA C 5 55.564 55.564 54.903 0.661 25284 502 1 2 . 1 1 5 5 LEU CB C 5 42.806 42.806 42.168 0.638 25284 503 1 2 . 1 1 5 5 LEU H H 5 9.421 9.421 8.740 0.681 25284 504 1 2 . 1 1 6 6 THR N N 6 115.077 115.077 114.884 0.193 25284 505 1 2 . 1 1 6 6 THR HA H 6 4.745 4.745 4.625 0.120 25284 506 1 2 . 1 1 6 6 THR C C 6 175.958 175.958 175.218 0.740 25284 507 1 2 . 1 1 6 6 THR CA C 6 60.159 60.159 60.007 0.152 25284 508 1 2 . 1 1 6 6 THR CB C 6 72.442 72.442 70.454 1.988 25284 509 1 2 . 1 1 6 6 THR H H 6 9.006 9.006 8.264 0.742 25284 510 1 2 . 1 1 7 7 THR N N 7 115.895 115.895 116.489 -0.594 25284 511 1 2 . 1 1 7 7 THR HA H 7 3.867 3.867 4.115 -0.248 25284 512 1 2 . 1 1 7 7 THR C C 7 176.622 176.622 176.629 -0.007 25284 513 1 2 . 1 1 7 7 THR CA C 7 67.331 67.331 66.478 0.853 25284 514 1 2 . 1 1 7 7 THR CB C 7 68.496 68.496 68.794 -0.298 25284 515 1 2 . 1 1 7 7 THR H H 7 8.864 8.864 8.472 0.392 25284 516 1 2 . 1 1 8 8 ASP N N 8 120.253 120.253 121.141 -0.888 25284 517 1 2 . 1 1 8 8 ASP HA H 8 4.629 4.629 4.468 0.161 25284 518 1 2 . 1 1 8 8 ASP C C 8 178.593 178.593 178.115 0.478 25284 519 1 2 . 1 1 8 8 ASP CA C 8 57.740 57.740 58.598 -0.858 25284 520 1 2 . 1 1 8 8 ASP CB C 8 41.273 41.273 40.366 0.907 25284 521 1 2 . 1 1 8 8 ASP H H 8 8.289 8.289 8.641 -0.352 25284 522 1 2 . 1 1 9 9 ASP N N 9 120.653 120.653 119.937 0.716 25284 523 1 2 . 1 1 9 9 ASP HA H 9 4.560 4.560 4.550 0.010 25284 524 1 2 . 1 1 9 9 ASP C C 9 179.465 179.465 178.545 0.920 25284 525 1 2 . 1 1 9 9 ASP CA C 9 57.608 57.608 56.817 0.791 25284 526 1 2 . 1 1 9 9 ASP CB C 9 41.559 41.559 41.439 0.120 25284 527 1 2 . 1 1 9 9 ASP H H 9 7.916 7.916 7.574 0.342 25284 528 1 2 . 1 1 10 10 LEU N N 10 121.585 121.585 121.869 -0.284 25284 529 1 2 . 1 1 10 10 LEU HA H 10 4.216 4.216 4.135 0.081 25284 530 1 2 . 1 1 10 10 LEU C C 10 177.517 177.517 178.142 -0.625 25284 531 1 2 . 1 1 10 10 LEU CA C 10 58.031 58.031 57.677 0.354 25284 532 1 2 . 1 1 10 10 LEU CB C 10 42.146 42.146 42.122 0.024 25284 533 1 2 . 1 1 10 10 LEU H H 10 8.086 8.086 8.399 -0.313 25284 534 1 2 . 1 1 11 11 ARG N N 11 120.099 120.099 119.504 0.595 25284 535 1 2 . 1 1 11 11 ARG HA H 11 3.514 3.514 3.478 0.036 25284 536 1 2 . 1 1 11 11 ARG C C 11 177.769 177.769 178.286 -0.517 25284 537 1 2 . 1 1 11 11 ARG CA C 11 60.715 60.715 59.870 0.845 25284 538 1 2 . 1 1 11 11 ARG CB C 11 30.775 30.775 30.034 0.741 25284 539 1 2 . 1 1 11 11 ARG H H 11 8.852 8.852 8.318 0.534 25284 540 1 2 . 1 1 12 12 ARG N N 12 115.840 115.840 118.657 -2.817 25284 541 1 2 . 1 1 12 12 ARG HA H 12 4.032 4.032 3.933 0.099 25284 542 1 2 . 1 1 12 12 ARG C C 12 178.492 178.492 178.708 -0.216 25284 543 1 2 . 1 1 12 12 ARG CA C 12 59.592 59.592 59.231 0.361 25284 544 1 2 . 1 1 12 12 ARG CB C 12 30.583 30.583 29.981 0.602 25284 545 1 2 . 1 1 12 12 ARG H H 12 7.996 7.996 7.982 0.014 25284 546 1 2 . 1 1 13 13 ALA N N 13 120.184 120.184 121.798 -1.614 25284 547 1 2 . 1 1 13 13 ALA HA H 13 4.401 4.401 4.178 0.223 25284 548 1 2 . 1 1 13 13 ALA C C 13 180.114 180.114 179.723 0.391 25284 549 1 2 . 1 1 13 13 ALA CA C 13 54.938 54.938 54.829 0.109 25284 550 1 2 . 1 1 13 13 ALA CB C 13 18.756 18.756 18.541 0.215 25284 551 1 2 . 1 1 13 13 ALA H H 13 7.705 7.705 7.700 0.005 25284 552 1 2 . 1 1 14 14 LEU N N 14 119.427 119.427 119.156 0.271 25284 553 1 2 . 1 1 14 14 LEU HA H 14 4.424 4.424 4.131 0.293 25284 554 1 2 . 1 1 14 14 LEU C C 14 179.766 179.766 178.711 1.055 25284 555 1 2 . 1 1 14 14 LEU CA C 14 57.568 57.568 56.925 0.643 25284 556 1 2 . 1 1 14 14 LEU CB C 14 42.039 42.039 41.881 0.158 25284 557 1 2 . 1 1 14 14 LEU H H 14 8.424 8.424 8.212 0.212 25284 558 1 2 . 1 1 15 15 VAL N N 15 121.004 121.004 119.625 1.379 25284 559 1 2 . 1 1 15 15 VAL HA H 15 3.920 3.920 3.550 0.370 25284 560 1 2 . 1 1 15 15 VAL C C 15 179.014 179.014 177.361 1.653 25284 561 1 2 . 1 1 15 15 VAL CA C 15 66.259 66.259 66.329 -0.070 25284 562 1 2 . 1 1 15 15 VAL CB C 15 32.137 32.137 31.450 0.687 25284 563 1 2 . 1 1 15 15 VAL H H 15 8.519 8.519 8.077 0.442 25284 564 1 2 . 1 1 16 16 GLU N N 16 119.984 119.984 119.021 0.963 25284 565 1 2 . 1 1 16 16 GLU HA H 16 4.206 4.206 4.071 0.135 25284 566 1 2 . 1 1 16 16 GLU C C 16 178.547 178.547 179.254 -0.707 25284 567 1 2 . 1 1 16 16 GLU CA C 16 59.042 59.042 59.266 -0.224 25284 568 1 2 . 1 1 16 16 GLU CB C 16 29.692 29.692 29.450 0.242 25284 569 1 2 . 1 1 16 16 GLU H H 16 8.218 8.218 7.625 0.593 25284 570 1 2 . 1 1 17 17 SER N N 17 113.928 113.928 113.533 0.395 25284 571 1 2 . 1 1 17 17 SER HA H 17 4.577 4.577 4.418 0.159 25284 572 1 2 . 1 1 17 17 SER C C 17 174.273 174.273 175.234 -0.961 25284 573 1 2 . 1 1 17 17 SER CA C 17 59.940 59.940 60.192 -0.252 25284 574 1 2 . 1 1 17 17 SER CB C 17 64.378 64.378 63.505 0.873 25284 575 1 2 . 1 1 17 17 SER H H 17 7.798 7.798 7.769 0.029 25284 576 1 2 . 1 1 18 18 ALA N N 18 123.357 123.357 123.691 -0.334 25284 577 1 2 . 1 1 18 18 ALA HA H 18 4.347 4.347 4.222 0.125 25284 578 1 2 . 1 1 18 18 ALA C C 18 178.292 178.292 178.703 -0.411 25284 579 1 2 . 1 1 18 18 ALA CA C 18 52.991 52.991 52.548 0.443 25284 580 1 2 . 1 1 18 18 ALA CB C 18 19.965 19.965 18.321 1.644 25284 581 1 2 . 1 1 18 18 ALA H H 18 7.813 7.813 7.300 0.513 25284 582 1 2 . 1 1 19 19 GLY N N 19 107.711 107.711 106.941 0.770 25284 583 1 2 . 1 1 19 19 GLY C C 19 174.440 174.440 175.187 -0.747 25284 584 1 2 . 1 1 19 19 GLY CA C 19 45.650 45.650 45.839 -0.189 25284 585 1 2 . 1 1 19 19 GLY H H 19 8.256 8.256 7.701 0.555 25284 586 1 2 . 1 1 20 20 GLU N N 20 120.763 120.763 119.591 1.172 25284 587 1 2 . 1 1 20 20 GLU HA H 20 4.477 4.477 4.399 0.078 25284 588 1 2 . 1 1 20 20 GLU C C 20 176.905 176.905 175.048 1.857 25284 589 1 2 . 1 1 20 20 GLU CA C 20 56.896 56.896 56.122 0.774 25284 590 1 2 . 1 1 20 20 GLU CB C 20 30.160 30.160 30.091 0.069 25284 591 1 2 . 1 1 20 20 GLU H H 20 8.508 8.508 7.597 0.911 25284 592 1 2 . 1 1 21 21 THR N N 21 114.316 114.316 117.827 -3.511 25284 593 1 2 . 1 1 21 21 THR HA H 21 4.529 4.529 4.319 0.210 25284 594 1 2 . 1 1 21 21 THR C C 21 174.564 174.564 172.141 2.423 25284 595 1 2 . 1 1 21 21 THR CA C 21 61.942 61.942 61.829 0.113 25284 596 1 2 . 1 1 21 21 THR CB C 21 70.323 70.323 69.024 1.299 25284 597 1 2 . 1 1 21 21 THR H H 21 8.258 8.258 8.422 -0.164 25284 598 1 2 . 1 1 22 22 ASP N N 22 122.479 122.479 119.427 3.052 25284 599 1 2 . 1 1 22 22 ASP HA H 22 4.728 4.728 4.371 0.357 25284 600 1 2 . 1 1 22 22 ASP C C 22 176.913 176.913 175.097 1.816 25284 601 1 2 . 1 1 22 22 ASP CA C 22 54.806 54.806 54.735 0.071 25284 602 1 2 . 1 1 22 22 ASP CB C 22 41.144 41.144 41.747 -0.603 25284 603 1 2 . 1 1 22 22 ASP H H 22 8.506 8.506 8.018 0.488 25284 604 1 2 . 1 1 23 23 GLY N N 23 109.608 109.608 111.029 -1.421 25284 605 1 2 . 1 1 23 23 GLY C C 23 174.806 174.806 174.636 0.170 25284 606 1 2 . 1 1 23 23 GLY CA C 23 45.969 45.969 45.192 0.777 25284 607 1 2 . 1 1 23 23 GLY H H 23 8.503 8.503 8.484 0.019 25284 608 1 2 . 1 1 24 24 THR N N 24 116.205 116.205 115.784 0.421 25284 609 1 2 . 1 1 24 24 THR HA H 24 4.333 4.333 4.384 -0.051 25284 610 1 2 . 1 1 24 24 THR C C 24 174.247 174.247 173.815 0.432 25284 611 1 2 . 1 1 24 24 THR CA C 24 63.240 63.240 61.033 2.207 25284 612 1 2 . 1 1 24 24 THR CB C 24 70.056 70.056 70.207 -0.150 25284 613 1 2 . 1 1 24 24 THR H H 24 8.152 8.152 7.665 0.487 25284 614 1 2 . 1 1 25 25 ASP N N 25 124.096 124.096 119.429 4.667 25284 615 1 2 . 1 1 25 25 ASP HA H 25 4.718 4.718 4.784 -0.066 25284 616 1 2 . 1 1 25 25 ASP C C 25 176.223 176.223 175.081 1.142 25284 617 1 2 . 1 1 25 25 ASP CA C 25 54.536 54.536 54.003 0.533 25284 618 1 2 . 1 1 25 25 ASP CB C 25 41.163 41.163 42.728 -1.565 25284 619 1 2 . 1 1 25 25 ASP H H 25 8.620 8.620 8.532 0.088 25284 620 1 2 . 1 1 26 26 LEU N N 26 123.934 123.934 123.433 0.501 25284 621 1 2 . 1 1 26 26 LEU HA H 26 4.365 4.365 4.766 -0.401 25284 622 1 2 . 1 1 26 26 LEU C C 26 176.356 176.356 176.976 -0.620 25284 623 1 2 . 1 1 26 26 LEU CA C 26 54.374 54.374 54.417 -0.043 25284 624 1 2 . 1 1 26 26 LEU CB C 26 41.235 41.235 42.268 -1.033 25284 625 1 2 . 1 1 26 26 LEU H H 26 8.482 8.482 8.532 -0.050 25284 626 1 2 . 1 1 27 27 SER N N 27 115.330 115.330 116.346 -1.016 25284 627 1 2 . 1 1 27 27 SER HA H 27 4.300 4.300 4.530 -0.230 25284 628 1 2 . 1 1 27 27 SER C C 27 175.077 175.077 175.977 -0.900 25284 629 1 2 . 1 1 27 27 SER CA C 27 59.917 59.917 60.336 -0.419 25284 630 1 2 . 1 1 27 27 SER CB C 27 64.229 64.229 63.650 0.579 25284 631 1 2 . 1 1 27 27 SER H H 27 8.214 8.214 8.613 -0.399 25284 632 1 2 . 1 1 28 28 GLY N N 28 111.630 111.630 108.903 2.727 25284 633 1 2 . 1 1 28 28 GLY C C 28 174.303 174.303 173.451 0.852 25284 634 1 2 . 1 1 28 28 GLY CA C 28 45.500 45.500 44.760 0.740 25284 635 1 2 . 1 1 28 28 GLY H H 28 8.592 8.592 8.099 0.493 25284 636 1 2 . 1 1 29 29 ASP N N 29 123.552 123.552 117.683 5.869 25284 637 1 2 . 1 1 29 29 ASP HA H 29 4.851 4.851 4.286 0.565 25284 638 1 2 . 1 1 29 29 ASP C C 29 176.494 176.494 175.324 1.170 25284 639 1 2 . 1 1 29 29 ASP CA C 29 54.312 54.312 55.042 -0.730 25284 640 1 2 . 1 1 29 29 ASP CB C 29 39.771 39.771 40.437 -0.666 25284 641 1 2 . 1 1 29 29 ASP H H 29 8.690 8.690 7.489 1.201 25284 642 1 2 . 1 1 30 30 PHE N N 30 122.578 122.578 119.196 3.382 25284 643 1 2 . 1 1 30 30 PHE HA H 30 4.764 4.764 4.600 0.164 25284 644 1 2 . 1 1 30 30 PHE C C 30 175.529 175.529 175.681 -0.152 25284 645 1 2 . 1 1 30 30 PHE CA C 30 57.493 57.493 57.043 0.450 25284 646 1 2 . 1 1 30 30 PHE CB C 30 40.639 40.639 39.315 1.324 25284 647 1 2 . 1 1 30 30 PHE H H 30 8.076 8.076 8.503 -0.427 25284 648 1 2 . 1 1 31 31 LEU N N 31 119.188 119.188 121.420 -2.232 25284 649 1 2 . 1 1 31 31 LEU HA H 31 3.302 3.302 3.741 -0.439 25284 650 1 2 . 1 1 31 31 LEU C C 31 176.503 176.503 176.517 -0.014 25284 651 1 2 . 1 1 31 31 LEU CA C 31 57.940 57.940 56.467 1.474 25284 652 1 2 . 1 1 31 31 LEU CB C 31 42.218 42.218 41.723 0.495 25284 653 1 2 . 1 1 31 31 LEU H H 31 7.535 7.535 7.400 0.135 25284 654 1 2 . 1 1 32 32 ASP N N 32 112.101 112.101 114.799 -2.698 25284 655 1 2 . 1 1 32 32 ASP HA H 32 5.047 5.047 4.536 0.511 25284 656 1 2 . 1 1 32 32 ASP C C 32 176.064 176.064 175.704 0.360 25284 657 1 2 . 1 1 32 32 ASP CA C 32 53.755 53.755 53.064 0.691 25284 658 1 2 . 1 1 32 32 ASP CB C 32 41.824 41.824 40.140 1.684 25284 659 1 2 . 1 1 32 32 ASP H H 32 8.087 8.087 8.070 0.017 25284 660 1 2 . 1 1 33 33 LEU N N 33 122.380 122.380 120.363 2.017 25284 661 1 2 . 1 1 33 33 LEU HA H 33 4.309 4.309 4.616 -0.307 25284 662 1 2 . 1 1 33 33 LEU C C 33 174.879 174.879 174.750 0.129 25284 663 1 2 . 1 1 33 33 LEU CA C 33 54.566 54.566 53.535 1.031 25284 664 1 2 . 1 1 33 33 LEU CB C 33 42.528 42.528 45.536 -3.008 25284 665 1 2 . 1 1 33 33 LEU H H 33 7.222 7.222 7.109 0.113 25284 666 1 2 . 1 1 34 34 ARG N N 34 116.439 116.439 117.808 -1.369 25284 667 1 2 . 1 1 34 34 ARG HA H 34 4.725 4.725 4.797 -0.072 25284 668 1 2 . 1 1 34 34 ARG C C 34 179.778 179.778 178.158 1.620 25284 669 1 2 . 1 1 34 34 ARG CA C 34 55.536 55.536 54.538 0.998 25284 670 1 2 . 1 1 34 34 ARG CB C 34 30.173 30.173 31.852 -1.679 25284 671 1 2 . 1 1 34 34 ARG H H 34 8.487 8.487 8.120 0.367 25284 672 1 2 . 1 1 35 35 PHE N N 35 123.548 123.548 121.605 1.943 25284 673 1 2 . 1 1 35 35 PHE HA H 35 4.385 4.385 4.160 0.225 25284 674 1 2 . 1 1 35 35 PHE C C 35 178.776 178.776 176.946 1.830 25284 675 1 2 . 1 1 35 35 PHE CA C 35 63.121 63.121 62.762 0.359 25284 676 1 2 . 1 1 35 35 PHE CB C 35 37.967 37.967 38.634 -0.667 25284 677 1 2 . 1 1 35 35 PHE H H 35 8.455 8.455 8.429 0.026 25284 678 1 2 . 1 1 36 36 GLU N N 36 117.380 117.380 117.038 0.342 25284 679 1 2 . 1 1 36 36 GLU HA H 36 4.358 4.358 4.124 0.234 25284 680 1 2 . 1 1 36 36 GLU C C 36 178.612 178.612 177.721 0.891 25284 681 1 2 . 1 1 36 36 GLU CA C 36 59.145 59.145 58.062 1.083 25284 682 1 2 . 1 1 36 36 GLU CB C 36 29.301 29.301 28.961 0.340 25284 683 1 2 . 1 1 36 36 GLU H H 36 9.560 9.560 8.506 1.054 25284 684 1 2 . 1 1 37 37 ASP N N 37 118.596 118.596 120.860 -2.264 25284 685 1 2 . 1 1 37 37 ASP HA H 37 4.810 4.810 4.533 0.277 25284 686 1 2 . 1 1 37 37 ASP C C 37 177.993 177.993 177.660 0.333 25284 687 1 2 . 1 1 37 37 ASP CA C 37 56.474 56.474 56.333 0.141 25284 688 1 2 . 1 1 37 37 ASP CB C 37 41.411 41.411 41.574 -0.163 25284 689 1 2 . 1 1 37 37 ASP H H 37 7.546 7.546 7.757 -0.211 25284 690 1 2 . 1 1 38 38 ILE N N 38 113.080 113.080 113.182 -0.102 25284 691 1 2 . 1 1 38 38 ILE HA H 38 4.663 4.663 4.515 0.148 25284 692 1 2 . 1 1 38 38 ILE C C 38 176.140 176.140 176.395 -0.255 25284 693 1 2 . 1 1 38 38 ILE CA C 38 62.038 62.038 60.800 1.238 25284 694 1 2 . 1 1 38 38 ILE CB C 38 38.755 38.755 37.202 1.553 25284 695 1 2 . 1 1 38 38 ILE H H 38 7.725 7.725 7.521 0.204 25284 696 1 2 . 1 1 39 39 GLY N N 39 107.376 107.376 108.713 -1.337 25284 697 1 2 . 1 1 39 39 GLY C C 39 174.497 174.497 174.545 -0.048 25284 698 1 2 . 1 1 39 39 GLY CA C 39 46.580 46.580 45.963 0.617 25284 699 1 2 . 1 1 39 39 GLY H H 39 7.736 7.736 7.491 0.245 25284 700 1 2 . 1 1 40 40 TYR N N 40 121.883 121.883 121.166 0.717 25284 701 1 2 . 1 1 40 40 TYR HA H 40 4.583 4.583 4.562 0.021 25284 702 1 2 . 1 1 40 40 TYR C C 40 174.479 174.479 176.105 -1.626 25284 703 1 2 . 1 1 40 40 TYR CA C 40 58.153 58.153 59.769 -1.616 25284 704 1 2 . 1 1 40 40 TYR CB C 40 40.535 40.535 38.419 2.116 25284 705 1 2 . 1 1 40 40 TYR H H 40 8.059 8.059 8.018 0.041 25284 706 1 2 . 1 1 41 41 ASP N N 41 124.021 124.021 124.377 -0.356 25284 707 1 2 . 1 1 41 41 ASP HA H 41 4.739 4.739 4.600 0.139 25284 708 1 2 . 1 1 41 41 ASP C C 41 175.831 175.831 177.572 -1.741 25284 709 1 2 . 1 1 41 41 ASP CA C 41 52.669 52.669 54.166 -1.497 25284 710 1 2 . 1 1 41 41 ASP CB C 41 42.015 42.015 42.983 -0.968 25284 711 1 2 . 1 1 41 41 ASP H H 41 7.992 7.992 7.938 0.054 25284 712 1 2 . 1 1 42 42 SER N N 42 114.198 114.198 115.966 -1.768 25284 713 1 2 . 1 1 42 42 SER HA H 42 4.272 4.272 4.359 -0.087 25284 714 1 2 . 1 1 42 42 SER C C 42 176.102 176.102 176.670 -0.568 25284 715 1 2 . 1 1 42 42 SER CA C 42 60.657 60.657 60.622 0.035 25284 716 1 2 . 1 1 42 42 SER CB C 42 66.110 66.110 63.162 2.948 25284 717 1 2 . 1 1 43 43 LEU N N 43 124.254 124.254 121.358 2.896 25284 718 1 2 . 1 1 43 43 LEU HA H 43 4.269 4.269 4.193 0.076 25284 719 1 2 . 1 1 43 43 LEU C C 43 179.140 179.140 178.234 0.906 25284 720 1 2 . 1 1 43 43 LEU CA C 43 58.567 58.567 57.162 1.405 25284 721 1 2 . 1 1 43 43 LEU CB C 43 41.178 41.178 41.699 -0.521 25284 722 1 2 . 1 1 43 43 LEU H H 43 7.792 7.792 8.933 -1.141 25284 723 1 2 . 1 1 44 44 ALA N N 44 123.473 123.473 121.634 1.839 25284 724 1 2 . 1 1 44 44 ALA HA H 44 4.318 4.318 4.129 0.189 25284 725 1 2 . 1 1 44 44 ALA C C 44 181.903 181.903 179.198 2.705 25284 726 1 2 . 1 1 44 44 ALA CA C 44 55.068 55.068 55.012 0.056 25284 727 1 2 . 1 1 44 44 ALA CB C 44 18.556 18.556 18.378 0.178 25284 728 1 2 . 1 1 44 44 ALA H H 44 8.140 8.140 7.908 0.232 25284 729 1 2 . 1 1 45 45 LEU N N 45 121.524 121.524 119.652 1.872 25284 730 1 2 . 1 1 45 45 LEU HA H 45 3.898 3.898 4.175 -0.277 25284 731 1 2 . 1 1 45 45 LEU C C 45 179.040 179.040 178.429 0.611 25284 732 1 2 . 1 1 45 45 LEU CA C 45 58.475 58.475 56.989 1.486 25284 733 1 2 . 1 1 45 45 LEU CB C 45 41.780 41.780 41.278 0.502 25284 734 1 2 . 1 1 45 45 LEU H H 45 8.442 8.442 7.429 1.013 25284 735 1 2 . 1 1 46 46 MET N N 46 119.769 119.769 118.083 1.686 25284 736 1 2 . 1 1 46 46 MET HA H 46 4.265 4.265 3.984 0.281 25284 737 1 2 . 1 1 46 46 MET C C 46 180.609 180.609 178.515 2.094 25284 738 1 2 . 1 1 46 46 MET CA C 46 58.853 58.853 59.876 -1.023 25284 739 1 2 . 1 1 46 46 MET CB C 46 32.119 32.119 31.989 0.129 25284 740 1 2 . 1 1 46 46 MET H H 46 8.234 8.234 7.280 0.954 25284 741 1 2 . 1 1 47 47 GLU N N 47 121.097 121.097 119.485 1.612 25284 742 1 2 . 1 1 47 47 GLU HA H 47 4.228 4.228 4.002 0.227 25284 743 1 2 . 1 1 47 47 GLU C C 47 179.333 179.333 179.370 -0.037 25284 744 1 2 . 1 1 47 47 GLU CA C 47 59.644 59.644 59.470 0.174 25284 745 1 2 . 1 1 47 47 GLU CB C 47 28.977 28.977 29.470 -0.493 25284 746 1 2 . 1 1 47 47 GLU H H 47 8.517 8.517 8.327 0.190 25284 747 1 2 . 1 1 48 48 THR N N 48 118.834 118.834 117.019 1.815 25284 748 1 2 . 1 1 48 48 THR HA H 48 3.961 3.961 4.049 -0.088 25284 749 1 2 . 1 1 48 48 THR C C 48 176.348 176.348 176.313 0.035 25284 750 1 2 . 1 1 48 48 THR CA C 48 67.842 67.842 66.329 1.513 25284 751 1 2 . 1 1 48 48 THR CB C 48 68.056 68.056 68.931 -0.875 25284 752 1 2 . 1 1 48 48 THR H H 48 8.325 8.325 8.027 0.298 25284 753 1 2 . 1 1 49 49 ALA N N 49 123.924 123.924 123.327 0.597 25284 754 1 2 . 1 1 49 49 ALA HA H 49 3.926 3.926 4.021 -0.095 25284 755 1 2 . 1 1 49 49 ALA C C 49 178.608 178.608 179.349 -0.741 25284 756 1 2 . 1 1 49 49 ALA CA C 49 56.247 56.247 55.051 1.196 25284 757 1 2 . 1 1 49 49 ALA CB C 49 17.569 17.569 18.138 -0.569 25284 758 1 2 . 1 1 49 49 ALA H H 49 8.747 8.747 8.198 0.549 25284 759 1 2 . 1 1 50 50 ALA N N 50 119.691 119.691 121.232 -1.541 25284 760 1 2 . 1 1 50 50 ALA HA H 50 4.269 4.269 4.296 -0.027 25284 761 1 2 . 1 1 50 50 ALA C C 50 181.310 181.310 179.291 2.019 25284 762 1 2 . 1 1 50 50 ALA CA C 50 55.422 55.422 54.751 0.671 25284 763 1 2 . 1 1 50 50 ALA CB C 50 18.171 18.171 18.448 -0.277 25284 764 1 2 . 1 1 50 50 ALA H H 50 8.245 8.245 8.599 -0.354 25284 765 1 2 . 1 1 51 51 ARG N N 51 119.913 119.913 118.855 1.058 25284 766 1 2 . 1 1 51 51 ARG HA H 51 4.247 4.247 4.142 0.105 25284 767 1 2 . 1 1 51 51 ARG C C 51 179.808 179.808 178.738 1.070 25284 768 1 2 . 1 1 51 51 ARG CA C 51 59.673 59.673 58.750 0.923 25284 769 1 2 . 1 1 51 51 ARG CB C 51 30.539 30.539 30.068 0.471 25284 770 1 2 . 1 1 51 51 ARG H H 51 8.129 8.129 7.636 0.493 25284 771 1 2 . 1 1 52 52 LEU N N 52 120.624 120.624 119.268 1.356 25284 772 1 2 . 1 1 52 52 LEU HA H 52 4.319 4.319 4.168 0.151 25284 773 1 2 . 1 1 52 52 LEU C C 52 179.192 179.192 178.787 0.405 25284 774 1 2 . 1 1 52 52 LEU CA C 52 58.253 58.253 57.564 0.689 25284 775 1 2 . 1 1 52 52 LEU CB C 52 42.812 42.812 41.783 1.028 25284 776 1 2 . 1 1 52 52 LEU H H 52 8.423 8.423 7.492 0.931 25284 777 1 2 . 1 1 53 53 GLU N N 53 119.779 119.779 120.550 -0.771 25284 778 1 2 . 1 1 53 53 GLU HA H 53 4.108 4.108 3.984 0.124 25284 779 1 2 . 1 1 53 53 GLU C C 53 179.388 179.388 179.375 0.013 25284 780 1 2 . 1 1 53 53 GLU CA C 53 60.211 60.211 60.066 0.145 25284 781 1 2 . 1 1 53 53 GLU CB C 53 29.143 29.143 29.483 -0.340 25284 782 1 2 . 1 1 53 53 GLU H H 53 8.974 8.974 8.760 0.214 25284 783 1 2 . 1 1 54 54 SER N N 54 113.169 113.169 114.639 -1.470 25284 784 1 2 . 1 1 54 54 SER HA H 54 4.384 4.384 4.260 0.124 25284 785 1 2 . 1 1 54 54 SER C C 54 176.953 176.953 175.885 1.068 25284 786 1 2 . 1 1 54 54 SER CA C 54 61.279 61.279 61.587 -0.308 25284 787 1 2 . 1 1 54 54 SER CB C 54 63.402 63.402 62.992 0.410 25284 788 1 2 . 1 1 54 54 SER H H 54 8.037 8.037 8.588 -0.551 25284 789 1 2 . 1 1 55 55 ARG N N 55 120.851 120.851 120.358 0.493 25284 790 1 2 . 1 1 55 55 ARG HA H 55 4.100 4.100 4.083 0.017 25284 791 1 2 . 1 1 55 55 ARG C C 55 177.905 177.905 177.673 0.232 25284 792 1 2 . 1 1 55 55 ARG CA C 55 58.949 58.949 58.107 0.842 25284 793 1 2 . 1 1 55 55 ARG CB C 55 30.896 30.896 30.729 0.167 25284 794 1 2 . 1 1 55 55 ARG H H 55 8.099 8.099 7.406 0.693 25284 795 1 2 . 1 1 56 56 TYR N N 56 113.669 113.669 114.863 -1.194 25284 796 1 2 . 1 1 56 56 TYR HA H 56 4.687 4.687 4.650 0.037 25284 797 1 2 . 1 1 56 56 TYR C C 56 176.069 176.069 176.187 -0.118 25284 798 1 2 . 1 1 56 56 TYR CA C 56 59.055 59.055 58.175 0.880 25284 799 1 2 . 1 1 56 56 TYR CB C 56 39.465 39.465 39.857 -0.392 25284 800 1 2 . 1 1 56 56 TYR H H 56 8.158 8.158 7.914 0.244 25284 801 1 2 . 1 1 57 57 GLY N N 57 109.856 109.856 109.839 0.017 25284 802 1 2 . 1 1 57 57 GLY C C 57 174.642 174.642 174.448 0.194 25284 803 1 2 . 1 1 57 57 GLY CA C 57 47.476 47.476 45.412 2.064 25284 804 1 2 . 1 1 57 57 GLY H H 57 7.982 7.982 8.182 -0.200 25284 805 1 2 . 1 1 58 58 VAL N N 58 112.572 112.572 114.330 -1.758 25284 806 1 2 . 1 1 58 58 VAL HA H 58 4.676 4.676 4.539 0.137 25284 807 1 2 . 1 1 58 58 VAL C C 58 174.069 174.069 174.651 -0.582 25284 808 1 2 . 1 1 58 58 VAL CA C 58 59.313 59.313 59.592 -0.279 25284 809 1 2 . 1 1 58 58 VAL CB C 58 34.744 34.744 33.964 0.780 25284 810 1 2 . 1 1 58 58 VAL H H 58 7.497 7.497 7.306 0.191 25284 811 1 2 . 1 1 59 59 SER N N 59 117.179 117.179 115.176 2.003 25284 812 1 2 . 1 1 59 59 SER HA H 59 4.846 4.846 4.963 -0.117 25284 813 1 2 . 1 1 59 59 SER C C 59 173.699 173.699 173.177 0.522 25284 814 1 2 . 1 1 59 59 SER CA C 59 57.401 57.401 58.048 -0.647 25284 815 1 2 . 1 1 59 59 SER CB C 59 64.502 64.502 64.604 -0.102 25284 816 1 2 . 1 1 59 59 SER H H 59 8.489 8.489 8.183 0.306 25284 817 1 2 . 1 1 60 60 ILE N N 60 125.858 125.858 126.490 -0.632 25284 818 1 2 . 1 1 60 60 ILE HA H 60 4.651 4.651 4.414 0.237 25284 819 1 2 . 1 1 60 60 ILE CA C 60 57.694 57.694 58.386 -0.692 25284 820 1 2 . 1 1 60 60 ILE CB C 60 40.500 40.500 39.723 0.777 25284 821 1 2 . 1 1 60 60 ILE H H 60 8.222 8.222 9.158 -0.936 25284 822 1 2 . 1 1 61 61 PRO HA H 61 4.530 4.530 4.508 0.022 25284 823 1 2 . 1 1 61 61 PRO C C 61 177.512 177.512 177.260 0.252 25284 824 1 2 . 1 1 61 61 PRO CA C 61 63.561 63.561 62.296 1.265 25284 825 1 2 . 1 1 61 61 PRO CB C 61 32.770 32.770 32.454 0.316 25284 826 1 2 . 1 1 62 62 ASP N N 62 123.459 123.459 122.173 1.286 25284 827 1 2 . 1 1 62 62 ASP HA H 62 4.449 4.449 4.230 0.219 25284 828 1 2 . 1 1 62 62 ASP C C 62 177.284 177.284 177.182 0.102 25284 829 1 2 . 1 1 62 62 ASP CA C 62 57.112 57.112 57.435 -0.323 25284 830 1 2 . 1 1 62 62 ASP CB C 62 40.740 40.740 40.549 0.191 25284 831 1 2 . 1 1 62 62 ASP H H 62 8.831 8.831 8.649 0.182 25284 832 1 2 . 1 1 63 63 ASP N N 63 116.794 116.794 117.082 -0.288 25284 833 1 2 . 1 1 63 63 ASP HA H 63 4.529 4.529 4.455 0.074 25284 834 1 2 . 1 1 63 63 ASP C C 63 177.294 177.294 177.578 -0.284 25284 835 1 2 . 1 1 63 63 ASP CA C 63 54.956 54.956 55.851 -0.895 25284 836 1 2 . 1 1 63 63 ASP CB C 63 39.687 39.687 40.148 -0.461 25284 837 1 2 . 1 1 63 63 ASP H H 63 8.617 8.617 8.855 -0.238 25284 838 1 2 . 1 1 64 64 VAL N N 64 119.209 119.209 119.898 -0.689 25284 839 1 2 . 1 1 64 64 VAL HA H 64 3.812 3.812 3.931 -0.119 25284 840 1 2 . 1 1 64 64 VAL C C 64 177.556 177.556 177.938 -0.382 25284 841 1 2 . 1 1 64 64 VAL CA C 64 65.179 65.179 64.092 1.087 25284 842 1 2 . 1 1 64 64 VAL CB C 64 32.413 32.413 32.035 0.378 25284 843 1 2 . 1 1 64 64 VAL H H 64 7.407 7.407 7.387 0.020 25284 844 1 2 . 1 1 65 65 ALA N N 65 122.418 122.418 123.487 -1.069 25284 845 1 2 . 1 1 65 65 ALA HA H 65 3.987 3.987 4.115 -0.128 25284 846 1 2 . 1 1 65 65 ALA C C 65 177.994 177.994 178.670 -0.676 25284 847 1 2 . 1 1 65 65 ALA CA C 65 54.842 54.842 54.296 0.546 25284 848 1 2 . 1 1 65 65 ALA CB C 65 18.522 18.522 18.281 0.241 25284 849 1 2 . 1 1 65 65 ALA H H 65 8.246 8.246 7.686 0.560 25284 850 1 2 . 1 1 66 66 GLY N N 66 100.378 100.378 103.813 -3.435 25284 851 1 2 . 1 1 66 66 GLY C C 66 174.387 174.387 174.805 -0.418 25284 852 1 2 . 1 1 66 66 GLY CA C 66 46.015 46.015 45.345 0.670 25284 853 1 2 . 1 1 66 66 GLY H H 66 8.021 8.021 7.772 0.249 25284 854 1 2 . 1 1 67 67 ARG N N 67 116.838 116.838 119.404 -2.566 25284 855 1 2 . 1 1 67 67 ARG HA H 67 4.623 4.623 4.460 0.163 25284 856 1 2 . 1 1 67 67 ARG C C 67 176.509 176.509 176.479 0.030 25284 857 1 2 . 1 1 67 67 ARG CA C 67 55.883 55.883 55.233 0.650 25284 858 1 2 . 1 1 67 67 ARG CB C 67 31.911 31.911 30.750 1.161 25284 859 1 2 . 1 1 67 67 ARG H H 67 7.483 7.483 7.690 -0.207 25284 860 1 2 . 1 1 68 68 VAL N N 68 114.649 114.649 115.547 -0.898 25284 861 1 2 . 1 1 68 68 VAL HA H 68 4.468 4.468 4.135 0.333 25284 862 1 2 . 1 1 68 68 VAL C C 68 175.192 175.192 175.314 -0.122 25284 863 1 2 . 1 1 68 68 VAL CA C 68 61.819 61.819 61.535 0.284 25284 864 1 2 . 1 1 68 68 VAL CB C 68 33.624 33.624 32.840 0.784 25284 865 1 2 . 1 1 68 68 VAL H H 68 7.284 7.284 7.430 -0.146 25284 866 1 2 . 1 1 69 69 ASP N N 69 120.972 120.972 119.092 1.880 25284 867 1 2 . 1 1 69 69 ASP HA H 69 5.264 5.264 5.082 0.182 25284 868 1 2 . 1 1 69 69 ASP C C 69 176.970 176.970 175.853 1.117 25284 869 1 2 . 1 1 69 69 ASP CA C 69 55.811 55.811 55.273 0.538 25284 870 1 2 . 1 1 69 69 ASP CB C 69 44.441 44.441 43.884 0.557 25284 871 1 2 . 1 1 69 69 ASP H H 69 9.167 9.167 9.412 -0.245 25284 872 1 2 . 1 1 70 70 THR N N 70 108.311 108.311 114.354 -6.043 25284 873 1 2 . 1 1 70 70 THR HA H 70 4.939 4.939 5.049 -0.110 25284 874 1 2 . 1 1 70 70 THR CA C 70 57.823 57.823 59.048 -1.225 25284 875 1 2 . 1 1 70 70 THR CB C 70 71.412 71.412 70.315 1.097 25284 876 1 2 . 1 1 70 70 THR H H 70 7.477 7.477 8.930 -1.453 25284 877 1 2 . 1 1 71 71 PRO HA H 71 4.235 4.235 4.394 -0.159 25284 878 1 2 . 1 1 71 71 PRO C C 71 177.422 177.422 177.698 -0.276 25284 879 1 2 . 1 1 71 71 PRO CA C 71 66.002 66.002 65.473 0.529 25284 880 1 2 . 1 1 71 71 PRO CB C 71 32.686 32.686 31.446 1.240 25284 881 1 2 . 1 1 72 72 ARG N N 72 117.972 117.972 116.351 1.621 25284 882 1 2 . 1 1 72 72 ARG HA H 72 3.609 3.609 4.007 -0.398 25284 883 1 2 . 1 1 72 72 ARG C C 72 177.616 177.616 178.088 -0.472 25284 884 1 2 . 1 1 72 72 ARG CA C 72 60.243 60.243 59.262 0.981 25284 885 1 2 . 1 1 72 72 ARG CB C 72 30.524 30.524 28.957 1.567 25284 886 1 2 . 1 1 72 72 ARG H H 72 9.016 9.016 8.537 0.479 25284 887 1 2 . 1 1 73 73 GLU N N 73 116.790 116.790 120.234 -3.444 25284 888 1 2 . 1 1 73 73 GLU HA H 73 4.242 4.242 4.112 0.130 25284 889 1 2 . 1 1 73 73 GLU C C 73 180.200 180.200 178.946 1.254 25284 890 1 2 . 1 1 73 73 GLU CA C 73 59.226 59.226 58.816 0.410 25284 891 1 2 . 1 1 73 73 GLU CB C 73 30.069 30.069 29.308 0.761 25284 892 1 2 . 1 1 73 73 GLU H H 73 7.838 7.838 7.871 -0.033 25284 893 1 2 . 1 1 74 74 LEU N N 74 120.656 120.656 121.846 -1.190 25284 894 1 2 . 1 1 74 74 LEU HA H 74 4.313 4.313 4.059 0.254 25284 895 1 2 . 1 1 74 74 LEU C C 74 177.023 177.023 178.239 -1.216 25284 896 1 2 . 1 1 74 74 LEU CA C 74 58.179 58.179 57.802 0.377 25284 897 1 2 . 1 1 74 74 LEU CB C 74 42.292 42.292 42.227 0.065 25284 898 1 2 . 1 1 74 74 LEU H H 74 7.703 7.703 7.385 0.318 25284 899 1 2 . 1 1 75 75 LEU N N 75 121.434 121.434 119.680 1.754 25284 900 1 2 . 1 1 75 75 LEU HA H 75 3.894 3.894 3.971 -0.077 25284 901 1 2 . 1 1 75 75 LEU C C 75 178.169 178.169 177.808 0.361 25284 902 1 2 . 1 1 75 75 LEU CA C 75 58.562 58.562 58.187 0.376 25284 903 1 2 . 1 1 75 75 LEU CB C 75 42.408 42.408 41.611 0.797 25284 904 1 2 . 1 1 75 75 LEU H H 75 8.743 8.743 8.270 0.473 25284 905 1 2 . 1 1 76 76 ASP N N 76 117.849 117.849 118.930 -1.081 25284 906 1 2 . 1 1 76 76 ASP HA H 76 4.488 4.488 4.309 0.179 25284 907 1 2 . 1 1 76 76 ASP C C 76 180.127 180.127 178.468 1.659 25284 908 1 2 . 1 1 76 76 ASP CA C 76 57.487 57.487 57.582 -0.095 25284 909 1 2 . 1 1 76 76 ASP CB C 76 40.085 40.085 40.923 -0.838 25284 910 1 2 . 1 1 76 76 ASP H H 76 8.711 8.711 7.903 0.808 25284 911 1 2 . 1 1 77 77 LEU N N 77 123.252 123.252 120.452 2.800 25284 912 1 2 . 1 1 77 77 LEU HA H 77 4.303 4.303 4.004 0.299 25284 913 1 2 . 1 1 77 77 LEU C C 77 180.621 180.621 179.108 1.513 25284 914 1 2 . 1 1 77 77 LEU CA C 77 58.439 58.439 57.790 0.649 25284 915 1 2 . 1 1 77 77 LEU CB C 77 42.905 42.905 41.918 0.987 25284 916 1 2 . 1 1 77 77 LEU H H 77 8.009 8.009 7.480 0.529 25284 917 1 2 . 1 1 78 78 ILE N N 78 120.216 120.216 120.201 0.015 25284 918 1 2 . 1 1 78 78 ILE HA H 78 3.750 3.750 3.610 0.140 25284 919 1 2 . 1 1 78 78 ILE C C 78 177.713 177.713 178.264 -0.551 25284 920 1 2 . 1 1 78 78 ILE CA C 78 64.757 64.757 64.243 0.514 25284 921 1 2 . 1 1 78 78 ILE CB C 78 37.402 37.402 36.618 0.784 25284 922 1 2 . 1 1 78 78 ILE H H 78 8.294 8.294 8.081 0.213 25284 923 1 2 . 1 1 79 79 ASN N N 79 118.191 118.191 118.042 0.149 25284 924 1 2 . 1 1 79 79 ASN HA H 79 4.912 4.912 4.312 0.600 25284 925 1 2 . 1 1 79 79 ASN C C 79 179.524 179.524 178.116 1.408 25284 926 1 2 . 1 1 79 79 ASN CA C 79 55.473 55.473 55.999 -0.526 25284 927 1 2 . 1 1 79 79 ASN CB C 79 37.331 37.331 37.763 -0.432 25284 928 1 2 . 1 1 79 79 ASN H H 79 8.887 8.887 8.558 0.329 25284 929 1 2 . 1 1 80 80 GLY N N 80 110.387 110.387 108.461 1.926 25284 930 1 2 . 1 1 80 80 GLY C C 80 175.783 175.783 175.088 0.695 25284 931 1 2 . 1 1 80 80 GLY CA C 80 47.166 47.166 47.008 0.158 25284 932 1 2 . 1 1 80 80 GLY H H 80 8.436 8.436 8.336 0.100 25284 933 1 2 . 1 1 81 81 ALA N N 81 124.420 124.420 123.768 0.652 25284 934 1 2 . 1 1 81 81 ALA HA H 81 4.460 4.460 4.492 -0.032 25284 935 1 2 . 1 1 81 81 ALA C C 81 179.892 179.892 179.304 0.588 25284 936 1 2 . 1 1 81 81 ALA CA C 81 54.389 54.389 53.658 0.731 25284 937 1 2 . 1 1 81 81 ALA CB C 81 18.824 18.824 18.887 -0.062 25284 938 1 2 . 1 1 81 81 ALA H H 81 7.606 7.606 7.435 0.171 25284 939 1 2 . 1 1 82 82 LEU N N 82 120.239 120.239 120.528 -0.289 25284 940 1 2 . 1 1 82 82 LEU HA H 82 4.214 4.214 4.052 0.162 25284 941 1 2 . 1 1 82 82 LEU C C 82 178.884 178.884 177.827 1.057 25284 942 1 2 . 1 1 82 82 LEU CA C 82 57.098 57.098 57.182 -0.084 25284 943 1 2 . 1 1 82 82 LEU CB C 82 42.739 42.739 41.739 1.000 25284 944 1 2 . 1 1 82 82 LEU H H 82 8.285 8.285 8.094 0.191 25284 945 1 2 . 1 1 83 83 ALA N N 83 121.614 121.614 120.312 1.302 25284 946 1 2 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.147 0.152 25284 947 1 2 . 1 1 83 83 ALA C C 83 178.788 178.788 178.706 0.082 25284 948 1 2 . 1 1 83 83 ALA CA C 83 54.049 54.049 54.345 -0.296 25284 949 1 2 . 1 1 83 83 ALA CB C 83 18.944 18.944 17.987 0.957 25284 950 1 2 . 1 1 83 83 ALA H H 83 7.973 7.973 8.264 -0.291 25284 951 1 2 . 1 1 84 84 GLU N N 84 117.412 117.412 118.866 -1.454 25284 952 1 2 . 1 1 84 84 GLU HA H 84 4.385 4.385 4.199 0.186 25284 953 1 2 . 1 1 84 84 GLU C C 84 176.406 176.406 177.364 -0.958 25284 954 1 2 . 1 1 84 84 GLU CA C 84 56.872 56.872 57.530 -0.658 25284 955 1 2 . 1 1 84 84 GLU CB C 84 29.773 29.773 29.977 -0.204 25284 956 1 2 . 1 1 84 84 GLU H H 84 7.753 7.753 7.887 -0.134 25284 957 1 2 . 1 1 85 85 ALA N N 85 124.256 124.256 121.820 2.436 25284 958 1 2 . 1 1 85 85 ALA HA H 85 4.471 4.471 4.399 0.072 25284 959 1 2 . 1 1 85 85 ALA C C 85 176.625 176.625 177.321 -0.696 25284 960 1 2 . 1 1 85 85 ALA CA C 85 52.679 52.679 52.700 -0.021 25284 961 1 2 . 1 1 85 85 ALA CB C 85 19.702 19.702 19.861 -0.159 25284 962 1 2 . 1 1 85 85 ALA H H 85 7.832 7.832 7.557 0.275 25284 963 1 3 . 1 1 2 2 ALA HA H 2 4.279 4.279 4.732 -0.453 25284 964 1 3 . 1 1 2 2 ALA C C 2 173.785 173.785 176.208 -2.423 25284 965 1 3 . 1 1 2 2 ALA CA C 2 52.136 52.136 52.225 -0.089 25284 966 1 3 . 1 1 2 2 ALA CB C 2 20.083 20.083 20.110 -0.027 25284 967 1 3 . 1 1 3 3 THR N N 3 117.799 117.799 113.847 3.952 25284 968 1 3 . 1 1 3 3 THR HA H 3 4.398 4.398 4.472 -0.074 25284 969 1 3 . 1 1 3 3 THR C C 3 172.979 172.979 173.906 -0.927 25284 970 1 3 . 1 1 3 3 THR CA C 3 62.907 62.907 62.142 0.765 25284 971 1 3 . 1 1 3 3 THR CB C 3 70.082 70.082 69.086 0.996 25284 972 1 3 . 1 1 3 3 THR H H 3 8.703 8.703 8.262 0.441 25284 973 1 3 . 1 1 4 4 LEU N N 4 124.656 124.656 124.016 0.640 25284 974 1 3 . 1 1 4 4 LEU HA H 4 4.373 4.373 4.382 -0.009 25284 975 1 3 . 1 1 4 4 LEU C C 4 177.215 177.215 175.707 1.508 25284 976 1 3 . 1 1 4 4 LEU CA C 4 54.852 54.852 54.768 0.084 25284 977 1 3 . 1 1 4 4 LEU CB C 4 42.864 42.864 43.261 -0.397 25284 978 1 3 . 1 1 4 4 LEU H H 4 8.155 8.155 7.764 0.391 25284 979 1 3 . 1 1 5 5 LEU N N 5 124.772 124.772 128.469 -3.697 25284 980 1 3 . 1 1 5 5 LEU HA H 5 4.530 4.530 4.338 0.192 25284 981 1 3 . 1 1 5 5 LEU C C 5 177.915 177.915 176.176 1.739 25284 982 1 3 . 1 1 5 5 LEU CA C 5 55.564 55.564 54.717 0.847 25284 983 1 3 . 1 1 5 5 LEU CB C 5 42.806 42.806 41.915 0.891 25284 984 1 3 . 1 1 5 5 LEU H H 5 9.421 9.421 8.194 1.227 25284 985 1 3 . 1 1 6 6 THR N N 6 115.077 115.077 117.150 -2.073 25284 986 1 3 . 1 1 6 6 THR HA H 6 4.745 4.745 4.660 0.085 25284 987 1 3 . 1 1 6 6 THR C C 6 175.958 175.958 175.359 0.599 25284 988 1 3 . 1 1 6 6 THR CA C 6 60.159 60.159 60.071 0.088 25284 989 1 3 . 1 1 6 6 THR CB C 6 72.442 72.442 70.168 2.274 25284 990 1 3 . 1 1 6 6 THR H H 6 9.006 9.006 7.995 1.011 25284 991 1 3 . 1 1 7 7 THR N N 7 115.895 115.895 116.341 -0.446 25284 992 1 3 . 1 1 7 7 THR HA H 7 3.867 3.867 3.943 -0.076 25284 993 1 3 . 1 1 7 7 THR C C 7 176.622 176.622 175.882 0.740 25284 994 1 3 . 1 1 7 7 THR CA C 7 67.331 67.331 67.201 0.130 25284 995 1 3 . 1 1 7 7 THR CB C 7 68.496 68.496 68.032 0.464 25284 996 1 3 . 1 1 7 7 THR H H 7 8.864 8.864 8.565 0.299 25284 997 1 3 . 1 1 8 8 ASP N N 8 120.253 120.253 118.366 1.887 25284 998 1 3 . 1 1 8 8 ASP HA H 8 4.629 4.629 4.412 0.217 25284 999 1 3 . 1 1 8 8 ASP C C 8 178.593 178.593 177.961 0.632 25284 1000 1 3 . 1 1 8 8 ASP CA C 8 57.740 57.740 56.885 0.855 25284 1001 1 3 . 1 1 8 8 ASP CB C 8 41.273 41.273 39.824 1.449 25284 1002 1 3 . 1 1 8 8 ASP H H 8 8.289 8.289 8.624 -0.335 25284 1003 1 3 . 1 1 9 9 ASP N N 9 120.653 120.653 119.213 1.440 25284 1004 1 3 . 1 1 9 9 ASP HA H 9 4.560 4.560 4.612 -0.052 25284 1005 1 3 . 1 1 9 9 ASP C C 9 179.465 179.465 178.014 1.451 25284 1006 1 3 . 1 1 9 9 ASP CA C 9 57.608 57.608 56.209 1.399 25284 1007 1 3 . 1 1 9 9 ASP CB C 9 41.559 41.559 41.571 -0.012 25284 1008 1 3 . 1 1 9 9 ASP H H 9 7.916 7.916 7.779 0.137 25284 1009 1 3 . 1 1 10 10 LEU N N 10 121.585 121.585 122.128 -0.543 25284 1010 1 3 . 1 1 10 10 LEU HA H 10 4.216 4.216 4.112 0.104 25284 1011 1 3 . 1 1 10 10 LEU C C 10 177.517 177.517 178.217 -0.700 25284 1012 1 3 . 1 1 10 10 LEU CA C 10 58.031 58.031 57.517 0.514 25284 1013 1 3 . 1 1 10 10 LEU CB C 10 42.146 42.146 42.062 0.084 25284 1014 1 3 . 1 1 10 10 LEU H H 10 8.086 8.086 7.580 0.506 25284 1015 1 3 . 1 1 11 11 ARG N N 11 120.099 120.099 118.072 2.027 25284 1016 1 3 . 1 1 11 11 ARG HA H 11 3.514 3.514 3.897 -0.383 25284 1017 1 3 . 1 1 11 11 ARG C C 11 177.769 177.769 177.935 -0.166 25284 1018 1 3 . 1 1 11 11 ARG CA C 11 60.715 60.715 59.297 1.418 25284 1019 1 3 . 1 1 11 11 ARG CB C 11 30.775 30.775 30.362 0.413 25284 1020 1 3 . 1 1 11 11 ARG H H 11 8.852 8.852 8.407 0.445 25284 1021 1 3 . 1 1 12 12 ARG N N 12 115.840 115.840 118.159 -2.319 25284 1022 1 3 . 1 1 12 12 ARG HA H 12 4.032 4.032 4.233 -0.201 25284 1023 1 3 . 1 1 12 12 ARG C C 12 178.492 178.492 178.089 0.403 25284 1024 1 3 . 1 1 12 12 ARG CA C 12 59.592 59.592 58.666 0.926 25284 1025 1 3 . 1 1 12 12 ARG CB C 12 30.583 30.583 30.539 0.044 25284 1026 1 3 . 1 1 12 12 ARG H H 12 7.996 7.996 7.630 0.366 25284 1027 1 3 . 1 1 13 13 ALA N N 13 120.184 120.184 123.661 -3.477 25284 1028 1 3 . 1 1 13 13 ALA HA H 13 4.401 4.401 4.162 0.239 25284 1029 1 3 . 1 1 13 13 ALA C C 13 180.114 180.114 179.645 0.469 25284 1030 1 3 . 1 1 13 13 ALA CA C 13 54.938 54.938 55.093 -0.155 25284 1031 1 3 . 1 1 13 13 ALA CB C 13 18.756 18.756 18.451 0.305 25284 1032 1 3 . 1 1 13 13 ALA H H 13 7.705 7.705 8.249 -0.544 25284 1033 1 3 . 1 1 14 14 LEU N N 14 119.427 119.427 118.270 1.157 25284 1034 1 3 . 1 1 14 14 LEU HA H 14 4.424 4.424 4.170 0.254 25284 1035 1 3 . 1 1 14 14 LEU C C 14 179.766 179.766 178.398 1.368 25284 1036 1 3 . 1 1 14 14 LEU CA C 14 57.568 57.568 56.981 0.587 25284 1037 1 3 . 1 1 14 14 LEU CB C 14 42.039 42.039 41.760 0.279 25284 1038 1 3 . 1 1 14 14 LEU H H 14 8.424 8.424 8.488 -0.064 25284 1039 1 3 . 1 1 15 15 VAL N N 15 121.004 121.004 120.148 0.856 25284 1040 1 3 . 1 1 15 15 VAL HA H 15 3.920 3.920 3.747 0.173 25284 1041 1 3 . 1 1 15 15 VAL C C 15 179.014 179.014 178.336 0.678 25284 1042 1 3 . 1 1 15 15 VAL CA C 15 66.259 66.259 66.394 -0.135 25284 1043 1 3 . 1 1 15 15 VAL CB C 15 32.137 32.137 31.308 0.829 25284 1044 1 3 . 1 1 15 15 VAL H H 15 8.519 8.519 7.861 0.658 25284 1045 1 3 . 1 1 16 16 GLU N N 16 119.984 119.984 119.773 0.211 25284 1046 1 3 . 1 1 16 16 GLU HA H 16 4.206 4.206 4.029 0.177 25284 1047 1 3 . 1 1 16 16 GLU C C 16 178.547 178.547 178.134 0.413 25284 1048 1 3 . 1 1 16 16 GLU CA C 16 59.042 59.042 59.283 -0.241 25284 1049 1 3 . 1 1 16 16 GLU CB C 16 29.692 29.692 29.543 0.149 25284 1050 1 3 . 1 1 16 16 GLU H H 16 8.218 8.218 8.597 -0.379 25284 1051 1 3 . 1 1 17 17 SER N N 17 113.928 113.928 112.121 1.807 25284 1052 1 3 . 1 1 17 17 SER HA H 17 4.577 4.577 4.380 0.197 25284 1053 1 3 . 1 1 17 17 SER C C 17 174.273 174.273 174.317 -0.044 25284 1054 1 3 . 1 1 17 17 SER CA C 17 59.940 59.940 59.876 0.064 25284 1055 1 3 . 1 1 17 17 SER CB C 17 64.378 64.378 63.889 0.489 25284 1056 1 3 . 1 1 17 17 SER H H 17 7.798 7.798 8.062 -0.264 25284 1057 1 3 . 1 1 18 18 ALA N N 18 123.357 123.357 122.597 0.760 25284 1058 1 3 . 1 1 18 18 ALA HA H 18 4.347 4.347 4.634 -0.287 25284 1059 1 3 . 1 1 18 18 ALA C C 18 178.292 178.292 176.876 1.416 25284 1060 1 3 . 1 1 18 18 ALA CA C 18 52.991 52.991 50.889 2.103 25284 1061 1 3 . 1 1 18 18 ALA CB C 18 19.965 19.965 21.125 -1.160 25284 1062 1 3 . 1 1 18 18 ALA H H 18 7.813 7.813 7.714 0.099 25284 1063 1 3 . 1 1 19 19 GLY N N 19 107.711 107.711 106.118 1.593 25284 1064 1 3 . 1 1 19 19 GLY C C 19 174.440 174.440 174.501 -0.061 25284 1065 1 3 . 1 1 19 19 GLY CA C 19 45.650 45.650 45.607 0.043 25284 1066 1 3 . 1 1 19 19 GLY H H 19 8.256 8.256 8.666 -0.410 25284 1067 1 3 . 1 1 20 20 GLU N N 20 120.763 120.763 117.536 3.227 25284 1068 1 3 . 1 1 20 20 GLU HA H 20 4.477 4.477 4.446 0.031 25284 1069 1 3 . 1 1 20 20 GLU C C 20 176.905 176.905 176.291 0.614 25284 1070 1 3 . 1 1 20 20 GLU CA C 20 56.896 56.896 56.041 0.855 25284 1071 1 3 . 1 1 20 20 GLU CB C 20 30.160 30.160 29.427 0.733 25284 1072 1 3 . 1 1 20 20 GLU H H 20 8.508 8.508 8.113 0.395 25284 1073 1 3 . 1 1 21 21 THR N N 21 114.316 114.316 116.026 -1.710 25284 1074 1 3 . 1 1 21 21 THR HA H 21 4.529 4.529 4.549 -0.020 25284 1075 1 3 . 1 1 21 21 THR C C 21 174.564 174.564 173.667 0.897 25284 1076 1 3 . 1 1 21 21 THR CA C 21 61.942 61.942 62.002 -0.060 25284 1077 1 3 . 1 1 21 21 THR CB C 21 70.323 70.323 69.362 0.961 25284 1078 1 3 . 1 1 21 21 THR H H 21 8.258 8.258 8.163 0.095 25284 1079 1 3 . 1 1 22 22 ASP N N 22 122.479 122.479 122.490 -0.011 25284 1080 1 3 . 1 1 22 22 ASP HA H 22 4.728 4.728 4.591 0.137 25284 1081 1 3 . 1 1 22 22 ASP C C 22 176.913 176.913 176.485 0.428 25284 1082 1 3 . 1 1 22 22 ASP CA C 22 54.806 54.806 54.909 -0.103 25284 1083 1 3 . 1 1 22 22 ASP CB C 22 41.144 41.144 39.943 1.201 25284 1084 1 3 . 1 1 22 22 ASP H H 22 8.506 8.506 8.090 0.416 25284 1085 1 3 . 1 1 23 23 GLY N N 23 109.608 109.608 113.809 -4.201 25284 1086 1 3 . 1 1 23 23 GLY C C 23 174.806 174.806 174.414 0.392 25284 1087 1 3 . 1 1 23 23 GLY CA C 23 45.969 45.969 44.980 0.989 25284 1088 1 3 . 1 1 23 23 GLY H H 23 8.503 8.503 8.160 0.343 25284 1089 1 3 . 1 1 24 24 THR N N 24 116.205 116.205 114.276 1.929 25284 1090 1 3 . 1 1 24 24 THR HA H 24 4.333 4.333 4.699 -0.366 25284 1091 1 3 . 1 1 24 24 THR C C 24 174.247 174.247 174.291 -0.044 25284 1092 1 3 . 1 1 24 24 THR CA C 24 63.240 63.240 60.365 2.875 25284 1093 1 3 . 1 1 24 24 THR CB C 24 70.056 70.056 70.129 -0.073 25284 1094 1 3 . 1 1 24 24 THR H H 24 8.152 8.152 7.733 0.419 25284 1095 1 3 . 1 1 25 25 ASP N N 25 124.096 124.096 119.626 4.470 25284 1096 1 3 . 1 1 25 25 ASP HA H 25 4.718 4.718 4.693 0.025 25284 1097 1 3 . 1 1 25 25 ASP C C 25 176.223 176.223 175.375 0.848 25284 1098 1 3 . 1 1 25 25 ASP CA C 25 54.536 54.536 53.296 1.240 25284 1099 1 3 . 1 1 25 25 ASP CB C 25 41.163 41.163 40.707 0.456 25284 1100 1 3 . 1 1 25 25 ASP H H 25 8.620 8.620 8.557 0.063 25284 1101 1 3 . 1 1 26 26 LEU N N 26 123.934 123.934 120.835 3.099 25284 1102 1 3 . 1 1 26 26 LEU HA H 26 4.365 4.365 4.214 0.151 25284 1103 1 3 . 1 1 26 26 LEU C C 26 176.356 176.356 176.791 -0.435 25284 1104 1 3 . 1 1 26 26 LEU CA C 26 54.374 54.374 55.807 -1.433 25284 1105 1 3 . 1 1 26 26 LEU CB C 26 41.235 41.235 42.244 -1.009 25284 1106 1 3 . 1 1 26 26 LEU H H 26 8.482 8.482 7.520 0.962 25284 1107 1 3 . 1 1 27 27 SER N N 27 115.330 115.330 114.113 1.217 25284 1108 1 3 . 1 1 27 27 SER HA H 27 4.300 4.300 4.515 -0.215 25284 1109 1 3 . 1 1 27 27 SER C C 27 175.077 175.077 174.862 0.215 25284 1110 1 3 . 1 1 27 27 SER CA C 27 59.917 59.917 58.799 1.118 25284 1111 1 3 . 1 1 27 27 SER CB C 27 64.229 64.229 62.523 1.706 25284 1112 1 3 . 1 1 27 27 SER H H 27 8.214 8.214 7.934 0.280 25284 1113 1 3 . 1 1 28 28 GLY N N 28 111.630 111.630 112.663 -1.033 25284 1114 1 3 . 1 1 28 28 GLY C C 28 174.303 174.303 171.651 2.652 25284 1115 1 3 . 1 1 28 28 GLY CA C 28 45.500 45.500 44.981 0.519 25284 1116 1 3 . 1 1 28 28 GLY H H 28 8.592 8.592 7.692 0.900 25284 1117 1 3 . 1 1 29 29 ASP N N 29 123.552 123.552 122.728 0.824 25284 1118 1 3 . 1 1 29 29 ASP HA H 29 4.851 4.851 4.830 0.021 25284 1119 1 3 . 1 1 29 29 ASP C C 29 176.494 176.494 175.786 0.708 25284 1120 1 3 . 1 1 29 29 ASP CA C 29 54.312 54.312 53.624 0.688 25284 1121 1 3 . 1 1 29 29 ASP CB C 29 39.771 39.771 40.180 -0.409 25284 1122 1 3 . 1 1 29 29 ASP H H 29 8.690 8.690 8.467 0.223 25284 1123 1 3 . 1 1 30 30 PHE N N 30 122.578 122.578 121.422 1.156 25284 1124 1 3 . 1 1 30 30 PHE HA H 30 4.764 4.764 4.643 0.121 25284 1125 1 3 . 1 1 30 30 PHE C C 30 175.529 175.529 175.586 -0.057 25284 1126 1 3 . 1 1 30 30 PHE CA C 30 57.493 57.493 56.623 0.870 25284 1127 1 3 . 1 1 30 30 PHE CB C 30 40.639 40.639 38.325 2.314 25284 1128 1 3 . 1 1 30 30 PHE H H 30 8.076 8.076 7.754 0.322 25284 1129 1 3 . 1 1 31 31 LEU N N 31 119.188 119.188 121.136 -1.948 25284 1130 1 3 . 1 1 31 31 LEU HA H 31 3.302 3.302 3.962 -0.660 25284 1131 1 3 . 1 1 31 31 LEU C C 31 176.503 176.503 177.178 -0.675 25284 1132 1 3 . 1 1 31 31 LEU CA C 31 57.940 57.940 56.669 1.271 25284 1133 1 3 . 1 1 31 31 LEU CB C 31 42.218 42.218 40.569 1.649 25284 1134 1 3 . 1 1 31 31 LEU H H 31 7.535 7.535 7.586 -0.051 25284 1135 1 3 . 1 1 32 32 ASP N N 32 112.101 112.101 116.771 -4.670 25284 1136 1 3 . 1 1 32 32 ASP HA H 32 5.047 5.047 4.663 0.384 25284 1137 1 3 . 1 1 32 32 ASP C C 32 176.064 176.064 176.007 0.057 25284 1138 1 3 . 1 1 32 32 ASP CA C 32 53.755 53.755 54.169 -0.414 25284 1139 1 3 . 1 1 32 32 ASP CB C 32 41.824 41.824 41.372 0.452 25284 1140 1 3 . 1 1 32 32 ASP H H 32 8.087 8.087 7.762 0.325 25284 1141 1 3 . 1 1 33 33 LEU N N 33 122.380 122.380 120.840 1.540 25284 1142 1 3 . 1 1 33 33 LEU HA H 33 4.309 4.309 4.604 -0.295 25284 1143 1 3 . 1 1 33 33 LEU C C 33 174.879 174.879 174.725 0.154 25284 1144 1 3 . 1 1 33 33 LEU CA C 33 54.566 54.566 53.693 0.873 25284 1145 1 3 . 1 1 33 33 LEU CB C 33 42.528 42.528 45.314 -2.786 25284 1146 1 3 . 1 1 33 33 LEU H H 33 7.222 7.222 7.320 -0.098 25284 1147 1 3 . 1 1 34 34 ARG N N 34 116.439 116.439 119.890 -3.451 25284 1148 1 3 . 1 1 34 34 ARG HA H 34 4.725 4.725 4.762 -0.037 25284 1149 1 3 . 1 1 34 34 ARG C C 34 179.778 179.778 177.564 2.214 25284 1150 1 3 . 1 1 34 34 ARG CA C 34 55.536 55.536 54.293 1.243 25284 1151 1 3 . 1 1 34 34 ARG CB C 34 30.173 30.173 32.123 -1.950 25284 1152 1 3 . 1 1 34 34 ARG H H 34 8.487 8.487 8.330 0.157 25284 1153 1 3 . 1 1 35 35 PHE N N 35 123.548 123.548 120.517 3.031 25284 1154 1 3 . 1 1 35 35 PHE HA H 35 4.385 4.385 4.145 0.240 25284 1155 1 3 . 1 1 35 35 PHE C C 35 178.776 178.776 177.414 1.362 25284 1156 1 3 . 1 1 35 35 PHE CA C 35 63.121 63.121 62.689 0.432 25284 1157 1 3 . 1 1 35 35 PHE CB C 35 37.967 37.967 38.883 -0.916 25284 1158 1 3 . 1 1 35 35 PHE H H 35 8.455 8.455 8.302 0.153 25284 1159 1 3 . 1 1 36 36 GLU N N 36 117.380 117.380 117.030 0.350 25284 1160 1 3 . 1 1 36 36 GLU HA H 36 4.358 4.358 4.147 0.211 25284 1161 1 3 . 1 1 36 36 GLU C C 36 178.612 178.612 177.678 0.934 25284 1162 1 3 . 1 1 36 36 GLU CA C 36 59.145 59.145 58.401 0.744 25284 1163 1 3 . 1 1 36 36 GLU CB C 36 29.301 29.301 28.822 0.479 25284 1164 1 3 . 1 1 36 36 GLU H H 36 9.560 9.560 8.903 0.657 25284 1165 1 3 . 1 1 37 37 ASP N N 37 118.596 118.596 120.588 -1.992 25284 1166 1 3 . 1 1 37 37 ASP HA H 37 4.810 4.810 4.493 0.317 25284 1167 1 3 . 1 1 37 37 ASP C C 37 177.993 177.993 177.578 0.415 25284 1168 1 3 . 1 1 37 37 ASP CA C 37 56.474 56.474 56.716 -0.242 25284 1169 1 3 . 1 1 37 37 ASP CB C 37 41.411 41.411 40.941 0.470 25284 1170 1 3 . 1 1 37 37 ASP H H 37 7.546 7.546 7.569 -0.023 25284 1171 1 3 . 1 1 38 38 ILE N N 38 113.080 113.080 112.978 0.102 25284 1172 1 3 . 1 1 38 38 ILE HA H 38 4.663 4.663 4.450 0.213 25284 1173 1 3 . 1 1 38 38 ILE C C 38 176.140 176.140 175.981 0.159 25284 1174 1 3 . 1 1 38 38 ILE CA C 38 62.038 62.038 60.759 1.279 25284 1175 1 3 . 1 1 38 38 ILE CB C 38 38.755 38.755 36.814 1.941 25284 1176 1 3 . 1 1 38 38 ILE H H 38 7.725 7.725 7.269 0.456 25284 1177 1 3 . 1 1 39 39 GLY N N 39 107.376 107.376 107.599 -0.223 25284 1178 1 3 . 1 1 39 39 GLY C C 39 174.497 174.497 174.628 -0.131 25284 1179 1 3 . 1 1 39 39 GLY CA C 39 46.580 46.580 45.510 1.070 25284 1180 1 3 . 1 1 39 39 GLY H H 39 7.736 7.736 7.597 0.139 25284 1181 1 3 . 1 1 40 40 TYR N N 40 121.883 121.883 121.560 0.323 25284 1182 1 3 . 1 1 40 40 TYR HA H 40 4.583 4.583 4.449 0.134 25284 1183 1 3 . 1 1 40 40 TYR C C 40 174.479 174.479 174.934 -0.455 25284 1184 1 3 . 1 1 40 40 TYR CA C 40 58.153 58.153 60.068 -1.915 25284 1185 1 3 . 1 1 40 40 TYR CB C 40 40.535 40.535 38.566 1.968 25284 1186 1 3 . 1 1 40 40 TYR H H 40 8.059 8.059 8.338 -0.279 25284 1187 1 3 . 1 1 41 41 ASP N N 41 124.021 124.021 123.687 0.334 25284 1188 1 3 . 1 1 41 41 ASP HA H 41 4.739 4.739 4.848 -0.109 25284 1189 1 3 . 1 1 41 41 ASP C C 41 175.831 175.831 177.112 -1.281 25284 1190 1 3 . 1 1 41 41 ASP CA C 41 52.669 52.669 52.428 0.240 25284 1191 1 3 . 1 1 41 41 ASP CB C 41 42.015 42.015 44.128 -2.113 25284 1192 1 3 . 1 1 41 41 ASP H H 41 7.992 7.992 8.123 -0.131 25284 1193 1 3 . 1 1 42 42 SER N N 42 114.198 114.198 116.561 -2.363 25284 1194 1 3 . 1 1 42 42 SER HA H 42 4.272 4.272 4.200 0.072 25284 1195 1 3 . 1 1 42 42 SER C C 42 176.102 176.102 176.811 -0.709 25284 1196 1 3 . 1 1 42 42 SER CA C 42 60.657 60.657 61.423 -0.766 25284 1197 1 3 . 1 1 42 42 SER CB C 42 66.110 66.110 62.872 3.238 25284 1198 1 3 . 1 1 43 43 LEU N N 43 124.254 124.254 122.970 1.284 25284 1199 1 3 . 1 1 43 43 LEU HA H 43 4.269 4.269 4.031 0.238 25284 1200 1 3 . 1 1 43 43 LEU C C 43 179.140 179.140 178.934 0.206 25284 1201 1 3 . 1 1 43 43 LEU CA C 43 58.567 58.567 57.728 0.839 25284 1202 1 3 . 1 1 43 43 LEU CB C 43 41.178 41.178 41.327 -0.149 25284 1203 1 3 . 1 1 43 43 LEU H H 43 7.792 7.792 8.119 -0.327 25284 1204 1 3 . 1 1 44 44 ALA N N 44 123.473 123.473 121.231 2.242 25284 1205 1 3 . 1 1 44 44 ALA HA H 44 4.318 4.318 4.233 0.085 25284 1206 1 3 . 1 1 44 44 ALA C C 44 181.903 181.903 179.929 1.974 25284 1207 1 3 . 1 1 44 44 ALA CA C 44 55.068 55.068 54.566 0.502 25284 1208 1 3 . 1 1 44 44 ALA CB C 44 18.556 18.556 18.302 0.254 25284 1209 1 3 . 1 1 44 44 ALA H H 44 8.140 8.140 7.852 0.288 25284 1210 1 3 . 1 1 45 45 LEU N N 45 121.524 121.524 120.122 1.402 25284 1211 1 3 . 1 1 45 45 LEU HA H 45 3.898 3.898 4.358 -0.460 25284 1212 1 3 . 1 1 45 45 LEU C C 45 179.040 179.040 178.593 0.447 25284 1213 1 3 . 1 1 45 45 LEU CA C 45 58.475 58.475 56.740 1.735 25284 1214 1 3 . 1 1 45 45 LEU CB C 45 41.780 41.780 41.485 0.295 25284 1215 1 3 . 1 1 45 45 LEU H H 45 8.442 8.442 7.855 0.587 25284 1216 1 3 . 1 1 46 46 MET N N 46 119.769 119.769 119.001 0.768 25284 1217 1 3 . 1 1 46 46 MET HA H 46 4.265 4.265 3.989 0.276 25284 1218 1 3 . 1 1 46 46 MET C C 46 180.609 180.609 178.647 1.962 25284 1219 1 3 . 1 1 46 46 MET CA C 46 58.853 58.853 59.965 -1.112 25284 1220 1 3 . 1 1 46 46 MET CB C 46 32.119 32.119 32.016 0.103 25284 1221 1 3 . 1 1 46 46 MET H H 46 8.234 8.234 7.740 0.494 25284 1222 1 3 . 1 1 47 47 GLU N N 47 121.097 121.097 119.724 1.373 25284 1223 1 3 . 1 1 47 47 GLU HA H 47 4.228 4.228 3.977 0.251 25284 1224 1 3 . 1 1 47 47 GLU C C 47 179.333 179.333 179.233 0.100 25284 1225 1 3 . 1 1 47 47 GLU CA C 47 59.644 59.644 59.828 -0.184 25284 1226 1 3 . 1 1 47 47 GLU CB C 47 28.977 28.977 29.564 -0.587 25284 1227 1 3 . 1 1 47 47 GLU H H 47 8.517 8.517 8.238 0.279 25284 1228 1 3 . 1 1 48 48 THR N N 48 118.834 118.834 116.993 1.841 25284 1229 1 3 . 1 1 48 48 THR HA H 48 3.961 3.961 4.001 -0.040 25284 1230 1 3 . 1 1 48 48 THR C C 48 176.348 176.348 176.380 -0.032 25284 1231 1 3 . 1 1 48 48 THR CA C 48 67.842 67.842 66.668 1.174 25284 1232 1 3 . 1 1 48 48 THR CB C 48 68.056 68.056 68.895 -0.839 25284 1233 1 3 . 1 1 48 48 THR H H 48 8.325 8.325 8.192 0.133 25284 1234 1 3 . 1 1 49 49 ALA N N 49 123.924 123.924 123.021 0.903 25284 1235 1 3 . 1 1 49 49 ALA HA H 49 3.926 3.926 4.028 -0.102 25284 1236 1 3 . 1 1 49 49 ALA C C 49 178.608 178.608 179.299 -0.691 25284 1237 1 3 . 1 1 49 49 ALA CA C 49 56.247 56.247 54.995 1.252 25284 1238 1 3 . 1 1 49 49 ALA CB C 49 17.569 17.569 18.136 -0.567 25284 1239 1 3 . 1 1 49 49 ALA H H 49 8.747 8.747 8.057 0.690 25284 1240 1 3 . 1 1 50 50 ALA N N 50 119.691 119.691 121.759 -2.068 25284 1241 1 3 . 1 1 50 50 ALA HA H 50 4.269 4.269 4.406 -0.137 25284 1242 1 3 . 1 1 50 50 ALA C C 50 181.310 181.310 179.368 1.942 25284 1243 1 3 . 1 1 50 50 ALA CA C 50 55.422 55.422 54.791 0.631 25284 1244 1 3 . 1 1 50 50 ALA CB C 50 18.171 18.171 18.216 -0.045 25284 1245 1 3 . 1 1 50 50 ALA H H 50 8.245 8.245 8.354 -0.109 25284 1246 1 3 . 1 1 51 51 ARG N N 51 119.913 119.913 118.249 1.664 25284 1247 1 3 . 1 1 51 51 ARG HA H 51 4.247 4.247 4.153 0.094 25284 1248 1 3 . 1 1 51 51 ARG C C 51 179.808 179.808 178.749 1.059 25284 1249 1 3 . 1 1 51 51 ARG CA C 51 59.673 59.673 58.736 0.937 25284 1250 1 3 . 1 1 51 51 ARG CB C 51 30.539 30.539 29.951 0.588 25284 1251 1 3 . 1 1 51 51 ARG H H 51 8.129 8.129 7.885 0.244 25284 1252 1 3 . 1 1 52 52 LEU N N 52 120.624 120.624 119.386 1.238 25284 1253 1 3 . 1 1 52 52 LEU HA H 52 4.319 4.319 4.392 -0.073 25284 1254 1 3 . 1 1 52 52 LEU C C 52 179.192 179.192 178.981 0.211 25284 1255 1 3 . 1 1 52 52 LEU CA C 52 58.253 58.253 57.474 0.778 25284 1256 1 3 . 1 1 52 52 LEU CB C 52 42.812 42.812 41.859 0.953 25284 1257 1 3 . 1 1 52 52 LEU H H 52 8.423 8.423 7.726 0.697 25284 1258 1 3 . 1 1 53 53 GLU N N 53 119.779 119.779 120.966 -1.187 25284 1259 1 3 . 1 1 53 53 GLU HA H 53 4.108 4.108 3.950 0.158 25284 1260 1 3 . 1 1 53 53 GLU C C 53 179.388 179.388 179.449 -0.061 25284 1261 1 3 . 1 1 53 53 GLU CA C 53 60.211 60.211 60.298 -0.088 25284 1262 1 3 . 1 1 53 53 GLU CB C 53 29.143 29.143 29.469 -0.326 25284 1263 1 3 . 1 1 53 53 GLU H H 53 8.974 8.974 8.796 0.178 25284 1264 1 3 . 1 1 54 54 SER N N 54 113.169 113.169 113.772 -0.603 25284 1265 1 3 . 1 1 54 54 SER HA H 54 4.384 4.384 4.311 0.073 25284 1266 1 3 . 1 1 54 54 SER C C 54 176.953 176.953 175.625 1.328 25284 1267 1 3 . 1 1 54 54 SER CA C 54 61.279 61.279 61.733 -0.454 25284 1268 1 3 . 1 1 54 54 SER CB C 54 63.402 63.402 63.156 0.246 25284 1269 1 3 . 1 1 54 54 SER H H 54 8.037 8.037 8.279 -0.242 25284 1270 1 3 . 1 1 55 55 ARG N N 55 120.851 120.851 120.047 0.804 25284 1271 1 3 . 1 1 55 55 ARG HA H 55 4.100 4.100 4.213 -0.113 25284 1272 1 3 . 1 1 55 55 ARG C C 55 177.905 177.905 177.636 0.269 25284 1273 1 3 . 1 1 55 55 ARG CA C 55 58.949 58.949 58.219 0.730 25284 1274 1 3 . 1 1 55 55 ARG CB C 55 30.896 30.896 30.868 0.028 25284 1275 1 3 . 1 1 55 55 ARG H H 55 8.099 8.099 7.577 0.522 25284 1276 1 3 . 1 1 56 56 TYR N N 56 113.669 113.669 116.272 -2.603 25284 1277 1 3 . 1 1 56 56 TYR HA H 56 4.687 4.687 4.584 0.103 25284 1278 1 3 . 1 1 56 56 TYR C C 56 176.069 176.069 176.436 -0.367 25284 1279 1 3 . 1 1 56 56 TYR CA C 56 59.055 59.055 58.587 0.468 25284 1280 1 3 . 1 1 56 56 TYR CB C 56 39.465 39.465 39.782 -0.317 25284 1281 1 3 . 1 1 56 56 TYR H H 56 8.158 8.158 8.182 -0.024 25284 1282 1 3 . 1 1 57 57 GLY N N 57 109.856 109.856 108.756 1.100 25284 1283 1 3 . 1 1 57 57 GLY C C 57 174.642 174.642 173.775 0.867 25284 1284 1 3 . 1 1 57 57 GLY CA C 57 47.476 47.476 44.924 2.552 25284 1285 1 3 . 1 1 57 57 GLY H H 57 7.982 7.982 8.298 -0.316 25284 1286 1 3 . 1 1 58 58 VAL N N 58 112.572 112.572 113.967 -1.395 25284 1287 1 3 . 1 1 58 58 VAL HA H 58 4.676 4.676 4.628 0.048 25284 1288 1 3 . 1 1 58 58 VAL C C 58 174.069 174.069 173.211 0.858 25284 1289 1 3 . 1 1 58 58 VAL CA C 58 59.313 59.313 59.219 0.093 25284 1290 1 3 . 1 1 58 58 VAL CB C 58 34.744 34.744 34.527 0.217 25284 1291 1 3 . 1 1 58 58 VAL H H 58 7.497 7.497 7.575 -0.078 25284 1292 1 3 . 1 1 59 59 SER N N 59 117.179 117.179 114.269 2.910 25284 1293 1 3 . 1 1 59 59 SER HA H 59 4.846 4.846 5.108 -0.262 25284 1294 1 3 . 1 1 59 59 SER C C 59 173.699 173.699 173.116 0.583 25284 1295 1 3 . 1 1 59 59 SER CA C 59 57.401 57.401 57.857 -0.456 25284 1296 1 3 . 1 1 59 59 SER CB C 59 64.502 64.502 64.862 -0.360 25284 1297 1 3 . 1 1 59 59 SER H H 59 8.489 8.489 8.073 0.416 25284 1298 1 3 . 1 1 60 60 ILE N N 60 125.858 125.858 125.916 -0.058 25284 1299 1 3 . 1 1 60 60 ILE HA H 60 4.651 4.651 4.390 0.261 25284 1300 1 3 . 1 1 60 60 ILE CA C 60 57.694 57.694 58.581 -0.887 25284 1301 1 3 . 1 1 60 60 ILE CB C 60 40.500 40.500 39.833 0.667 25284 1302 1 3 . 1 1 60 60 ILE H H 60 8.222 8.222 9.310 -1.088 25284 1303 1 3 . 1 1 61 61 PRO HA H 61 4.530 4.530 4.525 0.005 25284 1304 1 3 . 1 1 61 61 PRO C C 61 177.512 177.512 177.085 0.427 25284 1305 1 3 . 1 1 61 61 PRO CA C 61 63.561 63.561 62.338 1.223 25284 1306 1 3 . 1 1 61 61 PRO CB C 61 32.770 32.770 32.436 0.334 25284 1307 1 3 . 1 1 62 62 ASP N N 62 123.459 123.459 122.148 1.311 25284 1308 1 3 . 1 1 62 62 ASP HA H 62 4.449 4.449 4.213 0.236 25284 1309 1 3 . 1 1 62 62 ASP C C 62 177.284 177.284 178.150 -0.866 25284 1310 1 3 . 1 1 62 62 ASP CA C 62 57.112 57.112 57.322 -0.210 25284 1311 1 3 . 1 1 62 62 ASP CB C 62 40.740 40.740 40.511 0.229 25284 1312 1 3 . 1 1 62 62 ASP H H 62 8.831 8.831 8.663 0.168 25284 1313 1 3 . 1 1 63 63 ASP N N 63 116.794 116.794 118.466 -1.672 25284 1314 1 3 . 1 1 63 63 ASP HA H 63 4.529 4.529 4.412 0.117 25284 1315 1 3 . 1 1 63 63 ASP C C 63 177.294 177.294 177.021 0.273 25284 1316 1 3 . 1 1 63 63 ASP CA C 63 54.956 54.956 56.519 -1.563 25284 1317 1 3 . 1 1 63 63 ASP CB C 63 39.687 39.687 40.835 -1.148 25284 1318 1 3 . 1 1 63 63 ASP H H 63 8.617 8.617 8.370 0.247 25284 1319 1 3 . 1 1 64 64 VAL N N 64 119.209 119.209 119.416 -0.207 25284 1320 1 3 . 1 1 64 64 VAL HA H 64 3.812 3.812 3.912 -0.100 25284 1321 1 3 . 1 1 64 64 VAL C C 64 177.556 177.556 177.925 -0.369 25284 1322 1 3 . 1 1 64 64 VAL CA C 64 65.179 65.179 64.393 0.786 25284 1323 1 3 . 1 1 64 64 VAL CB C 64 32.413 32.413 32.189 0.224 25284 1324 1 3 . 1 1 64 64 VAL H H 64 7.407 7.407 7.503 -0.096 25284 1325 1 3 . 1 1 65 65 ALA N N 65 122.418 122.418 123.728 -1.310 25284 1326 1 3 . 1 1 65 65 ALA HA H 65 3.987 3.987 3.981 0.006 25284 1327 1 3 . 1 1 65 65 ALA C C 65 177.994 177.994 178.946 -0.952 25284 1328 1 3 . 1 1 65 65 ALA CA C 65 54.842 54.842 54.738 0.104 25284 1329 1 3 . 1 1 65 65 ALA CB C 65 18.522 18.522 18.504 0.018 25284 1330 1 3 . 1 1 65 65 ALA H H 65 8.246 8.246 8.258 -0.012 25284 1331 1 3 . 1 1 66 66 GLY N N 66 100.378 100.378 103.542 -3.164 25284 1332 1 3 . 1 1 66 66 GLY C C 66 174.387 174.387 174.732 -0.345 25284 1333 1 3 . 1 1 66 66 GLY CA C 66 46.015 46.015 45.179 0.836 25284 1334 1 3 . 1 1 66 66 GLY H H 66 8.021 8.021 8.012 0.009 25284 1335 1 3 . 1 1 67 67 ARG N N 67 116.838 116.838 118.479 -1.641 25284 1336 1 3 . 1 1 67 67 ARG HA H 67 4.623 4.623 4.473 0.150 25284 1337 1 3 . 1 1 67 67 ARG C C 67 176.509 176.509 176.346 0.163 25284 1338 1 3 . 1 1 67 67 ARG CA C 67 55.883 55.883 55.800 0.083 25284 1339 1 3 . 1 1 67 67 ARG CB C 67 31.911 31.911 31.674 0.237 25284 1340 1 3 . 1 1 67 67 ARG H H 67 7.483 7.483 7.688 -0.205 25284 1341 1 3 . 1 1 68 68 VAL N N 68 114.649 114.649 116.937 -2.288 25284 1342 1 3 . 1 1 68 68 VAL HA H 68 4.468 4.468 4.037 0.431 25284 1343 1 3 . 1 1 68 68 VAL C C 68 175.192 175.192 175.096 0.096 25284 1344 1 3 . 1 1 68 68 VAL CA C 68 61.819 61.819 62.142 -0.323 25284 1345 1 3 . 1 1 68 68 VAL CB C 68 33.624 33.624 32.802 0.822 25284 1346 1 3 . 1 1 68 68 VAL H H 68 7.284 7.284 7.373 -0.089 25284 1347 1 3 . 1 1 69 69 ASP N N 69 120.972 120.972 123.397 -2.425 25284 1348 1 3 . 1 1 69 69 ASP HA H 69 5.264 5.264 4.858 0.406 25284 1349 1 3 . 1 1 69 69 ASP C C 69 176.970 176.970 176.083 0.887 25284 1350 1 3 . 1 1 69 69 ASP CA C 69 55.811 55.811 56.074 -0.263 25284 1351 1 3 . 1 1 69 69 ASP CB C 69 44.441 44.441 43.272 1.169 25284 1352 1 3 . 1 1 69 69 ASP H H 69 9.167 9.167 9.401 -0.234 25284 1353 1 3 . 1 1 70 70 THR N N 70 108.311 108.311 111.975 -3.664 25284 1354 1 3 . 1 1 70 70 THR HA H 70 4.939 4.939 5.072 -0.133 25284 1355 1 3 . 1 1 70 70 THR CA C 70 57.823 57.823 58.862 -1.039 25284 1356 1 3 . 1 1 70 70 THR CB C 70 71.412 71.412 70.338 1.075 25284 1357 1 3 . 1 1 70 70 THR H H 70 7.477 7.477 8.840 -1.363 25284 1358 1 3 . 1 1 71 71 PRO HA H 71 4.235 4.235 4.398 -0.163 25284 1359 1 3 . 1 1 71 71 PRO C C 71 177.422 177.422 177.794 -0.372 25284 1360 1 3 . 1 1 71 71 PRO CA C 71 66.002 66.002 65.505 0.497 25284 1361 1 3 . 1 1 71 71 PRO CB C 71 32.686 32.686 31.458 1.228 25284 1362 1 3 . 1 1 72 72 ARG N N 72 117.972 117.972 116.003 1.969 25284 1363 1 3 . 1 1 72 72 ARG HA H 72 3.609 3.609 4.036 -0.427 25284 1364 1 3 . 1 1 72 72 ARG C C 72 177.616 177.616 178.050 -0.434 25284 1365 1 3 . 1 1 72 72 ARG CA C 72 60.243 60.243 59.031 1.212 25284 1366 1 3 . 1 1 72 72 ARG CB C 72 30.524 30.524 28.956 1.567 25284 1367 1 3 . 1 1 72 72 ARG H H 72 9.016 9.016 8.680 0.336 25284 1368 1 3 . 1 1 73 73 GLU N N 73 116.790 116.790 119.800 -3.010 25284 1369 1 3 . 1 1 73 73 GLU HA H 73 4.242 4.242 4.177 0.065 25284 1370 1 3 . 1 1 73 73 GLU C C 73 180.200 180.200 178.656 1.544 25284 1371 1 3 . 1 1 73 73 GLU CA C 73 59.226 59.226 58.606 0.620 25284 1372 1 3 . 1 1 73 73 GLU CB C 73 30.069 30.069 29.508 0.561 25284 1373 1 3 . 1 1 73 73 GLU H H 73 7.838 7.838 7.931 -0.093 25284 1374 1 3 . 1 1 74 74 LEU N N 74 120.656 120.656 122.235 -1.579 25284 1375 1 3 . 1 1 74 74 LEU HA H 74 4.313 4.313 4.145 0.168 25284 1376 1 3 . 1 1 74 74 LEU C C 74 177.023 177.023 177.990 -0.967 25284 1377 1 3 . 1 1 74 74 LEU CA C 74 58.179 58.179 57.322 0.857 25284 1378 1 3 . 1 1 74 74 LEU CB C 74 42.292 42.292 41.336 0.956 25284 1379 1 3 . 1 1 74 74 LEU H H 74 7.703 7.703 7.740 -0.037 25284 1380 1 3 . 1 1 75 75 LEU N N 75 121.434 121.434 119.859 1.575 25284 1381 1 3 . 1 1 75 75 LEU HA H 75 3.894 3.894 3.922 -0.028 25284 1382 1 3 . 1 1 75 75 LEU C C 75 178.169 178.169 178.946 -0.777 25284 1383 1 3 . 1 1 75 75 LEU CA C 75 58.562 58.562 58.654 -0.092 25284 1384 1 3 . 1 1 75 75 LEU CB C 75 42.408 42.408 40.255 2.152 25284 1385 1 3 . 1 1 75 75 LEU H H 75 8.743 8.743 8.128 0.615 25284 1386 1 3 . 1 1 76 76 ASP N N 76 117.849 117.849 119.723 -1.874 25284 1387 1 3 . 1 1 76 76 ASP HA H 76 4.488 4.488 4.360 0.128 25284 1388 1 3 . 1 1 76 76 ASP C C 76 180.127 180.127 178.790 1.337 25284 1389 1 3 . 1 1 76 76 ASP CA C 76 57.487 57.487 57.431 0.056 25284 1390 1 3 . 1 1 76 76 ASP CB C 76 40.085 40.085 40.844 -0.759 25284 1391 1 3 . 1 1 76 76 ASP H H 76 8.711 8.711 7.636 1.075 25284 1392 1 3 . 1 1 77 77 LEU N N 77 123.252 123.252 120.325 2.927 25284 1393 1 3 . 1 1 77 77 LEU HA H 77 4.303 4.303 3.906 0.397 25284 1394 1 3 . 1 1 77 77 LEU C C 77 180.621 180.621 179.251 1.370 25284 1395 1 3 . 1 1 77 77 LEU CA C 77 58.439 58.439 58.022 0.417 25284 1396 1 3 . 1 1 77 77 LEU CB C 77 42.905 42.905 41.771 1.134 25284 1397 1 3 . 1 1 77 77 LEU H H 77 8.009 8.009 7.967 0.042 25284 1398 1 3 . 1 1 78 78 ILE N N 78 120.216 120.216 119.089 1.127 25284 1399 1 3 . 1 1 78 78 ILE HA H 78 3.750 3.750 3.588 0.162 25284 1400 1 3 . 1 1 78 78 ILE C C 78 177.713 177.713 178.092 -0.379 25284 1401 1 3 . 1 1 78 78 ILE CA C 78 64.757 64.757 63.721 1.036 25284 1402 1 3 . 1 1 78 78 ILE CB C 78 37.402 37.402 36.467 0.935 25284 1403 1 3 . 1 1 78 78 ILE H H 78 8.294 8.294 7.864 0.430 25284 1404 1 3 . 1 1 79 79 ASN N N 79 118.191 118.191 118.877 -0.686 25284 1405 1 3 . 1 1 79 79 ASN HA H 79 4.912 4.912 4.294 0.618 25284 1406 1 3 . 1 1 79 79 ASN C C 79 179.524 179.524 177.966 1.558 25284 1407 1 3 . 1 1 79 79 ASN CA C 79 55.473 55.473 56.443 -0.970 25284 1408 1 3 . 1 1 79 79 ASN CB C 79 37.331 37.331 38.393 -1.062 25284 1409 1 3 . 1 1 79 79 ASN H H 79 8.887 8.887 8.759 0.128 25284 1410 1 3 . 1 1 80 80 GLY N N 80 110.387 110.387 107.524 2.863 25284 1411 1 3 . 1 1 80 80 GLY C C 80 175.783 175.783 175.434 0.349 25284 1412 1 3 . 1 1 80 80 GLY CA C 80 47.166 47.166 46.959 0.207 25284 1413 1 3 . 1 1 80 80 GLY H H 80 8.436 8.436 8.544 -0.108 25284 1414 1 3 . 1 1 81 81 ALA N N 81 124.420 124.420 124.183 0.237 25284 1415 1 3 . 1 1 81 81 ALA HA H 81 4.460 4.460 4.177 0.283 25284 1416 1 3 . 1 1 81 81 ALA C C 81 179.892 179.892 179.599 0.293 25284 1417 1 3 . 1 1 81 81 ALA CA C 81 54.389 54.389 54.584 -0.195 25284 1418 1 3 . 1 1 81 81 ALA CB C 81 18.824 18.824 18.451 0.373 25284 1419 1 3 . 1 1 81 81 ALA H H 81 7.606 7.606 7.569 0.037 25284 1420 1 3 . 1 1 82 82 LEU N N 82 120.239 120.239 119.745 0.494 25284 1421 1 3 . 1 1 82 82 LEU HA H 82 4.214 4.214 4.130 0.084 25284 1422 1 3 . 1 1 82 82 LEU C C 82 178.884 178.884 178.212 0.672 25284 1423 1 3 . 1 1 82 82 LEU CA C 82 57.098 57.098 57.088 0.010 25284 1424 1 3 . 1 1 82 82 LEU CB C 82 42.739 42.739 41.838 0.901 25284 1425 1 3 . 1 1 82 82 LEU H H 82 8.285 8.285 8.433 -0.148 25284 1426 1 3 . 1 1 83 83 ALA N N 83 121.614 121.614 120.940 0.674 25284 1427 1 3 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.175 0.124 25284 1428 1 3 . 1 1 83 83 ALA C C 83 178.788 178.788 179.116 -0.328 25284 1429 1 3 . 1 1 83 83 ALA CA C 83 54.049 54.049 54.341 -0.292 25284 1430 1 3 . 1 1 83 83 ALA CB C 83 18.944 18.944 18.476 0.468 25284 1431 1 3 . 1 1 83 83 ALA H H 83 7.973 7.973 8.057 -0.084 25284 1432 1 3 . 1 1 84 84 GLU N N 84 117.412 117.412 118.487 -1.075 25284 1433 1 3 . 1 1 84 84 GLU HA H 84 4.385 4.385 4.263 0.122 25284 1434 1 3 . 1 1 84 84 GLU C C 84 176.406 176.406 178.037 -1.631 25284 1435 1 3 . 1 1 84 84 GLU CA C 84 56.872 56.872 57.453 -0.581 25284 1436 1 3 . 1 1 84 84 GLU CB C 84 29.773 29.773 29.783 -0.010 25284 1437 1 3 . 1 1 84 84 GLU H H 84 7.753 7.753 7.856 -0.103 25284 1438 1 3 . 1 1 85 85 ALA N N 85 124.256 124.256 120.603 3.653 25284 1439 1 3 . 1 1 85 85 ALA HA H 85 4.471 4.471 4.317 0.154 25284 1440 1 3 . 1 1 85 85 ALA C C 85 176.625 176.625 177.022 -0.397 25284 1441 1 3 . 1 1 85 85 ALA CA C 85 52.679 52.679 52.822 -0.142 25284 1442 1 3 . 1 1 85 85 ALA CB C 85 19.702 19.702 19.685 0.017 25284 1443 1 3 . 1 1 85 85 ALA H H 85 7.832 7.832 7.691 0.141 25284 1444 1 4 . 1 1 2 2 ALA HA H 2 4.279 4.279 4.500 -0.221 25284 1445 1 4 . 1 1 2 2 ALA C C 2 173.785 173.785 178.235 -4.450 25284 1446 1 4 . 1 1 2 2 ALA CA C 2 52.136 52.136 52.804 -0.668 25284 1447 1 4 . 1 1 2 2 ALA CB C 2 20.083 20.083 19.262 0.821 25284 1448 1 4 . 1 1 3 3 THR N N 3 117.799 117.799 116.074 1.725 25284 1449 1 4 . 1 1 3 3 THR HA H 3 4.398 4.398 4.495 -0.097 25284 1450 1 4 . 1 1 3 3 THR C C 3 172.979 172.979 172.902 0.077 25284 1451 1 4 . 1 1 3 3 THR CA C 3 62.907 62.907 61.828 1.079 25284 1452 1 4 . 1 1 3 3 THR CB C 3 70.082 70.082 68.466 1.616 25284 1453 1 4 . 1 1 3 3 THR H H 3 8.703 8.703 7.891 0.812 25284 1454 1 4 . 1 1 4 4 LEU N N 4 124.656 124.656 126.446 -1.790 25284 1455 1 4 . 1 1 4 4 LEU HA H 4 4.373 4.373 4.645 -0.272 25284 1456 1 4 . 1 1 4 4 LEU C C 4 177.215 177.215 174.730 2.485 25284 1457 1 4 . 1 1 4 4 LEU CA C 4 54.852 54.852 53.824 1.028 25284 1458 1 4 . 1 1 4 4 LEU CB C 4 42.864 42.864 45.485 -2.621 25284 1459 1 4 . 1 1 4 4 LEU H H 4 8.155 8.155 7.654 0.501 25284 1460 1 4 . 1 1 5 5 LEU N N 5 124.772 124.772 124.870 -0.098 25284 1461 1 4 . 1 1 5 5 LEU HA H 5 4.530 4.530 4.539 -0.009 25284 1462 1 4 . 1 1 5 5 LEU C C 5 177.915 177.915 175.702 2.213 25284 1463 1 4 . 1 1 5 5 LEU CA C 5 55.564 55.564 54.396 1.168 25284 1464 1 4 . 1 1 5 5 LEU CB C 5 42.806 42.806 42.862 -0.056 25284 1465 1 4 . 1 1 5 5 LEU H H 5 9.421 9.421 8.271 1.150 25284 1466 1 4 . 1 1 6 6 THR N N 6 115.077 115.077 116.591 -1.514 25284 1467 1 4 . 1 1 6 6 THR HA H 6 4.745 4.745 4.694 0.051 25284 1468 1 4 . 1 1 6 6 THR C C 6 175.958 175.958 175.291 0.667 25284 1469 1 4 . 1 1 6 6 THR CA C 6 60.159 60.159 60.188 -0.029 25284 1470 1 4 . 1 1 6 6 THR CB C 6 72.442 72.442 70.879 1.563 25284 1471 1 4 . 1 1 6 6 THR H H 6 9.006 9.006 8.124 0.882 25284 1472 1 4 . 1 1 7 7 THR N N 7 115.895 115.895 115.413 0.482 25284 1473 1 4 . 1 1 7 7 THR HA H 7 3.867 3.867 3.975 -0.108 25284 1474 1 4 . 1 1 7 7 THR C C 7 176.622 176.622 176.367 0.255 25284 1475 1 4 . 1 1 7 7 THR CA C 7 67.331 67.331 65.941 1.390 25284 1476 1 4 . 1 1 7 7 THR CB C 7 68.496 68.496 68.762 -0.266 25284 1477 1 4 . 1 1 7 7 THR H H 7 8.864 8.864 8.372 0.492 25284 1478 1 4 . 1 1 8 8 ASP N N 8 120.253 120.253 120.774 -0.521 25284 1479 1 4 . 1 1 8 8 ASP HA H 8 4.629 4.629 4.481 0.148 25284 1480 1 4 . 1 1 8 8 ASP C C 8 178.593 178.593 177.546 1.047 25284 1481 1 4 . 1 1 8 8 ASP CA C 8 57.740 57.740 57.548 0.192 25284 1482 1 4 . 1 1 8 8 ASP CB C 8 41.273 41.273 40.936 0.337 25284 1483 1 4 . 1 1 8 8 ASP H H 8 8.289 8.289 8.371 -0.082 25284 1484 1 4 . 1 1 9 9 ASP N N 9 120.653 120.653 119.993 0.660 25284 1485 1 4 . 1 1 9 9 ASP HA H 9 4.560 4.560 4.489 0.071 25284 1486 1 4 . 1 1 9 9 ASP C C 9 179.465 179.465 178.249 1.216 25284 1487 1 4 . 1 1 9 9 ASP CA C 9 57.608 57.608 56.968 0.640 25284 1488 1 4 . 1 1 9 9 ASP CB C 9 41.559 41.559 41.305 0.254 25284 1489 1 4 . 1 1 9 9 ASP H H 9 7.916 7.916 7.579 0.337 25284 1490 1 4 . 1 1 10 10 LEU N N 10 121.585 121.585 121.463 0.122 25284 1491 1 4 . 1 1 10 10 LEU HA H 10 4.216 4.216 4.114 0.102 25284 1492 1 4 . 1 1 10 10 LEU C C 10 177.517 177.517 178.276 -0.759 25284 1493 1 4 . 1 1 10 10 LEU CA C 10 58.031 58.031 57.838 0.193 25284 1494 1 4 . 1 1 10 10 LEU CB C 10 42.146 42.146 42.044 0.102 25284 1495 1 4 . 1 1 10 10 LEU H H 10 8.086 8.086 8.030 0.056 25284 1496 1 4 . 1 1 11 11 ARG N N 11 120.099 120.099 118.536 1.563 25284 1497 1 4 . 1 1 11 11 ARG HA H 11 3.514 3.514 4.002 -0.488 25284 1498 1 4 . 1 1 11 11 ARG C C 11 177.769 177.769 178.576 -0.807 25284 1499 1 4 . 1 1 11 11 ARG CA C 11 60.715 60.715 60.147 0.568 25284 1500 1 4 . 1 1 11 11 ARG CB C 11 30.775 30.775 30.265 0.510 25284 1501 1 4 . 1 1 11 11 ARG H H 11 8.852 8.852 8.134 0.718 25284 1502 1 4 . 1 1 12 12 ARG N N 12 115.840 115.840 118.738 -2.898 25284 1503 1 4 . 1 1 12 12 ARG HA H 12 4.032 4.032 4.185 -0.153 25284 1504 1 4 . 1 1 12 12 ARG C C 12 178.492 178.492 178.363 0.129 25284 1505 1 4 . 1 1 12 12 ARG CA C 12 59.592 59.592 58.753 0.839 25284 1506 1 4 . 1 1 12 12 ARG CB C 12 30.583 30.583 30.261 0.322 25284 1507 1 4 . 1 1 12 12 ARG H H 12 7.996 7.996 7.678 0.318 25284 1508 1 4 . 1 1 13 13 ALA N N 13 120.184 120.184 123.985 -3.801 25284 1509 1 4 . 1 1 13 13 ALA HA H 13 4.401 4.401 4.112 0.289 25284 1510 1 4 . 1 1 13 13 ALA C C 13 180.114 180.114 179.521 0.593 25284 1511 1 4 . 1 1 13 13 ALA CA C 13 54.938 54.938 55.340 -0.402 25284 1512 1 4 . 1 1 13 13 ALA CB C 13 18.756 18.756 18.605 0.151 25284 1513 1 4 . 1 1 13 13 ALA H H 13 7.705 7.705 8.249 -0.544 25284 1514 1 4 . 1 1 14 14 LEU N N 14 119.427 119.427 118.903 0.524 25284 1515 1 4 . 1 1 14 14 LEU HA H 14 4.424 4.424 4.199 0.225 25284 1516 1 4 . 1 1 14 14 LEU C C 14 179.766 179.766 178.734 1.032 25284 1517 1 4 . 1 1 14 14 LEU CA C 14 57.568 57.568 57.941 -0.373 25284 1518 1 4 . 1 1 14 14 LEU CB C 14 42.039 42.039 42.067 -0.028 25284 1519 1 4 . 1 1 14 14 LEU H H 14 8.424 8.424 8.466 -0.042 25284 1520 1 4 . 1 1 15 15 VAL N N 15 121.004 121.004 118.957 2.047 25284 1521 1 4 . 1 1 15 15 VAL HA H 15 3.920 3.920 3.647 0.273 25284 1522 1 4 . 1 1 15 15 VAL C C 15 179.014 179.014 178.987 0.027 25284 1523 1 4 . 1 1 15 15 VAL CA C 15 66.259 66.259 66.872 -0.613 25284 1524 1 4 . 1 1 15 15 VAL CB C 15 32.137 32.137 31.738 0.400 25284 1525 1 4 . 1 1 15 15 VAL H H 15 8.519 8.519 7.415 1.104 25284 1526 1 4 . 1 1 16 16 GLU N N 16 119.984 119.984 119.263 0.721 25284 1527 1 4 . 1 1 16 16 GLU HA H 16 4.206 4.206 3.965 0.241 25284 1528 1 4 . 1 1 16 16 GLU C C 16 178.547 178.547 178.518 0.029 25284 1529 1 4 . 1 1 16 16 GLU CA C 16 59.042 59.042 59.513 -0.471 25284 1530 1 4 . 1 1 16 16 GLU CB C 16 29.692 29.692 29.514 0.178 25284 1531 1 4 . 1 1 16 16 GLU H H 16 8.218 8.218 8.144 0.074 25284 1532 1 4 . 1 1 17 17 SER N N 17 113.928 113.928 112.684 1.244 25284 1533 1 4 . 1 1 17 17 SER HA H 17 4.577 4.577 4.424 0.153 25284 1534 1 4 . 1 1 17 17 SER C C 17 174.273 174.273 174.013 0.260 25284 1535 1 4 . 1 1 17 17 SER CA C 17 59.940 59.940 59.982 -0.042 25284 1536 1 4 . 1 1 17 17 SER CB C 17 64.378 64.378 63.492 0.886 25284 1537 1 4 . 1 1 17 17 SER H H 17 7.798 7.798 7.701 0.097 25284 1538 1 4 . 1 1 18 18 ALA N N 18 123.357 123.357 120.855 2.502 25284 1539 1 4 . 1 1 18 18 ALA HA H 18 4.347 4.347 4.336 0.011 25284 1540 1 4 . 1 1 18 18 ALA C C 18 178.292 178.292 177.781 0.511 25284 1541 1 4 . 1 1 18 18 ALA CA C 18 52.991 52.991 51.594 1.397 25284 1542 1 4 . 1 1 18 18 ALA CB C 18 19.965 19.965 19.017 0.948 25284 1543 1 4 . 1 1 18 18 ALA H H 18 7.813 7.813 7.750 0.063 25284 1544 1 4 . 1 1 19 19 GLY N N 19 107.711 107.711 108.523 -0.812 25284 1545 1 4 . 1 1 19 19 GLY C C 19 174.440 174.440 173.895 0.545 25284 1546 1 4 . 1 1 19 19 GLY CA C 19 45.650 45.650 45.858 -0.208 25284 1547 1 4 . 1 1 19 19 GLY H H 19 8.256 8.256 7.753 0.503 25284 1548 1 4 . 1 1 20 20 GLU N N 20 120.763 120.763 120.820 -0.057 25284 1549 1 4 . 1 1 20 20 GLU HA H 20 4.477 4.477 4.511 -0.034 25284 1550 1 4 . 1 1 20 20 GLU C C 20 176.905 176.905 174.725 2.180 25284 1551 1 4 . 1 1 20 20 GLU CA C 20 56.896 56.896 56.169 0.727 25284 1552 1 4 . 1 1 20 20 GLU CB C 20 30.160 30.160 31.319 -1.159 25284 1553 1 4 . 1 1 20 20 GLU H H 20 8.508 8.508 8.037 0.471 25284 1554 1 4 . 1 1 21 21 THR N N 21 114.316 114.316 117.115 -2.799 25284 1555 1 4 . 1 1 21 21 THR HA H 21 4.529 4.529 4.370 0.159 25284 1556 1 4 . 1 1 21 21 THR C C 21 174.564 174.564 172.613 1.951 25284 1557 1 4 . 1 1 21 21 THR CA C 21 61.942 61.942 61.699 0.243 25284 1558 1 4 . 1 1 21 21 THR CB C 21 70.323 70.323 69.449 0.874 25284 1559 1 4 . 1 1 21 21 THR H H 21 8.258 8.258 8.262 -0.004 25284 1560 1 4 . 1 1 22 22 ASP N N 22 122.479 122.479 122.090 0.389 25284 1561 1 4 . 1 1 22 22 ASP HA H 22 4.728 4.728 4.737 -0.009 25284 1562 1 4 . 1 1 22 22 ASP C C 22 176.913 176.913 175.832 1.081 25284 1563 1 4 . 1 1 22 22 ASP CA C 22 54.806 54.806 53.626 1.180 25284 1564 1 4 . 1 1 22 22 ASP CB C 22 41.144 41.144 40.202 0.942 25284 1565 1 4 . 1 1 22 22 ASP H H 22 8.506 8.506 8.424 0.082 25284 1566 1 4 . 1 1 23 23 GLY N N 23 109.608 109.608 109.422 0.186 25284 1567 1 4 . 1 1 23 23 GLY C C 23 174.806 174.806 174.405 0.401 25284 1568 1 4 . 1 1 23 23 GLY CA C 23 45.969 45.969 44.670 1.299 25284 1569 1 4 . 1 1 23 23 GLY H H 23 8.503 8.503 8.500 0.003 25284 1570 1 4 . 1 1 24 24 THR N N 24 116.205 116.205 112.872 3.333 25284 1571 1 4 . 1 1 24 24 THR HA H 24 4.333 4.333 3.953 0.380 25284 1572 1 4 . 1 1 24 24 THR C C 24 174.247 174.247 173.894 0.353 25284 1573 1 4 . 1 1 24 24 THR CA C 24 63.240 63.240 62.736 0.504 25284 1574 1 4 . 1 1 24 24 THR CB C 24 70.056 70.056 68.481 1.575 25284 1575 1 4 . 1 1 24 24 THR H H 24 8.152 8.152 7.400 0.752 25284 1576 1 4 . 1 1 25 25 ASP N N 25 124.096 124.096 122.076 2.020 25284 1577 1 4 . 1 1 25 25 ASP HA H 25 4.718 4.718 4.721 -0.003 25284 1578 1 4 . 1 1 25 25 ASP C C 25 176.223 176.223 174.941 1.282 25284 1579 1 4 . 1 1 25 25 ASP CA C 25 54.536 54.536 54.429 0.107 25284 1580 1 4 . 1 1 25 25 ASP CB C 25 41.163 41.163 40.669 0.494 25284 1581 1 4 . 1 1 25 25 ASP H H 25 8.620 8.620 8.524 0.096 25284 1582 1 4 . 1 1 26 26 LEU N N 26 123.934 123.934 122.401 1.533 25284 1583 1 4 . 1 1 26 26 LEU HA H 26 4.365 4.365 4.162 0.203 25284 1584 1 4 . 1 1 26 26 LEU C C 26 176.356 176.356 175.928 0.428 25284 1585 1 4 . 1 1 26 26 LEU CA C 26 54.374 54.374 53.951 0.423 25284 1586 1 4 . 1 1 26 26 LEU CB C 26 41.235 41.235 42.826 -1.591 25284 1587 1 4 . 1 1 26 26 LEU H H 26 8.482 8.482 7.563 0.919 25284 1588 1 4 . 1 1 27 27 SER N N 27 115.330 115.330 113.771 1.559 25284 1589 1 4 . 1 1 27 27 SER HA H 27 4.300 4.300 4.446 -0.146 25284 1590 1 4 . 1 1 27 27 SER C C 27 175.077 175.077 175.070 0.007 25284 1591 1 4 . 1 1 27 27 SER CA C 27 59.917 59.917 57.772 2.145 25284 1592 1 4 . 1 1 27 27 SER CB C 27 64.229 64.229 63.788 0.441 25284 1593 1 4 . 1 1 27 27 SER H H 27 8.214 8.214 7.361 0.853 25284 1594 1 4 . 1 1 28 28 GLY N N 28 111.630 111.630 114.825 -3.195 25284 1595 1 4 . 1 1 28 28 GLY C C 28 174.303 174.303 173.877 0.426 25284 1596 1 4 . 1 1 28 28 GLY CA C 28 45.500 45.500 45.457 0.043 25284 1597 1 4 . 1 1 28 28 GLY H H 28 8.592 8.592 8.708 -0.116 25284 1598 1 4 . 1 1 29 29 ASP N N 29 123.552 123.552 124.767 -1.215 25284 1599 1 4 . 1 1 29 29 ASP HA H 29 4.851 4.851 4.798 0.053 25284 1600 1 4 . 1 1 29 29 ASP C C 29 176.494 176.494 175.110 1.384 25284 1601 1 4 . 1 1 29 29 ASP CA C 29 54.312 54.312 54.323 -0.011 25284 1602 1 4 . 1 1 29 29 ASP CB C 29 39.771 39.771 40.445 -0.674 25284 1603 1 4 . 1 1 29 29 ASP H H 29 8.690 8.690 8.520 0.170 25284 1604 1 4 . 1 1 30 30 PHE N N 30 122.578 122.578 119.601 2.977 25284 1605 1 4 . 1 1 30 30 PHE HA H 30 4.764 4.764 4.710 0.054 25284 1606 1 4 . 1 1 30 30 PHE C C 30 175.529 175.529 175.475 0.054 25284 1607 1 4 . 1 1 30 30 PHE CA C 30 57.493 57.493 56.804 0.689 25284 1608 1 4 . 1 1 30 30 PHE CB C 30 40.639 40.639 39.286 1.353 25284 1609 1 4 . 1 1 30 30 PHE H H 30 8.076 8.076 7.906 0.170 25284 1610 1 4 . 1 1 31 31 LEU N N 31 119.188 119.188 123.617 -4.429 25284 1611 1 4 . 1 1 31 31 LEU HA H 31 3.302 3.302 3.660 -0.358 25284 1612 1 4 . 1 1 31 31 LEU C C 31 176.503 176.503 175.849 0.654 25284 1613 1 4 . 1 1 31 31 LEU CA C 31 57.940 57.940 56.921 1.019 25284 1614 1 4 . 1 1 31 31 LEU CB C 31 42.218 42.218 41.597 0.621 25284 1615 1 4 . 1 1 31 31 LEU H H 31 7.535 7.535 7.739 -0.204 25284 1616 1 4 . 1 1 32 32 ASP N N 32 112.101 112.101 112.910 -0.809 25284 1617 1 4 . 1 1 32 32 ASP HA H 32 5.047 5.047 4.484 0.563 25284 1618 1 4 . 1 1 32 32 ASP C C 32 176.064 176.064 175.470 0.594 25284 1619 1 4 . 1 1 32 32 ASP CA C 32 53.755 53.755 52.961 0.794 25284 1620 1 4 . 1 1 32 32 ASP CB C 32 41.824 41.824 40.452 1.372 25284 1621 1 4 . 1 1 32 32 ASP H H 32 8.087 8.087 8.061 0.026 25284 1622 1 4 . 1 1 33 33 LEU N N 33 122.380 122.380 122.208 0.172 25284 1623 1 4 . 1 1 33 33 LEU HA H 33 4.309 4.309 4.402 -0.093 25284 1624 1 4 . 1 1 33 33 LEU C C 33 174.879 174.879 175.820 -0.941 25284 1625 1 4 . 1 1 33 33 LEU CA C 33 54.566 54.566 54.429 0.137 25284 1626 1 4 . 1 1 33 33 LEU CB C 33 42.528 42.528 43.402 -0.874 25284 1627 1 4 . 1 1 33 33 LEU H H 33 7.222 7.222 7.282 -0.060 25284 1628 1 4 . 1 1 34 34 ARG N N 34 116.439 116.439 123.873 -7.434 25284 1629 1 4 . 1 1 34 34 ARG HA H 34 4.725 4.725 4.319 0.406 25284 1630 1 4 . 1 1 34 34 ARG C C 34 179.778 179.778 177.369 2.409 25284 1631 1 4 . 1 1 34 34 ARG CA C 34 55.536 55.536 56.126 -0.590 25284 1632 1 4 . 1 1 34 34 ARG CB C 34 30.173 30.173 30.858 -0.685 25284 1633 1 4 . 1 1 34 34 ARG H H 34 8.487 8.487 8.325 0.162 25284 1634 1 4 . 1 1 35 35 PHE N N 35 123.548 123.548 121.508 2.040 25284 1635 1 4 . 1 1 35 35 PHE HA H 35 4.385 4.385 4.217 0.168 25284 1636 1 4 . 1 1 35 35 PHE C C 35 178.776 178.776 177.816 0.960 25284 1637 1 4 . 1 1 35 35 PHE CA C 35 63.121 63.121 62.848 0.273 25284 1638 1 4 . 1 1 35 35 PHE CB C 35 37.967 37.967 38.568 -0.601 25284 1639 1 4 . 1 1 35 35 PHE H H 35 8.455 8.455 8.180 0.275 25284 1640 1 4 . 1 1 36 36 GLU N N 36 117.380 117.380 117.592 -0.212 25284 1641 1 4 . 1 1 36 36 GLU HA H 36 4.358 4.358 4.128 0.230 25284 1642 1 4 . 1 1 36 36 GLU C C 36 178.612 178.612 177.957 0.655 25284 1643 1 4 . 1 1 36 36 GLU CA C 36 59.145 59.145 58.867 0.278 25284 1644 1 4 . 1 1 36 36 GLU CB C 36 29.301 29.301 29.169 0.132 25284 1645 1 4 . 1 1 36 36 GLU H H 36 9.560 9.560 8.824 0.736 25284 1646 1 4 . 1 1 37 37 ASP N N 37 118.596 118.596 120.140 -1.544 25284 1647 1 4 . 1 1 37 37 ASP HA H 37 4.810 4.810 4.501 0.309 25284 1648 1 4 . 1 1 37 37 ASP C C 37 177.993 177.993 178.113 -0.120 25284 1649 1 4 . 1 1 37 37 ASP CA C 37 56.474 56.474 56.870 -0.396 25284 1650 1 4 . 1 1 37 37 ASP CB C 37 41.411 41.411 41.086 0.325 25284 1651 1 4 . 1 1 37 37 ASP H H 37 7.546 7.546 7.635 -0.089 25284 1652 1 4 . 1 1 38 38 ILE N N 38 113.080 113.080 112.835 0.245 25284 1653 1 4 . 1 1 38 38 ILE HA H 38 4.663 4.663 4.563 0.100 25284 1654 1 4 . 1 1 38 38 ILE C C 38 176.140 176.140 176.320 -0.180 25284 1655 1 4 . 1 1 38 38 ILE CA C 38 62.038 62.038 61.293 0.745 25284 1656 1 4 . 1 1 38 38 ILE CB C 38 38.755 38.755 37.388 1.367 25284 1657 1 4 . 1 1 38 38 ILE H H 38 7.725 7.725 7.612 0.113 25284 1658 1 4 . 1 1 39 39 GLY N N 39 107.376 107.376 108.157 -0.781 25284 1659 1 4 . 1 1 39 39 GLY C C 39 174.497 174.497 174.301 0.196 25284 1660 1 4 . 1 1 39 39 GLY CA C 39 46.580 46.580 45.689 0.891 25284 1661 1 4 . 1 1 39 39 GLY H H 39 7.736 7.736 7.615 0.121 25284 1662 1 4 . 1 1 40 40 TYR N N 40 121.883 121.883 120.238 1.645 25284 1663 1 4 . 1 1 40 40 TYR HA H 40 4.583 4.583 4.593 -0.010 25284 1664 1 4 . 1 1 40 40 TYR C C 40 174.479 174.479 174.830 -0.351 25284 1665 1 4 . 1 1 40 40 TYR CA C 40 58.153 58.153 57.593 0.560 25284 1666 1 4 . 1 1 40 40 TYR CB C 40 40.535 40.535 39.547 0.988 25284 1667 1 4 . 1 1 40 40 TYR H H 40 8.059 8.059 8.491 -0.432 25284 1668 1 4 . 1 1 41 41 ASP N N 41 124.021 124.021 124.206 -0.185 25284 1669 1 4 . 1 1 41 41 ASP HA H 41 4.739 4.739 4.869 -0.130 25284 1670 1 4 . 1 1 41 41 ASP C C 41 175.831 175.831 176.867 -1.036 25284 1671 1 4 . 1 1 41 41 ASP CA C 41 52.669 52.669 53.419 -0.750 25284 1672 1 4 . 1 1 41 41 ASP CB C 41 42.015 42.015 42.921 -0.906 25284 1673 1 4 . 1 1 41 41 ASP H H 41 7.992 7.992 8.176 -0.184 25284 1674 1 4 . 1 1 42 42 SER N N 42 114.198 114.198 116.792 -2.594 25284 1675 1 4 . 1 1 42 42 SER HA H 42 4.272 4.272 4.123 0.149 25284 1676 1 4 . 1 1 42 42 SER C C 42 176.102 176.102 176.478 -0.376 25284 1677 1 4 . 1 1 42 42 SER CA C 42 60.657 60.657 61.460 -0.803 25284 1678 1 4 . 1 1 42 42 SER CB C 42 66.110 66.110 62.496 3.614 25284 1679 1 4 . 1 1 43 43 LEU N N 43 124.254 124.254 122.288 1.966 25284 1680 1 4 . 1 1 43 43 LEU HA H 43 4.269 4.269 4.035 0.234 25284 1681 1 4 . 1 1 43 43 LEU C C 43 179.140 179.140 179.009 0.131 25284 1682 1 4 . 1 1 43 43 LEU CA C 43 58.567 58.567 57.355 1.212 25284 1683 1 4 . 1 1 43 43 LEU CB C 43 41.178 41.178 41.211 -0.033 25284 1684 1 4 . 1 1 43 43 LEU H H 43 7.792 7.792 8.233 -0.441 25284 1685 1 4 . 1 1 44 44 ALA N N 44 123.473 123.473 121.561 1.912 25284 1686 1 4 . 1 1 44 44 ALA HA H 44 4.318 4.318 4.153 0.165 25284 1687 1 4 . 1 1 44 44 ALA C C 44 181.903 181.903 179.990 1.913 25284 1688 1 4 . 1 1 44 44 ALA CA C 44 55.068 55.068 54.494 0.574 25284 1689 1 4 . 1 1 44 44 ALA CB C 44 18.556 18.556 18.584 -0.028 25284 1690 1 4 . 1 1 44 44 ALA H H 44 8.140 8.140 7.685 0.455 25284 1691 1 4 . 1 1 45 45 LEU N N 45 121.524 121.524 121.138 0.386 25284 1692 1 4 . 1 1 45 45 LEU HA H 45 3.898 3.898 4.287 -0.389 25284 1693 1 4 . 1 1 45 45 LEU C C 45 179.040 179.040 178.418 0.622 25284 1694 1 4 . 1 1 45 45 LEU CA C 45 58.475 58.475 56.596 1.879 25284 1695 1 4 . 1 1 45 45 LEU CB C 45 41.780 41.780 41.309 0.471 25284 1696 1 4 . 1 1 45 45 LEU H H 45 8.442 8.442 7.686 0.756 25284 1697 1 4 . 1 1 46 46 MET N N 46 119.769 119.769 119.314 0.455 25284 1698 1 4 . 1 1 46 46 MET HA H 46 4.265 4.265 3.907 0.358 25284 1699 1 4 . 1 1 46 46 MET C C 46 180.609 180.609 178.512 2.097 25284 1700 1 4 . 1 1 46 46 MET CA C 46 58.853 58.853 59.987 -1.134 25284 1701 1 4 . 1 1 46 46 MET CB C 46 32.119 32.119 31.916 0.203 25284 1702 1 4 . 1 1 46 46 MET H H 46 8.234 8.234 8.430 -0.196 25284 1703 1 4 . 1 1 47 47 GLU N N 47 121.097 121.097 119.113 1.984 25284 1704 1 4 . 1 1 47 47 GLU HA H 47 4.228 4.228 4.057 0.171 25284 1705 1 4 . 1 1 47 47 GLU C C 47 179.333 179.333 179.292 0.041 25284 1706 1 4 . 1 1 47 47 GLU CA C 47 59.644 59.644 59.508 0.136 25284 1707 1 4 . 1 1 47 47 GLU CB C 47 28.977 28.977 29.147 -0.170 25284 1708 1 4 . 1 1 47 47 GLU H H 47 8.517 8.517 8.014 0.503 25284 1709 1 4 . 1 1 48 48 THR N N 48 118.834 118.834 116.392 2.442 25284 1710 1 4 . 1 1 48 48 THR HA H 48 3.961 3.961 4.073 -0.112 25284 1711 1 4 . 1 1 48 48 THR C C 48 176.348 176.348 176.485 -0.137 25284 1712 1 4 . 1 1 48 48 THR CA C 48 67.842 67.842 66.103 1.739 25284 1713 1 4 . 1 1 48 48 THR CB C 48 68.056 68.056 68.848 -0.792 25284 1714 1 4 . 1 1 48 48 THR H H 48 8.325 8.325 8.017 0.308 25284 1715 1 4 . 1 1 49 49 ALA N N 49 123.924 123.924 123.044 0.880 25284 1716 1 4 . 1 1 49 49 ALA HA H 49 3.926 3.926 4.045 -0.119 25284 1717 1 4 . 1 1 49 49 ALA C C 49 178.608 178.608 179.217 -0.609 25284 1718 1 4 . 1 1 49 49 ALA CA C 49 56.247 56.247 55.059 1.188 25284 1719 1 4 . 1 1 49 49 ALA CB C 49 17.569 17.569 18.137 -0.567 25284 1720 1 4 . 1 1 49 49 ALA H H 49 8.747 8.747 8.069 0.678 25284 1721 1 4 . 1 1 50 50 ALA N N 50 119.691 119.691 121.578 -1.887 25284 1722 1 4 . 1 1 50 50 ALA HA H 50 4.269 4.269 4.218 0.051 25284 1723 1 4 . 1 1 50 50 ALA C C 50 181.310 181.310 179.349 1.961 25284 1724 1 4 . 1 1 50 50 ALA CA C 50 55.422 55.422 54.908 0.514 25284 1725 1 4 . 1 1 50 50 ALA CB C 50 18.171 18.171 18.159 0.012 25284 1726 1 4 . 1 1 50 50 ALA H H 50 8.245 8.245 8.137 0.108 25284 1727 1 4 . 1 1 51 51 ARG N N 51 119.913 119.913 118.217 1.696 25284 1728 1 4 . 1 1 51 51 ARG HA H 51 4.247 4.247 4.160 0.087 25284 1729 1 4 . 1 1 51 51 ARG C C 51 179.808 179.808 178.718 1.090 25284 1730 1 4 . 1 1 51 51 ARG CA C 51 59.673 59.673 58.800 0.873 25284 1731 1 4 . 1 1 51 51 ARG CB C 51 30.539 30.539 29.998 0.541 25284 1732 1 4 . 1 1 51 51 ARG H H 51 8.129 8.129 7.764 0.365 25284 1733 1 4 . 1 1 52 52 LEU N N 52 120.624 120.624 119.795 0.829 25284 1734 1 4 . 1 1 52 52 LEU HA H 52 4.319 4.319 4.417 -0.098 25284 1735 1 4 . 1 1 52 52 LEU C C 52 179.192 179.192 178.938 0.254 25284 1736 1 4 . 1 1 52 52 LEU CA C 52 58.253 58.253 57.501 0.752 25284 1737 1 4 . 1 1 52 52 LEU CB C 52 42.812 42.812 42.030 0.782 25284 1738 1 4 . 1 1 52 52 LEU H H 52 8.423 8.423 7.785 0.638 25284 1739 1 4 . 1 1 53 53 GLU N N 53 119.779 119.779 120.519 -0.740 25284 1740 1 4 . 1 1 53 53 GLU HA H 53 4.108 4.108 3.956 0.152 25284 1741 1 4 . 1 1 53 53 GLU C C 53 179.388 179.388 179.496 -0.108 25284 1742 1 4 . 1 1 53 53 GLU CA C 53 60.211 60.211 60.040 0.171 25284 1743 1 4 . 1 1 53 53 GLU CB C 53 29.143 29.143 29.401 -0.258 25284 1744 1 4 . 1 1 53 53 GLU H H 53 8.974 8.974 8.921 0.053 25284 1745 1 4 . 1 1 54 54 SER N N 54 113.169 113.169 113.680 -0.511 25284 1746 1 4 . 1 1 54 54 SER HA H 54 4.384 4.384 4.203 0.181 25284 1747 1 4 . 1 1 54 54 SER C C 54 176.953 176.953 175.536 1.417 25284 1748 1 4 . 1 1 54 54 SER CA C 54 61.279 61.279 61.853 -0.575 25284 1749 1 4 . 1 1 54 54 SER CB C 54 63.402 63.402 63.098 0.304 25284 1750 1 4 . 1 1 54 54 SER H H 54 8.037 8.037 7.948 0.089 25284 1751 1 4 . 1 1 55 55 ARG N N 55 120.851 120.851 120.116 0.735 25284 1752 1 4 . 1 1 55 55 ARG HA H 55 4.100 4.100 4.086 0.014 25284 1753 1 4 . 1 1 55 55 ARG C C 55 177.905 177.905 177.753 0.152 25284 1754 1 4 . 1 1 55 55 ARG CA C 55 58.949 58.949 58.148 0.801 25284 1755 1 4 . 1 1 55 55 ARG CB C 55 30.896 30.896 30.374 0.522 25284 1756 1 4 . 1 1 55 55 ARG H H 55 8.099 8.099 7.542 0.557 25284 1757 1 4 . 1 1 56 56 TYR N N 56 113.669 113.669 116.365 -2.696 25284 1758 1 4 . 1 1 56 56 TYR HA H 56 4.687 4.687 4.600 0.087 25284 1759 1 4 . 1 1 56 56 TYR C C 56 176.069 176.069 175.893 0.176 25284 1760 1 4 . 1 1 56 56 TYR CA C 56 59.055 59.055 58.689 0.366 25284 1761 1 4 . 1 1 56 56 TYR CB C 56 39.465 39.465 39.224 0.241 25284 1762 1 4 . 1 1 56 56 TYR H H 56 8.158 8.158 7.961 0.197 25284 1763 1 4 . 1 1 57 57 GLY N N 57 109.856 109.856 108.219 1.637 25284 1764 1 4 . 1 1 57 57 GLY C C 57 174.642 174.642 174.158 0.484 25284 1765 1 4 . 1 1 57 57 GLY CA C 57 47.476 47.476 45.187 2.289 25284 1766 1 4 . 1 1 57 57 GLY H H 57 7.982 7.982 7.940 0.042 25284 1767 1 4 . 1 1 58 58 VAL N N 58 112.572 112.572 115.190 -2.618 25284 1768 1 4 . 1 1 58 58 VAL HA H 58 4.676 4.676 4.633 0.043 25284 1769 1 4 . 1 1 58 58 VAL C C 58 174.069 174.069 173.252 0.817 25284 1770 1 4 . 1 1 58 58 VAL CA C 58 59.313 59.313 59.256 0.057 25284 1771 1 4 . 1 1 58 58 VAL CB C 58 34.744 34.744 34.761 -0.017 25284 1772 1 4 . 1 1 58 58 VAL H H 58 7.497 7.497 7.716 -0.219 25284 1773 1 4 . 1 1 59 59 SER N N 59 117.179 117.179 114.324 2.855 25284 1774 1 4 . 1 1 59 59 SER HA H 59 4.846 4.846 5.233 -0.387 25284 1775 1 4 . 1 1 59 59 SER C C 59 173.699 173.699 173.160 0.539 25284 1776 1 4 . 1 1 59 59 SER CA C 59 57.401 57.401 57.656 -0.255 25284 1777 1 4 . 1 1 59 59 SER CB C 59 64.502 64.502 64.854 -0.352 25284 1778 1 4 . 1 1 59 59 SER H H 59 8.489 8.489 8.017 0.472 25284 1779 1 4 . 1 1 60 60 ILE N N 60 125.858 125.858 125.710 0.148 25284 1780 1 4 . 1 1 60 60 ILE HA H 60 4.651 4.651 4.443 0.208 25284 1781 1 4 . 1 1 60 60 ILE CA C 60 57.694 57.694 58.370 -0.676 25284 1782 1 4 . 1 1 60 60 ILE CB C 60 40.500 40.500 39.391 1.109 25284 1783 1 4 . 1 1 60 60 ILE H H 60 8.222 8.222 8.955 -0.733 25284 1784 1 4 . 1 1 61 61 PRO HA H 61 4.530 4.530 4.526 0.004 25284 1785 1 4 . 1 1 61 61 PRO C C 61 177.512 177.512 177.482 0.030 25284 1786 1 4 . 1 1 61 61 PRO CA C 61 63.561 63.561 62.290 1.271 25284 1787 1 4 . 1 1 61 61 PRO CB C 61 32.770 32.770 32.367 0.403 25284 1788 1 4 . 1 1 62 62 ASP N N 62 123.459 123.459 123.279 0.180 25284 1789 1 4 . 1 1 62 62 ASP HA H 62 4.449 4.449 4.167 0.282 25284 1790 1 4 . 1 1 62 62 ASP C C 62 177.284 177.284 177.651 -0.367 25284 1791 1 4 . 1 1 62 62 ASP CA C 62 57.112 57.112 57.716 -0.604 25284 1792 1 4 . 1 1 62 62 ASP CB C 62 40.740 40.740 40.365 0.375 25284 1793 1 4 . 1 1 62 62 ASP H H 62 8.831 8.831 8.758 0.073 25284 1794 1 4 . 1 1 63 63 ASP N N 63 116.794 116.794 119.691 -2.897 25284 1795 1 4 . 1 1 63 63 ASP HA H 63 4.529 4.529 4.447 0.082 25284 1796 1 4 . 1 1 63 63 ASP C C 63 177.294 177.294 177.933 -0.639 25284 1797 1 4 . 1 1 63 63 ASP CA C 63 54.956 54.956 56.569 -1.613 25284 1798 1 4 . 1 1 63 63 ASP CB C 63 39.687 39.687 40.575 -0.888 25284 1799 1 4 . 1 1 63 63 ASP H H 63 8.617 8.617 8.722 -0.105 25284 1800 1 4 . 1 1 64 64 VAL N N 64 119.209 119.209 119.658 -0.449 25284 1801 1 4 . 1 1 64 64 VAL HA H 64 3.812 3.812 3.861 -0.049 25284 1802 1 4 . 1 1 64 64 VAL C C 64 177.556 177.556 178.029 -0.473 25284 1803 1 4 . 1 1 64 64 VAL CA C 64 65.179 65.179 64.761 0.418 25284 1804 1 4 . 1 1 64 64 VAL CB C 64 32.413 32.413 31.986 0.427 25284 1805 1 4 . 1 1 64 64 VAL H H 64 7.407 7.407 7.306 0.101 25284 1806 1 4 . 1 1 65 65 ALA N N 65 122.418 122.418 123.848 -1.430 25284 1807 1 4 . 1 1 65 65 ALA HA H 65 3.987 3.987 4.041 -0.054 25284 1808 1 4 . 1 1 65 65 ALA C C 65 177.994 177.994 179.011 -1.017 25284 1809 1 4 . 1 1 65 65 ALA CA C 65 54.842 54.842 54.837 0.005 25284 1810 1 4 . 1 1 65 65 ALA CB C 65 18.522 18.522 18.311 0.211 25284 1811 1 4 . 1 1 65 65 ALA H H 65 8.246 8.246 8.512 -0.266 25284 1812 1 4 . 1 1 66 66 GLY N N 66 100.378 100.378 103.826 -3.448 25284 1813 1 4 . 1 1 66 66 GLY C C 66 174.387 174.387 174.658 -0.271 25284 1814 1 4 . 1 1 66 66 GLY CA C 66 46.015 46.015 44.772 1.243 25284 1815 1 4 . 1 1 66 66 GLY H H 66 8.021 8.021 8.040 -0.019 25284 1816 1 4 . 1 1 67 67 ARG N N 67 116.838 116.838 120.169 -3.331 25284 1817 1 4 . 1 1 67 67 ARG HA H 67 4.623 4.623 4.469 0.154 25284 1818 1 4 . 1 1 67 67 ARG C C 67 176.509 176.509 176.821 -0.312 25284 1819 1 4 . 1 1 67 67 ARG CA C 67 55.883 55.883 56.208 -0.325 25284 1820 1 4 . 1 1 67 67 ARG CB C 67 31.911 31.911 31.494 0.417 25284 1821 1 4 . 1 1 67 67 ARG H H 67 7.483 7.483 7.492 -0.009 25284 1822 1 4 . 1 1 68 68 VAL N N 68 114.649 114.649 116.801 -2.152 25284 1823 1 4 . 1 1 68 68 VAL HA H 68 4.468 4.468 4.116 0.352 25284 1824 1 4 . 1 1 68 68 VAL C C 68 175.192 175.192 175.139 0.053 25284 1825 1 4 . 1 1 68 68 VAL CA C 68 61.819 61.819 62.146 -0.327 25284 1826 1 4 . 1 1 68 68 VAL CB C 68 33.624 33.624 32.541 1.083 25284 1827 1 4 . 1 1 68 68 VAL H H 68 7.284 7.284 7.378 -0.094 25284 1828 1 4 . 1 1 69 69 ASP N N 69 120.972 120.972 121.392 -0.420 25284 1829 1 4 . 1 1 69 69 ASP HA H 69 5.264 5.264 4.781 0.483 25284 1830 1 4 . 1 1 69 69 ASP C C 69 176.970 176.970 175.814 1.156 25284 1831 1 4 . 1 1 69 69 ASP CA C 69 55.811 55.811 56.204 -0.393 25284 1832 1 4 . 1 1 69 69 ASP CB C 69 44.441 44.441 42.160 2.281 25284 1833 1 4 . 1 1 69 69 ASP H H 69 9.167 9.167 8.731 0.436 25284 1834 1 4 . 1 1 70 70 THR N N 70 108.311 108.311 109.021 -0.710 25284 1835 1 4 . 1 1 70 70 THR HA H 70 4.939 4.939 4.698 0.241 25284 1836 1 4 . 1 1 70 70 THR CA C 70 57.823 57.823 58.930 -1.107 25284 1837 1 4 . 1 1 70 70 THR CB C 70 71.412 71.412 70.168 1.244 25284 1838 1 4 . 1 1 70 70 THR H H 70 7.477 7.477 7.717 -0.240 25284 1839 1 4 . 1 1 71 71 PRO HA H 71 4.235 4.235 4.260 -0.025 25284 1840 1 4 . 1 1 71 71 PRO C C 71 177.422 177.422 177.747 -0.325 25284 1841 1 4 . 1 1 71 71 PRO CA C 71 66.002 66.002 65.734 0.268 25284 1842 1 4 . 1 1 71 71 PRO CB C 71 32.686 32.686 31.439 1.247 25284 1843 1 4 . 1 1 72 72 ARG N N 72 117.972 117.972 116.129 1.843 25284 1844 1 4 . 1 1 72 72 ARG HA H 72 3.609 3.609 3.918 -0.309 25284 1845 1 4 . 1 1 72 72 ARG C C 72 177.616 177.616 178.027 -0.411 25284 1846 1 4 . 1 1 72 72 ARG CA C 72 60.243 60.243 59.368 0.875 25284 1847 1 4 . 1 1 72 72 ARG CB C 72 30.524 30.524 28.992 1.532 25284 1848 1 4 . 1 1 72 72 ARG H H 72 9.016 9.016 7.620 1.396 25284 1849 1 4 . 1 1 73 73 GLU N N 73 116.790 116.790 120.688 -3.898 25284 1850 1 4 . 1 1 73 73 GLU HA H 73 4.242 4.242 4.081 0.161 25284 1851 1 4 . 1 1 73 73 GLU C C 73 180.200 180.200 178.944 1.256 25284 1852 1 4 . 1 1 73 73 GLU CA C 73 59.226 59.226 59.248 -0.022 25284 1853 1 4 . 1 1 73 73 GLU CB C 73 30.069 30.069 28.973 1.096 25284 1854 1 4 . 1 1 73 73 GLU H H 73 7.838 7.838 7.991 -0.153 25284 1855 1 4 . 1 1 74 74 LEU N N 74 120.656 120.656 121.502 -0.846 25284 1856 1 4 . 1 1 74 74 LEU HA H 74 4.313 4.313 4.130 0.183 25284 1857 1 4 . 1 1 74 74 LEU C C 74 177.023 177.023 178.427 -1.404 25284 1858 1 4 . 1 1 74 74 LEU CA C 74 58.179 58.179 57.725 0.454 25284 1859 1 4 . 1 1 74 74 LEU CB C 74 42.292 42.292 41.459 0.833 25284 1860 1 4 . 1 1 74 74 LEU H H 74 7.703 7.703 7.417 0.286 25284 1861 1 4 . 1 1 75 75 LEU N N 75 121.434 121.434 120.439 0.995 25284 1862 1 4 . 1 1 75 75 LEU HA H 75 3.894 3.894 3.832 0.062 25284 1863 1 4 . 1 1 75 75 LEU C C 75 178.169 178.169 178.995 -0.826 25284 1864 1 4 . 1 1 75 75 LEU CA C 75 58.562 58.562 58.661 -0.099 25284 1865 1 4 . 1 1 75 75 LEU CB C 75 42.408 42.408 40.247 2.161 25284 1866 1 4 . 1 1 75 75 LEU H H 75 8.743 8.743 8.455 0.288 25284 1867 1 4 . 1 1 76 76 ASP N N 76 117.849 117.849 119.403 -1.554 25284 1868 1 4 . 1 1 76 76 ASP HA H 76 4.488 4.488 4.350 0.138 25284 1869 1 4 . 1 1 76 76 ASP C C 76 180.127 180.127 178.938 1.189 25284 1870 1 4 . 1 1 76 76 ASP CA C 76 57.487 57.487 57.383 0.104 25284 1871 1 4 . 1 1 76 76 ASP CB C 76 40.085 40.085 40.861 -0.776 25284 1872 1 4 . 1 1 76 76 ASP H H 76 8.711 8.711 8.090 0.621 25284 1873 1 4 . 1 1 77 77 LEU N N 77 123.252 123.252 120.569 2.683 25284 1874 1 4 . 1 1 77 77 LEU HA H 77 4.303 4.303 3.934 0.369 25284 1875 1 4 . 1 1 77 77 LEU C C 77 180.621 180.621 179.123 1.498 25284 1876 1 4 . 1 1 77 77 LEU CA C 77 58.439 58.439 57.976 0.463 25284 1877 1 4 . 1 1 77 77 LEU CB C 77 42.905 42.905 41.862 1.042 25284 1878 1 4 . 1 1 77 77 LEU H H 77 8.009 8.009 7.635 0.374 25284 1879 1 4 . 1 1 78 78 ILE N N 78 120.216 120.216 119.312 0.904 25284 1880 1 4 . 1 1 78 78 ILE HA H 78 3.750 3.750 3.552 0.198 25284 1881 1 4 . 1 1 78 78 ILE C C 78 177.713 177.713 178.076 -0.363 25284 1882 1 4 . 1 1 78 78 ILE CA C 78 64.757 64.757 64.044 0.713 25284 1883 1 4 . 1 1 78 78 ILE CB C 78 37.402 37.402 36.443 0.959 25284 1884 1 4 . 1 1 78 78 ILE H H 78 8.294 8.294 8.028 0.266 25284 1885 1 4 . 1 1 79 79 ASN N N 79 118.191 118.191 118.762 -0.571 25284 1886 1 4 . 1 1 79 79 ASN HA H 79 4.912 4.912 4.208 0.704 25284 1887 1 4 . 1 1 79 79 ASN C C 79 179.524 179.524 178.085 1.439 25284 1888 1 4 . 1 1 79 79 ASN CA C 79 55.473 55.473 56.393 -0.920 25284 1889 1 4 . 1 1 79 79 ASN CB C 79 37.331 37.331 38.330 -0.999 25284 1890 1 4 . 1 1 79 79 ASN H H 79 8.887 8.887 8.788 0.099 25284 1891 1 4 . 1 1 80 80 GLY N N 80 110.387 110.387 107.275 3.112 25284 1892 1 4 . 1 1 80 80 GLY C C 80 175.783 175.783 175.318 0.465 25284 1893 1 4 . 1 1 80 80 GLY CA C 80 47.166 47.166 46.745 0.421 25284 1894 1 4 . 1 1 80 80 GLY H H 80 8.436 8.436 8.333 0.103 25284 1895 1 4 . 1 1 81 81 ALA N N 81 124.420 124.420 124.403 0.017 25284 1896 1 4 . 1 1 81 81 ALA HA H 81 4.460 4.460 4.246 0.214 25284 1897 1 4 . 1 1 81 81 ALA C C 81 179.892 179.892 179.371 0.521 25284 1898 1 4 . 1 1 81 81 ALA CA C 81 54.389 54.389 54.535 -0.146 25284 1899 1 4 . 1 1 81 81 ALA CB C 81 18.824 18.824 18.486 0.338 25284 1900 1 4 . 1 1 81 81 ALA H H 81 7.606 7.606 7.671 -0.065 25284 1901 1 4 . 1 1 82 82 LEU N N 82 120.239 120.239 120.357 -0.118 25284 1902 1 4 . 1 1 82 82 LEU HA H 82 4.214 4.214 4.136 0.078 25284 1903 1 4 . 1 1 82 82 LEU C C 82 178.884 178.884 178.329 0.555 25284 1904 1 4 . 1 1 82 82 LEU CA C 82 57.098 57.098 57.154 -0.056 25284 1905 1 4 . 1 1 82 82 LEU CB C 82 42.739 42.739 41.584 1.155 25284 1906 1 4 . 1 1 82 82 LEU H H 82 8.285 8.285 8.611 -0.326 25284 1907 1 4 . 1 1 83 83 ALA N N 83 121.614 121.614 120.645 0.969 25284 1908 1 4 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.097 0.202 25284 1909 1 4 . 1 1 83 83 ALA C C 83 178.788 178.788 178.951 -0.163 25284 1910 1 4 . 1 1 83 83 ALA CA C 83 54.049 54.049 54.709 -0.660 25284 1911 1 4 . 1 1 83 83 ALA CB C 83 18.944 18.944 18.456 0.488 25284 1912 1 4 . 1 1 83 83 ALA H H 83 7.973 7.973 8.028 -0.055 25284 1913 1 4 . 1 1 84 84 GLU N N 84 117.412 117.412 117.800 -0.388 25284 1914 1 4 . 1 1 84 84 GLU HA H 84 4.385 4.385 4.186 0.199 25284 1915 1 4 . 1 1 84 84 GLU C C 84 176.406 176.406 178.174 -1.768 25284 1916 1 4 . 1 1 84 84 GLU CA C 84 56.872 56.872 57.461 -0.589 25284 1917 1 4 . 1 1 84 84 GLU CB C 84 29.773 29.773 30.018 -0.245 25284 1918 1 4 . 1 1 84 84 GLU H H 84 7.753 7.753 7.656 0.097 25284 1919 1 4 . 1 1 85 85 ALA N N 85 124.256 124.256 122.134 2.122 25284 1920 1 4 . 1 1 85 85 ALA HA H 85 4.471 4.471 4.180 0.291 25284 1921 1 4 . 1 1 85 85 ALA C C 85 176.625 176.625 177.377 -0.752 25284 1922 1 4 . 1 1 85 85 ALA CA C 85 52.679 52.679 53.950 -1.271 25284 1923 1 4 . 1 1 85 85 ALA CB C 85 19.702 19.702 19.615 0.087 25284 1924 1 4 . 1 1 85 85 ALA H H 85 7.832 7.832 7.960 -0.128 25284 1925 1 5 . 1 1 2 2 ALA HA H 2 4.279 4.279 4.688 -0.409 25284 1926 1 5 . 1 1 2 2 ALA C C 2 173.785 173.785 178.106 -4.321 25284 1927 1 5 . 1 1 2 2 ALA CA C 2 52.136 52.136 51.560 0.576 25284 1928 1 5 . 1 1 2 2 ALA CB C 2 20.083 20.083 19.968 0.115 25284 1929 1 5 . 1 1 3 3 THR N N 3 117.799 117.799 116.099 1.700 25284 1930 1 5 . 1 1 3 3 THR HA H 3 4.398 4.398 4.249 0.149 25284 1931 1 5 . 1 1 3 3 THR C C 3 172.979 172.979 174.029 -1.050 25284 1932 1 5 . 1 1 3 3 THR CA C 3 62.907 62.907 61.471 1.435 25284 1933 1 5 . 1 1 3 3 THR CB C 3 70.082 70.082 68.314 1.768 25284 1934 1 5 . 1 1 3 3 THR H H 3 8.703 8.703 8.469 0.234 25284 1935 1 5 . 1 1 4 4 LEU N N 4 124.656 124.656 124.828 -0.172 25284 1936 1 5 . 1 1 4 4 LEU HA H 4 4.373 4.373 4.304 0.069 25284 1937 1 5 . 1 1 4 4 LEU C C 4 177.215 177.215 175.592 1.623 25284 1938 1 5 . 1 1 4 4 LEU CA C 4 54.852 54.852 54.012 0.840 25284 1939 1 5 . 1 1 4 4 LEU CB C 4 42.864 42.864 42.908 -0.044 25284 1940 1 5 . 1 1 4 4 LEU H H 4 8.155 8.155 7.935 0.220 25284 1941 1 5 . 1 1 5 5 LEU N N 5 124.772 124.772 128.737 -3.965 25284 1942 1 5 . 1 1 5 5 LEU HA H 5 4.530 4.530 4.106 0.424 25284 1943 1 5 . 1 1 5 5 LEU C C 5 177.915 177.915 176.329 1.586 25284 1944 1 5 . 1 1 5 5 LEU CA C 5 55.564 55.564 55.466 0.098 25284 1945 1 5 . 1 1 5 5 LEU CB C 5 42.806 42.806 41.769 1.038 25284 1946 1 5 . 1 1 5 5 LEU H H 5 9.421 9.421 8.279 1.142 25284 1947 1 5 . 1 1 6 6 THR N N 6 115.077 115.077 117.676 -2.599 25284 1948 1 5 . 1 1 6 6 THR HA H 6 4.745 4.745 4.642 0.103 25284 1949 1 5 . 1 1 6 6 THR C C 6 175.958 175.958 175.432 0.526 25284 1950 1 5 . 1 1 6 6 THR CA C 6 60.159 60.159 60.251 -0.092 25284 1951 1 5 . 1 1 6 6 THR CB C 6 72.442 72.442 70.259 2.183 25284 1952 1 5 . 1 1 6 6 THR H H 6 9.006 9.006 7.868 1.138 25284 1953 1 5 . 1 1 7 7 THR N N 7 115.895 115.895 115.469 0.426 25284 1954 1 5 . 1 1 7 7 THR HA H 7 3.867 3.867 4.071 -0.204 25284 1955 1 5 . 1 1 7 7 THR C C 7 176.622 176.622 176.279 0.343 25284 1956 1 5 . 1 1 7 7 THR CA C 7 67.331 67.331 67.271 0.060 25284 1957 1 5 . 1 1 7 7 THR CB C 7 68.496 68.496 67.885 0.611 25284 1958 1 5 . 1 1 7 7 THR H H 7 8.864 8.864 8.452 0.412 25284 1959 1 5 . 1 1 8 8 ASP N N 8 120.253 120.253 119.298 0.955 25284 1960 1 5 . 1 1 8 8 ASP HA H 8 4.629 4.629 4.407 0.222 25284 1961 1 5 . 1 1 8 8 ASP C C 8 178.593 178.593 178.310 0.283 25284 1962 1 5 . 1 1 8 8 ASP CA C 8 57.740 57.740 57.468 0.273 25284 1963 1 5 . 1 1 8 8 ASP CB C 8 41.273 41.273 39.878 1.395 25284 1964 1 5 . 1 1 8 8 ASP H H 8 8.289 8.289 8.774 -0.485 25284 1965 1 5 . 1 1 9 9 ASP N N 9 120.653 120.653 120.652 0.001 25284 1966 1 5 . 1 1 9 9 ASP HA H 9 4.560 4.560 4.525 0.035 25284 1967 1 5 . 1 1 9 9 ASP C C 9 179.465 179.465 178.274 1.191 25284 1968 1 5 . 1 1 9 9 ASP CA C 9 57.608 57.608 56.370 1.238 25284 1969 1 5 . 1 1 9 9 ASP CB C 9 41.559 41.559 41.317 0.242 25284 1970 1 5 . 1 1 9 9 ASP H H 9 7.916 7.916 7.559 0.357 25284 1971 1 5 . 1 1 10 10 LEU N N 10 121.585 121.585 121.952 -0.367 25284 1972 1 5 . 1 1 10 10 LEU HA H 10 4.216 4.216 4.064 0.152 25284 1973 1 5 . 1 1 10 10 LEU C C 10 177.517 177.517 178.269 -0.752 25284 1974 1 5 . 1 1 10 10 LEU CA C 10 58.031 58.031 58.071 -0.040 25284 1975 1 5 . 1 1 10 10 LEU CB C 10 42.146 42.146 42.030 0.116 25284 1976 1 5 . 1 1 10 10 LEU H H 10 8.086 8.086 7.901 0.185 25284 1977 1 5 . 1 1 11 11 ARG N N 11 120.099 120.099 118.371 1.728 25284 1978 1 5 . 1 1 11 11 ARG HA H 11 3.514 3.514 3.356 0.158 25284 1979 1 5 . 1 1 11 11 ARG C C 11 177.769 177.769 178.374 -0.605 25284 1980 1 5 . 1 1 11 11 ARG CA C 11 60.715 60.715 59.637 1.078 25284 1981 1 5 . 1 1 11 11 ARG CB C 11 30.775 30.775 29.758 1.017 25284 1982 1 5 . 1 1 11 11 ARG H H 11 8.852 8.852 8.520 0.332 25284 1983 1 5 . 1 1 12 12 ARG N N 12 115.840 115.840 118.705 -2.865 25284 1984 1 5 . 1 1 12 12 ARG HA H 12 4.032 4.032 4.102 -0.070 25284 1985 1 5 . 1 1 12 12 ARG C C 12 178.492 178.492 178.330 0.162 25284 1986 1 5 . 1 1 12 12 ARG CA C 12 59.592 59.592 58.882 0.710 25284 1987 1 5 . 1 1 12 12 ARG CB C 12 30.583 30.583 30.135 0.448 25284 1988 1 5 . 1 1 12 12 ARG H H 12 7.996 7.996 7.328 0.668 25284 1989 1 5 . 1 1 13 13 ALA N N 13 120.184 120.184 123.614 -3.430 25284 1990 1 5 . 1 1 13 13 ALA HA H 13 4.401 4.401 4.074 0.327 25284 1991 1 5 . 1 1 13 13 ALA C C 13 180.114 180.114 179.620 0.494 25284 1992 1 5 . 1 1 13 13 ALA CA C 13 54.938 54.938 55.330 -0.392 25284 1993 1 5 . 1 1 13 13 ALA CB C 13 18.756 18.756 18.549 0.207 25284 1994 1 5 . 1 1 13 13 ALA H H 13 7.705 7.705 8.605 -0.900 25284 1995 1 5 . 1 1 14 14 LEU N N 14 119.427 119.427 119.392 0.035 25284 1996 1 5 . 1 1 14 14 LEU HA H 14 4.424 4.424 4.171 0.253 25284 1997 1 5 . 1 1 14 14 LEU C C 14 179.766 179.766 179.247 0.519 25284 1998 1 5 . 1 1 14 14 LEU CA C 14 57.568 57.568 58.339 -0.771 25284 1999 1 5 . 1 1 14 14 LEU CB C 14 42.039 42.039 41.752 0.287 25284 2000 1 5 . 1 1 14 14 LEU H H 14 8.424 8.424 8.410 0.014 25284 2001 1 5 . 1 1 15 15 VAL N N 15 121.004 121.004 119.578 1.426 25284 2002 1 5 . 1 1 15 15 VAL HA H 15 3.920 3.920 3.794 0.126 25284 2003 1 5 . 1 1 15 15 VAL C C 15 179.014 179.014 178.906 0.108 25284 2004 1 5 . 1 1 15 15 VAL CA C 15 66.259 66.259 66.443 -0.184 25284 2005 1 5 . 1 1 15 15 VAL CB C 15 32.137 32.137 31.590 0.547 25284 2006 1 5 . 1 1 15 15 VAL H H 15 8.519 8.519 7.482 1.037 25284 2007 1 5 . 1 1 16 16 GLU N N 16 119.984 119.984 120.557 -0.573 25284 2008 1 5 . 1 1 16 16 GLU HA H 16 4.206 4.206 4.028 0.178 25284 2009 1 5 . 1 1 16 16 GLU C C 16 178.547 178.547 179.340 -0.793 25284 2010 1 5 . 1 1 16 16 GLU CA C 16 59.042 59.042 59.290 -0.248 25284 2011 1 5 . 1 1 16 16 GLU CB C 16 29.692 29.692 28.956 0.736 25284 2012 1 5 . 1 1 16 16 GLU H H 16 8.218 8.218 8.508 -0.290 25284 2013 1 5 . 1 1 17 17 SER N N 17 113.928 113.928 114.713 -0.785 25284 2014 1 5 . 1 1 17 17 SER HA H 17 4.577 4.577 4.333 0.244 25284 2015 1 5 . 1 1 17 17 SER C C 17 174.273 174.273 174.612 -0.339 25284 2016 1 5 . 1 1 17 17 SER CA C 17 59.940 59.940 60.690 -0.750 25284 2017 1 5 . 1 1 17 17 SER CB C 17 64.378 64.378 63.062 1.316 25284 2018 1 5 . 1 1 17 17 SER H H 17 7.798 7.798 8.165 -0.367 25284 2019 1 5 . 1 1 18 18 ALA N N 18 123.357 123.357 120.962 2.395 25284 2020 1 5 . 1 1 18 18 ALA HA H 18 4.347 4.347 4.227 0.120 25284 2021 1 5 . 1 1 18 18 ALA C C 18 178.292 178.292 178.050 0.242 25284 2022 1 5 . 1 1 18 18 ALA CA C 18 52.991 52.991 52.488 0.503 25284 2023 1 5 . 1 1 18 18 ALA CB C 18 19.965 19.965 19.060 0.905 25284 2024 1 5 . 1 1 18 18 ALA H H 18 7.813 7.813 7.606 0.207 25284 2025 1 5 . 1 1 19 19 GLY N N 19 107.711 107.711 108.573 -0.862 25284 2026 1 5 . 1 1 19 19 GLY C C 19 174.440 174.440 174.801 -0.361 25284 2027 1 5 . 1 1 19 19 GLY CA C 19 45.650 45.650 46.046 -0.396 25284 2028 1 5 . 1 1 19 19 GLY H H 19 8.256 8.256 7.795 0.461 25284 2029 1 5 . 1 1 20 20 GLU N N 20 120.763 120.763 123.946 -3.183 25284 2030 1 5 . 1 1 20 20 GLU HA H 20 4.477 4.477 4.416 0.061 25284 2031 1 5 . 1 1 20 20 GLU C C 20 176.905 176.905 176.252 0.653 25284 2032 1 5 . 1 1 20 20 GLU CA C 20 56.896 56.896 55.693 1.203 25284 2033 1 5 . 1 1 20 20 GLU CB C 20 30.160 30.160 29.755 0.405 25284 2034 1 5 . 1 1 20 20 GLU H H 20 8.508 8.508 8.496 0.012 25284 2035 1 5 . 1 1 21 21 THR N N 21 114.316 114.316 120.271 -5.955 25284 2036 1 5 . 1 1 21 21 THR HA H 21 4.529 4.529 4.228 0.301 25284 2037 1 5 . 1 1 21 21 THR C C 21 174.564 174.564 174.357 0.207 25284 2038 1 5 . 1 1 21 21 THR CA C 21 61.942 61.942 63.919 -1.977 25284 2039 1 5 . 1 1 21 21 THR CB C 21 70.323 70.323 68.341 1.982 25284 2040 1 5 . 1 1 21 21 THR H H 21 8.258 8.258 7.561 0.697 25284 2041 1 5 . 1 1 22 22 ASP N N 22 122.479 122.479 124.570 -2.091 25284 2042 1 5 . 1 1 22 22 ASP HA H 22 4.728 4.728 4.740 -0.012 25284 2043 1 5 . 1 1 22 22 ASP C C 22 176.913 176.913 176.667 0.246 25284 2044 1 5 . 1 1 22 22 ASP CA C 22 54.806 54.806 54.215 0.591 25284 2045 1 5 . 1 1 22 22 ASP CB C 22 41.144 41.144 41.055 0.089 25284 2046 1 5 . 1 1 22 22 ASP H H 22 8.506 8.506 8.007 0.499 25284 2047 1 5 . 1 1 23 23 GLY N N 23 109.608 109.608 107.793 1.815 25284 2048 1 5 . 1 1 23 23 GLY C C 23 174.806 174.806 174.772 0.034 25284 2049 1 5 . 1 1 23 23 GLY CA C 23 45.969 45.969 44.894 1.075 25284 2050 1 5 . 1 1 23 23 GLY H H 23 8.503 8.503 7.878 0.625 25284 2051 1 5 . 1 1 24 24 THR N N 24 116.205 116.205 114.106 2.099 25284 2052 1 5 . 1 1 24 24 THR HA H 24 4.333 4.333 4.388 -0.055 25284 2053 1 5 . 1 1 24 24 THR C C 24 174.247 174.247 173.833 0.414 25284 2054 1 5 . 1 1 24 24 THR CA C 24 63.240 63.240 60.771 2.469 25284 2055 1 5 . 1 1 24 24 THR CB C 24 70.056 70.056 68.269 1.787 25284 2056 1 5 . 1 1 24 24 THR H H 24 8.152 8.152 7.554 0.598 25284 2057 1 5 . 1 1 25 25 ASP N N 25 124.096 124.096 125.277 -1.181 25284 2058 1 5 . 1 1 25 25 ASP HA H 25 4.718 4.718 4.533 0.185 25284 2059 1 5 . 1 1 25 25 ASP C C 25 176.223 176.223 175.857 0.366 25284 2060 1 5 . 1 1 25 25 ASP CA C 25 54.536 54.536 54.614 -0.078 25284 2061 1 5 . 1 1 25 25 ASP CB C 25 41.163 41.163 40.732 0.431 25284 2062 1 5 . 1 1 25 25 ASP H H 25 8.620 8.620 8.196 0.424 25284 2063 1 5 . 1 1 26 26 LEU N N 26 123.934 123.934 125.580 -1.646 25284 2064 1 5 . 1 1 26 26 LEU HA H 26 4.365 4.365 4.440 -0.075 25284 2065 1 5 . 1 1 26 26 LEU C C 26 176.356 176.356 175.820 0.536 25284 2066 1 5 . 1 1 26 26 LEU CA C 26 54.374 54.374 53.950 0.424 25284 2067 1 5 . 1 1 26 26 LEU CB C 26 41.235 41.235 41.864 -0.629 25284 2068 1 5 . 1 1 26 26 LEU H H 26 8.482 8.482 7.673 0.809 25284 2069 1 5 . 1 1 27 27 SER N N 27 115.330 115.330 116.509 -1.179 25284 2070 1 5 . 1 1 27 27 SER HA H 27 4.300 4.300 4.467 -0.167 25284 2071 1 5 . 1 1 27 27 SER C C 27 175.077 175.077 174.814 0.263 25284 2072 1 5 . 1 1 27 27 SER CA C 27 59.917 59.917 58.842 1.075 25284 2073 1 5 . 1 1 27 27 SER CB C 27 64.229 64.229 63.042 1.187 25284 2074 1 5 . 1 1 27 27 SER H H 27 8.214 8.214 7.847 0.367 25284 2075 1 5 . 1 1 28 28 GLY N N 28 111.630 111.630 115.928 -4.298 25284 2076 1 5 . 1 1 28 28 GLY C C 28 174.303 174.303 173.914 0.389 25284 2077 1 5 . 1 1 28 28 GLY CA C 28 45.500 45.500 44.832 0.668 25284 2078 1 5 . 1 1 28 28 GLY H H 28 8.592 8.592 8.251 0.341 25284 2079 1 5 . 1 1 29 29 ASP N N 29 123.552 123.552 125.618 -2.066 25284 2080 1 5 . 1 1 29 29 ASP HA H 29 4.851 4.851 4.746 0.105 25284 2081 1 5 . 1 1 29 29 ASP C C 29 176.494 176.494 176.268 0.226 25284 2082 1 5 . 1 1 29 29 ASP CA C 29 54.312 54.312 53.938 0.374 25284 2083 1 5 . 1 1 29 29 ASP CB C 29 39.771 39.771 39.153 0.618 25284 2084 1 5 . 1 1 29 29 ASP H H 29 8.690 8.690 8.698 -0.008 25284 2085 1 5 . 1 1 30 30 PHE N N 30 122.578 122.578 118.674 3.904 25284 2086 1 5 . 1 1 30 30 PHE HA H 30 4.764 4.764 4.487 0.277 25284 2087 1 5 . 1 1 30 30 PHE C C 30 175.529 175.529 176.277 -0.748 25284 2088 1 5 . 1 1 30 30 PHE CA C 30 57.493 57.493 58.590 -1.097 25284 2089 1 5 . 1 1 30 30 PHE CB C 30 40.639 40.639 38.608 2.031 25284 2090 1 5 . 1 1 30 30 PHE H H 30 8.076 8.076 8.147 -0.071 25284 2091 1 5 . 1 1 31 31 LEU N N 31 119.188 119.188 121.035 -1.847 25284 2092 1 5 . 1 1 31 31 LEU HA H 31 3.302 3.302 3.530 -0.228 25284 2093 1 5 . 1 1 31 31 LEU C C 31 176.503 176.503 176.263 0.240 25284 2094 1 5 . 1 1 31 31 LEU CA C 31 57.940 57.940 56.862 1.078 25284 2095 1 5 . 1 1 31 31 LEU CB C 31 42.218 42.218 41.576 0.642 25284 2096 1 5 . 1 1 31 31 LEU H H 31 7.535 7.535 7.515 0.020 25284 2097 1 5 . 1 1 32 32 ASP N N 32 112.101 112.101 117.454 -5.353 25284 2098 1 5 . 1 1 32 32 ASP HA H 32 5.047 5.047 4.585 0.462 25284 2099 1 5 . 1 1 32 32 ASP C C 32 176.064 176.064 175.429 0.635 25284 2100 1 5 . 1 1 32 32 ASP CA C 32 53.755 53.755 54.192 -0.437 25284 2101 1 5 . 1 1 32 32 ASP CB C 32 41.824 41.824 41.304 0.520 25284 2102 1 5 . 1 1 32 32 ASP H H 32 8.087 8.087 7.486 0.601 25284 2103 1 5 . 1 1 33 33 LEU N N 33 122.380 122.380 121.682 0.698 25284 2104 1 5 . 1 1 33 33 LEU HA H 33 4.309 4.309 4.494 -0.185 25284 2105 1 5 . 1 1 33 33 LEU C C 33 174.879 174.879 174.625 0.254 25284 2106 1 5 . 1 1 33 33 LEU CA C 33 54.566 54.566 53.436 1.130 25284 2107 1 5 . 1 1 33 33 LEU CB C 33 42.528 42.528 45.245 -2.717 25284 2108 1 5 . 1 1 33 33 LEU H H 33 7.222 7.222 7.513 -0.291 25284 2109 1 5 . 1 1 34 34 ARG N N 34 116.439 116.439 117.638 -1.199 25284 2110 1 5 . 1 1 34 34 ARG HA H 34 4.725 4.725 4.824 -0.099 25284 2111 1 5 . 1 1 34 34 ARG C C 34 179.778 179.778 177.973 1.805 25284 2112 1 5 . 1 1 34 34 ARG CA C 34 55.536 55.536 54.264 1.272 25284 2113 1 5 . 1 1 34 34 ARG CB C 34 30.173 30.173 31.833 -1.660 25284 2114 1 5 . 1 1 34 34 ARG H H 34 8.487 8.487 7.985 0.502 25284 2115 1 5 . 1 1 35 35 PHE N N 35 123.548 123.548 121.233 2.315 25284 2116 1 5 . 1 1 35 35 PHE HA H 35 4.385 4.385 4.188 0.197 25284 2117 1 5 . 1 1 35 35 PHE C C 35 178.776 178.776 177.683 1.093 25284 2118 1 5 . 1 1 35 35 PHE CA C 35 63.121 63.121 62.650 0.471 25284 2119 1 5 . 1 1 35 35 PHE CB C 35 37.967 37.967 38.506 -0.539 25284 2120 1 5 . 1 1 35 35 PHE H H 35 8.455 8.455 8.468 -0.013 25284 2121 1 5 . 1 1 36 36 GLU N N 36 117.380 117.380 117.753 -0.373 25284 2122 1 5 . 1 1 36 36 GLU HA H 36 4.358 4.358 4.099 0.259 25284 2123 1 5 . 1 1 36 36 GLU C C 36 178.612 178.612 177.850 0.762 25284 2124 1 5 . 1 1 36 36 GLU CA C 36 59.145 59.145 59.172 -0.028 25284 2125 1 5 . 1 1 36 36 GLU CB C 36 29.301 29.301 29.178 0.123 25284 2126 1 5 . 1 1 36 36 GLU H H 36 9.560 9.560 8.809 0.751 25284 2127 1 5 . 1 1 37 37 ASP N N 37 118.596 118.596 118.572 0.024 25284 2128 1 5 . 1 1 37 37 ASP HA H 37 4.810 4.810 4.552 0.258 25284 2129 1 5 . 1 1 37 37 ASP C C 37 177.993 177.993 178.049 -0.056 25284 2130 1 5 . 1 1 37 37 ASP CA C 37 56.474 56.474 56.239 0.235 25284 2131 1 5 . 1 1 37 37 ASP CB C 37 41.411 41.411 41.429 -0.018 25284 2132 1 5 . 1 1 37 37 ASP H H 37 7.546 7.546 7.750 -0.204 25284 2133 1 5 . 1 1 38 38 ILE N N 38 113.080 113.080 113.581 -0.501 25284 2134 1 5 . 1 1 38 38 ILE HA H 38 4.663 4.663 4.326 0.337 25284 2135 1 5 . 1 1 38 38 ILE C C 38 176.140 176.140 176.567 -0.427 25284 2136 1 5 . 1 1 38 38 ILE CA C 38 62.038 62.038 61.648 0.390 25284 2137 1 5 . 1 1 38 38 ILE CB C 38 38.755 38.755 37.594 1.161 25284 2138 1 5 . 1 1 38 38 ILE H H 38 7.725 7.725 7.616 0.109 25284 2139 1 5 . 1 1 39 39 GLY N N 39 107.376 107.376 108.139 -0.763 25284 2140 1 5 . 1 1 39 39 GLY C C 39 174.497 174.497 174.208 0.289 25284 2141 1 5 . 1 1 39 39 GLY CA C 39 46.580 46.580 45.510 1.070 25284 2142 1 5 . 1 1 39 39 GLY H H 39 7.736 7.736 8.011 -0.275 25284 2143 1 5 . 1 1 40 40 TYR N N 40 121.883 121.883 120.321 1.562 25284 2144 1 5 . 1 1 40 40 TYR HA H 40 4.583 4.583 4.565 0.018 25284 2145 1 5 . 1 1 40 40 TYR C C 40 174.479 174.479 175.036 -0.557 25284 2146 1 5 . 1 1 40 40 TYR CA C 40 58.153 58.153 57.797 0.356 25284 2147 1 5 . 1 1 40 40 TYR CB C 40 40.535 40.535 39.185 1.350 25284 2148 1 5 . 1 1 40 40 TYR H H 40 8.059 8.059 8.455 -0.396 25284 2149 1 5 . 1 1 41 41 ASP N N 41 124.021 124.021 123.936 0.085 25284 2150 1 5 . 1 1 41 41 ASP HA H 41 4.739 4.739 4.863 -0.124 25284 2151 1 5 . 1 1 41 41 ASP C C 41 175.831 175.831 177.060 -1.229 25284 2152 1 5 . 1 1 41 41 ASP CA C 41 52.669 52.669 53.800 -1.131 25284 2153 1 5 . 1 1 41 41 ASP CB C 41 42.015 42.015 42.706 -0.691 25284 2154 1 5 . 1 1 41 41 ASP H H 41 7.992 7.992 8.203 -0.211 25284 2155 1 5 . 1 1 42 42 SER N N 42 114.198 114.198 116.223 -2.025 25284 2156 1 5 . 1 1 42 42 SER HA H 42 4.272 4.272 4.144 0.128 25284 2157 1 5 . 1 1 42 42 SER C C 42 176.102 176.102 176.562 -0.460 25284 2158 1 5 . 1 1 42 42 SER CA C 42 60.657 60.657 61.491 -0.834 25284 2159 1 5 . 1 1 42 42 SER CB C 42 66.110 66.110 62.345 3.765 25284 2160 1 5 . 1 1 43 43 LEU N N 43 124.254 124.254 122.053 2.201 25284 2161 1 5 . 1 1 43 43 LEU HA H 43 4.269 4.269 4.008 0.261 25284 2162 1 5 . 1 1 43 43 LEU C C 43 179.140 179.140 178.894 0.246 25284 2163 1 5 . 1 1 43 43 LEU CA C 43 58.567 58.567 57.669 0.898 25284 2164 1 5 . 1 1 43 43 LEU CB C 43 41.178 41.178 41.099 0.079 25284 2165 1 5 . 1 1 43 43 LEU H H 43 7.792 7.792 8.324 -0.532 25284 2166 1 5 . 1 1 44 44 ALA N N 44 123.473 123.473 121.182 2.291 25284 2167 1 5 . 1 1 44 44 ALA HA H 44 4.318 4.318 4.030 0.288 25284 2168 1 5 . 1 1 44 44 ALA C C 44 181.903 181.903 180.022 1.881 25284 2169 1 5 . 1 1 44 44 ALA CA C 44 55.068 55.068 54.700 0.368 25284 2170 1 5 . 1 1 44 44 ALA CB C 44 18.556 18.556 18.403 0.153 25284 2171 1 5 . 1 1 44 44 ALA H H 44 8.140 8.140 7.983 0.157 25284 2172 1 5 . 1 1 45 45 LEU N N 45 121.524 121.524 120.484 1.040 25284 2173 1 5 . 1 1 45 45 LEU HA H 45 3.898 3.898 4.245 -0.347 25284 2174 1 5 . 1 1 45 45 LEU C C 45 179.040 179.040 178.517 0.523 25284 2175 1 5 . 1 1 45 45 LEU CA C 45 58.475 58.475 56.744 1.731 25284 2176 1 5 . 1 1 45 45 LEU CB C 45 41.780 41.780 41.360 0.420 25284 2177 1 5 . 1 1 45 45 LEU H H 45 8.442 8.442 7.618 0.824 25284 2178 1 5 . 1 1 46 46 MET N N 46 119.769 119.769 119.146 0.623 25284 2179 1 5 . 1 1 46 46 MET HA H 46 4.265 4.265 3.906 0.359 25284 2180 1 5 . 1 1 46 46 MET C C 46 180.609 180.609 178.747 1.862 25284 2181 1 5 . 1 1 46 46 MET CA C 46 58.853 58.853 60.027 -1.174 25284 2182 1 5 . 1 1 46 46 MET CB C 46 32.119 32.119 31.971 0.148 25284 2183 1 5 . 1 1 46 46 MET H H 46 8.234 8.234 8.346 -0.112 25284 2184 1 5 . 1 1 47 47 GLU N N 47 121.097 121.097 119.633 1.464 25284 2185 1 5 . 1 1 47 47 GLU HA H 47 4.228 4.228 4.025 0.203 25284 2186 1 5 . 1 1 47 47 GLU C C 47 179.333 179.333 179.136 0.197 25284 2187 1 5 . 1 1 47 47 GLU CA C 47 59.644 59.644 59.535 0.109 25284 2188 1 5 . 1 1 47 47 GLU CB C 47 28.977 28.977 29.512 -0.535 25284 2189 1 5 . 1 1 47 47 GLU H H 47 8.517 8.517 8.591 -0.074 25284 2190 1 5 . 1 1 48 48 THR N N 48 118.834 118.834 116.990 1.844 25284 2191 1 5 . 1 1 48 48 THR HA H 48 3.961 3.961 4.067 -0.106 25284 2192 1 5 . 1 1 48 48 THR C C 48 176.348 176.348 176.558 -0.210 25284 2193 1 5 . 1 1 48 48 THR CA C 48 67.842 67.842 66.399 1.443 25284 2194 1 5 . 1 1 48 48 THR CB C 48 68.056 68.056 68.896 -0.840 25284 2195 1 5 . 1 1 48 48 THR H H 48 8.325 8.325 8.138 0.187 25284 2196 1 5 . 1 1 49 49 ALA N N 49 123.924 123.924 122.916 1.008 25284 2197 1 5 . 1 1 49 49 ALA HA H 49 3.926 3.926 4.074 -0.148 25284 2198 1 5 . 1 1 49 49 ALA C C 49 178.608 178.608 179.266 -0.658 25284 2199 1 5 . 1 1 49 49 ALA CA C 49 56.247 56.247 55.036 1.211 25284 2200 1 5 . 1 1 49 49 ALA CB C 49 17.569 17.569 18.164 -0.595 25284 2201 1 5 . 1 1 49 49 ALA H H 49 8.747 8.747 8.185 0.562 25284 2202 1 5 . 1 1 50 50 ALA N N 50 119.691 119.691 121.694 -2.003 25284 2203 1 5 . 1 1 50 50 ALA HA H 50 4.269 4.269 4.246 0.023 25284 2204 1 5 . 1 1 50 50 ALA C C 50 181.310 181.310 179.576 1.734 25284 2205 1 5 . 1 1 50 50 ALA CA C 50 55.422 55.422 54.683 0.739 25284 2206 1 5 . 1 1 50 50 ALA CB C 50 18.171 18.171 18.261 -0.090 25284 2207 1 5 . 1 1 50 50 ALA H H 50 8.245 8.245 8.253 -0.008 25284 2208 1 5 . 1 1 51 51 ARG N N 51 119.913 119.913 119.189 0.724 25284 2209 1 5 . 1 1 51 51 ARG HA H 51 4.247 4.247 4.149 0.098 25284 2210 1 5 . 1 1 51 51 ARG C C 51 179.808 179.808 178.474 1.334 25284 2211 1 5 . 1 1 51 51 ARG CA C 51 59.673 59.673 58.820 0.853 25284 2212 1 5 . 1 1 51 51 ARG CB C 51 30.539 30.539 29.812 0.727 25284 2213 1 5 . 1 1 51 51 ARG H H 51 8.129 8.129 8.197 -0.068 25284 2214 1 5 . 1 1 52 52 LEU N N 52 120.624 120.624 118.963 1.661 25284 2215 1 5 . 1 1 52 52 LEU HA H 52 4.319 4.319 4.341 -0.022 25284 2216 1 5 . 1 1 52 52 LEU C C 52 179.192 179.192 179.079 0.113 25284 2217 1 5 . 1 1 52 52 LEU CA C 52 58.253 58.253 57.729 0.524 25284 2218 1 5 . 1 1 52 52 LEU CB C 52 42.812 42.812 41.697 1.115 25284 2219 1 5 . 1 1 52 52 LEU H H 52 8.423 8.423 7.374 1.049 25284 2220 1 5 . 1 1 53 53 GLU N N 53 119.779 119.779 120.153 -0.374 25284 2221 1 5 . 1 1 53 53 GLU HA H 53 4.108 4.108 4.042 0.066 25284 2222 1 5 . 1 1 53 53 GLU C C 53 179.388 179.388 179.575 -0.187 25284 2223 1 5 . 1 1 53 53 GLU CA C 53 60.211 60.211 59.834 0.377 25284 2224 1 5 . 1 1 53 53 GLU CB C 53 29.143 29.143 29.587 -0.445 25284 2225 1 5 . 1 1 53 53 GLU H H 53 8.974 8.974 8.708 0.266 25284 2226 1 5 . 1 1 54 54 SER N N 54 113.169 113.169 113.369 -0.200 25284 2227 1 5 . 1 1 54 54 SER HA H 54 4.384 4.384 4.232 0.152 25284 2228 1 5 . 1 1 54 54 SER C C 54 176.953 176.953 175.566 1.387 25284 2229 1 5 . 1 1 54 54 SER CA C 54 61.279 61.279 61.362 -0.083 25284 2230 1 5 . 1 1 54 54 SER CB C 54 63.402 63.402 63.207 0.195 25284 2231 1 5 . 1 1 54 54 SER H H 54 8.037 8.037 8.387 -0.350 25284 2232 1 5 . 1 1 55 55 ARG N N 55 120.851 120.851 121.101 -0.250 25284 2233 1 5 . 1 1 55 55 ARG HA H 55 4.100 4.100 4.114 -0.014 25284 2234 1 5 . 1 1 55 55 ARG C C 55 177.905 177.905 177.532 0.373 25284 2235 1 5 . 1 1 55 55 ARG CA C 55 58.949 58.949 57.959 0.990 25284 2236 1 5 . 1 1 55 55 ARG CB C 55 30.896 30.896 31.083 -0.187 25284 2237 1 5 . 1 1 55 55 ARG H H 55 8.099 8.099 7.486 0.613 25284 2238 1 5 . 1 1 56 56 TYR N N 56 113.669 113.669 115.813 -2.144 25284 2239 1 5 . 1 1 56 56 TYR HA H 56 4.687 4.687 4.591 0.096 25284 2240 1 5 . 1 1 56 56 TYR C C 56 176.069 176.069 175.598 0.471 25284 2241 1 5 . 1 1 56 56 TYR CA C 56 59.055 59.055 57.786 1.269 25284 2242 1 5 . 1 1 56 56 TYR CB C 56 39.465 39.465 38.807 0.658 25284 2243 1 5 . 1 1 56 56 TYR H H 56 8.158 8.158 8.013 0.145 25284 2244 1 5 . 1 1 57 57 GLY N N 57 109.856 109.856 108.056 1.800 25284 2245 1 5 . 1 1 57 57 GLY C C 57 174.642 174.642 173.908 0.734 25284 2246 1 5 . 1 1 57 57 GLY CA C 57 47.476 47.476 45.437 2.039 25284 2247 1 5 . 1 1 57 57 GLY H H 57 7.982 7.982 7.968 0.014 25284 2248 1 5 . 1 1 58 58 VAL N N 58 112.572 112.572 113.579 -1.007 25284 2249 1 5 . 1 1 58 58 VAL HA H 58 4.676 4.676 4.406 0.270 25284 2250 1 5 . 1 1 58 58 VAL C C 58 174.069 174.069 173.742 0.327 25284 2251 1 5 . 1 1 58 58 VAL CA C 58 59.313 59.313 60.540 -1.227 25284 2252 1 5 . 1 1 58 58 VAL CB C 58 34.744 34.744 33.659 1.085 25284 2253 1 5 . 1 1 58 58 VAL H H 58 7.497 7.497 7.527 -0.030 25284 2254 1 5 . 1 1 59 59 SER N N 59 117.179 117.179 115.407 1.772 25284 2255 1 5 . 1 1 59 59 SER HA H 59 4.846 4.846 5.233 -0.387 25284 2256 1 5 . 1 1 59 59 SER C C 59 173.699 173.699 172.950 0.749 25284 2257 1 5 . 1 1 59 59 SER CA C 59 57.401 57.401 57.217 0.184 25284 2258 1 5 . 1 1 59 59 SER CB C 59 64.502 64.502 64.923 -0.421 25284 2259 1 5 . 1 1 59 59 SER H H 59 8.489 8.489 8.151 0.338 25284 2260 1 5 . 1 1 60 60 ILE N N 60 125.858 125.858 126.516 -0.658 25284 2261 1 5 . 1 1 60 60 ILE HA H 60 4.651 4.651 4.467 0.184 25284 2262 1 5 . 1 1 60 60 ILE CA C 60 57.694 57.694 57.481 0.213 25284 2263 1 5 . 1 1 60 60 ILE CB C 60 40.500 40.500 40.153 0.347 25284 2264 1 5 . 1 1 60 60 ILE H H 60 8.222 8.222 8.482 -0.260 25284 2265 1 5 . 1 1 61 61 PRO HA H 61 4.530 4.530 4.585 -0.055 25284 2266 1 5 . 1 1 61 61 PRO C C 61 177.512 177.512 177.103 0.409 25284 2267 1 5 . 1 1 61 61 PRO CA C 61 63.561 63.561 62.658 0.903 25284 2268 1 5 . 1 1 61 61 PRO CB C 61 32.770 32.770 32.493 0.277 25284 2269 1 5 . 1 1 62 62 ASP N N 62 123.459 123.459 124.078 -0.619 25284 2270 1 5 . 1 1 62 62 ASP HA H 62 4.449 4.449 4.206 0.243 25284 2271 1 5 . 1 1 62 62 ASP C C 62 177.284 177.284 178.169 -0.885 25284 2272 1 5 . 1 1 62 62 ASP CA C 62 57.112 57.112 57.975 -0.863 25284 2273 1 5 . 1 1 62 62 ASP CB C 62 40.740 40.740 40.606 0.134 25284 2274 1 5 . 1 1 62 62 ASP H H 62 8.831 8.831 8.835 -0.003 25284 2275 1 5 . 1 1 63 63 ASP N N 63 116.794 116.794 119.470 -2.676 25284 2276 1 5 . 1 1 63 63 ASP HA H 63 4.529 4.529 4.384 0.145 25284 2277 1 5 . 1 1 63 63 ASP C C 63 177.294 177.294 178.426 -1.132 25284 2278 1 5 . 1 1 63 63 ASP CA C 63 54.956 54.956 56.958 -2.002 25284 2279 1 5 . 1 1 63 63 ASP CB C 63 39.687 39.687 40.461 -0.774 25284 2280 1 5 . 1 1 63 63 ASP H H 63 8.617 8.617 8.726 -0.109 25284 2281 1 5 . 1 1 64 64 VAL N N 64 119.209 119.209 118.930 0.279 25284 2282 1 5 . 1 1 64 64 VAL HA H 64 3.812 3.812 3.821 -0.009 25284 2283 1 5 . 1 1 64 64 VAL C C 64 177.556 177.556 177.497 0.059 25284 2284 1 5 . 1 1 64 64 VAL CA C 64 65.179 65.179 64.553 0.626 25284 2285 1 5 . 1 1 64 64 VAL CB C 64 32.413 32.413 31.598 0.815 25284 2286 1 5 . 1 1 64 64 VAL H H 64 7.407 7.407 7.780 -0.373 25284 2287 1 5 . 1 1 65 65 ALA N N 65 122.418 122.418 123.152 -0.734 25284 2288 1 5 . 1 1 65 65 ALA HA H 65 3.987 3.987 4.121 -0.134 25284 2289 1 5 . 1 1 65 65 ALA C C 65 177.994 177.994 178.376 -0.382 25284 2290 1 5 . 1 1 65 65 ALA CA C 65 54.842 54.842 54.230 0.612 25284 2291 1 5 . 1 1 65 65 ALA CB C 65 18.522 18.522 18.384 0.138 25284 2292 1 5 . 1 1 65 65 ALA H H 65 8.246 8.246 7.717 0.529 25284 2293 1 5 . 1 1 66 66 GLY N N 66 100.378 100.378 103.761 -3.383 25284 2294 1 5 . 1 1 66 66 GLY C C 66 174.387 174.387 174.943 -0.556 25284 2295 1 5 . 1 1 66 66 GLY CA C 66 46.015 46.015 45.248 0.766 25284 2296 1 5 . 1 1 66 66 GLY H H 66 8.021 8.021 7.693 0.328 25284 2297 1 5 . 1 1 67 67 ARG N N 67 116.838 116.838 119.466 -2.628 25284 2298 1 5 . 1 1 67 67 ARG HA H 67 4.623 4.623 4.582 0.041 25284 2299 1 5 . 1 1 67 67 ARG C C 67 176.509 176.509 175.844 0.665 25284 2300 1 5 . 1 1 67 67 ARG CA C 67 55.883 55.883 54.857 1.026 25284 2301 1 5 . 1 1 67 67 ARG CB C 67 31.911 31.911 30.490 1.421 25284 2302 1 5 . 1 1 67 67 ARG H H 67 7.483 7.483 7.759 -0.276 25284 2303 1 5 . 1 1 68 68 VAL N N 68 114.649 114.649 115.932 -1.283 25284 2304 1 5 . 1 1 68 68 VAL HA H 68 4.468 4.468 4.387 0.081 25284 2305 1 5 . 1 1 68 68 VAL C C 68 175.192 175.192 174.997 0.195 25284 2306 1 5 . 1 1 68 68 VAL CA C 68 61.819 61.819 59.966 1.853 25284 2307 1 5 . 1 1 68 68 VAL CB C 68 33.624 33.624 33.553 0.071 25284 2308 1 5 . 1 1 68 68 VAL H H 68 7.284 7.284 7.186 0.098 25284 2309 1 5 . 1 1 69 69 ASP N N 69 120.972 120.972 118.666 2.306 25284 2310 1 5 . 1 1 69 69 ASP HA H 69 5.264 5.264 4.973 0.291 25284 2311 1 5 . 1 1 69 69 ASP C C 69 176.970 176.970 175.556 1.414 25284 2312 1 5 . 1 1 69 69 ASP CA C 69 55.811 55.811 55.047 0.764 25284 2313 1 5 . 1 1 69 69 ASP CB C 69 44.441 44.441 43.998 0.443 25284 2314 1 5 . 1 1 69 69 ASP H H 69 9.167 9.167 8.488 0.679 25284 2315 1 5 . 1 1 70 70 THR N N 70 108.311 108.311 111.362 -3.051 25284 2316 1 5 . 1 1 70 70 THR HA H 70 4.939 4.939 5.241 -0.302 25284 2317 1 5 . 1 1 70 70 THR CA C 70 57.823 57.823 58.122 -0.299 25284 2318 1 5 . 1 1 70 70 THR CB C 70 71.412 71.412 70.652 0.760 25284 2319 1 5 . 1 1 70 70 THR H H 70 7.477 7.477 8.756 -1.279 25284 2320 1 5 . 1 1 71 71 PRO HA H 71 4.235 4.235 4.258 -0.023 25284 2321 1 5 . 1 1 71 71 PRO C C 71 177.422 177.422 177.787 -0.365 25284 2322 1 5 . 1 1 71 71 PRO CA C 71 66.002 66.002 65.390 0.612 25284 2323 1 5 . 1 1 71 71 PRO CB C 71 32.686 32.686 31.417 1.269 25284 2324 1 5 . 1 1 72 72 ARG N N 72 117.972 117.972 116.565 1.407 25284 2325 1 5 . 1 1 72 72 ARG HA H 72 3.609 3.609 3.937 -0.328 25284 2326 1 5 . 1 1 72 72 ARG C C 72 177.616 177.616 178.102 -0.486 25284 2327 1 5 . 1 1 72 72 ARG CA C 72 60.243 60.243 59.449 0.794 25284 2328 1 5 . 1 1 72 72 ARG CB C 72 30.524 30.524 29.150 1.374 25284 2329 1 5 . 1 1 72 72 ARG H H 72 9.016 9.016 7.902 1.114 25284 2330 1 5 . 1 1 73 73 GLU N N 73 116.790 116.790 120.785 -3.995 25284 2331 1 5 . 1 1 73 73 GLU HA H 73 4.242 4.242 4.103 0.139 25284 2332 1 5 . 1 1 73 73 GLU C C 73 180.200 180.200 178.949 1.251 25284 2333 1 5 . 1 1 73 73 GLU CA C 73 59.226 59.226 58.929 0.297 25284 2334 1 5 . 1 1 73 73 GLU CB C 73 30.069 30.069 29.462 0.607 25284 2335 1 5 . 1 1 73 73 GLU H H 73 7.838 7.838 7.688 0.150 25284 2336 1 5 . 1 1 74 74 LEU N N 74 120.656 120.656 121.774 -1.118 25284 2337 1 5 . 1 1 74 74 LEU HA H 74 4.313 4.313 4.120 0.193 25284 2338 1 5 . 1 1 74 74 LEU C C 74 177.023 177.023 178.381 -1.358 25284 2339 1 5 . 1 1 74 74 LEU CA C 74 58.179 58.179 57.666 0.513 25284 2340 1 5 . 1 1 74 74 LEU CB C 74 42.292 42.292 41.737 0.555 25284 2341 1 5 . 1 1 74 74 LEU H H 74 7.703 7.703 7.499 0.204 25284 2342 1 5 . 1 1 75 75 LEU N N 75 121.434 121.434 119.945 1.489 25284 2343 1 5 . 1 1 75 75 LEU HA H 75 3.894 3.894 3.933 -0.039 25284 2344 1 5 . 1 1 75 75 LEU C C 75 178.169 178.169 178.377 -0.208 25284 2345 1 5 . 1 1 75 75 LEU CA C 75 58.562 58.562 58.331 0.231 25284 2346 1 5 . 1 1 75 75 LEU CB C 75 42.408 42.408 41.592 0.817 25284 2347 1 5 . 1 1 75 75 LEU H H 75 8.743 8.743 8.581 0.162 25284 2348 1 5 . 1 1 76 76 ASP N N 76 117.849 117.849 119.031 -1.182 25284 2349 1 5 . 1 1 76 76 ASP HA H 76 4.488 4.488 4.366 0.122 25284 2350 1 5 . 1 1 76 76 ASP C C 76 180.127 180.127 178.408 1.719 25284 2351 1 5 . 1 1 76 76 ASP CA C 76 57.487 57.487 57.468 0.019 25284 2352 1 5 . 1 1 76 76 ASP CB C 76 40.085 40.085 40.854 -0.769 25284 2353 1 5 . 1 1 76 76 ASP H H 76 8.711 8.711 7.844 0.867 25284 2354 1 5 . 1 1 77 77 LEU N N 77 123.252 123.252 120.682 2.570 25284 2355 1 5 . 1 1 77 77 LEU HA H 77 4.303 4.303 3.938 0.365 25284 2356 1 5 . 1 1 77 77 LEU C C 77 180.621 180.621 179.123 1.498 25284 2357 1 5 . 1 1 77 77 LEU CA C 77 58.439 58.439 58.111 0.328 25284 2358 1 5 . 1 1 77 77 LEU CB C 77 42.905 42.905 41.800 1.105 25284 2359 1 5 . 1 1 77 77 LEU H H 77 8.009 8.009 7.766 0.243 25284 2360 1 5 . 1 1 78 78 ILE N N 78 120.216 120.216 119.520 0.696 25284 2361 1 5 . 1 1 78 78 ILE HA H 78 3.750 3.750 3.586 0.164 25284 2362 1 5 . 1 1 78 78 ILE C C 78 177.713 177.713 178.273 -0.560 25284 2363 1 5 . 1 1 78 78 ILE CA C 78 64.757 64.757 63.863 0.894 25284 2364 1 5 . 1 1 78 78 ILE CB C 78 37.402 37.402 36.401 1.001 25284 2365 1 5 . 1 1 78 78 ILE H H 78 8.294 8.294 8.089 0.205 25284 2366 1 5 . 1 1 79 79 ASN N N 79 118.191 118.191 118.807 -0.616 25284 2367 1 5 . 1 1 79 79 ASN HA H 79 4.912 4.912 4.315 0.597 25284 2368 1 5 . 1 1 79 79 ASN C C 79 179.524 179.524 178.063 1.461 25284 2369 1 5 . 1 1 79 79 ASN CA C 79 55.473 55.473 56.410 -0.937 25284 2370 1 5 . 1 1 79 79 ASN CB C 79 37.331 37.331 38.181 -0.850 25284 2371 1 5 . 1 1 79 79 ASN H H 79 8.887 8.887 8.686 0.201 25284 2372 1 5 . 1 1 80 80 GLY N N 80 110.387 110.387 107.545 2.842 25284 2373 1 5 . 1 1 80 80 GLY C C 80 175.783 175.783 175.529 0.254 25284 2374 1 5 . 1 1 80 80 GLY CA C 80 47.166 47.166 46.805 0.361 25284 2375 1 5 . 1 1 80 80 GLY H H 80 8.436 8.436 8.427 0.009 25284 2376 1 5 . 1 1 81 81 ALA N N 81 124.420 124.420 123.989 0.431 25284 2377 1 5 . 1 1 81 81 ALA HA H 81 4.460 4.460 4.081 0.379 25284 2378 1 5 . 1 1 81 81 ALA C C 81 179.892 179.892 179.093 0.799 25284 2379 1 5 . 1 1 81 81 ALA CA C 81 54.389 54.389 54.555 -0.166 25284 2380 1 5 . 1 1 81 81 ALA CB C 81 18.824 18.824 18.707 0.117 25284 2381 1 5 . 1 1 81 81 ALA H H 81 7.606 7.606 8.338 -0.732 25284 2382 1 5 . 1 1 82 82 LEU N N 82 120.239 120.239 120.371 -0.132 25284 2383 1 5 . 1 1 82 82 LEU HA H 82 4.214 4.214 4.121 0.093 25284 2384 1 5 . 1 1 82 82 LEU C C 82 178.884 178.884 177.990 0.894 25284 2385 1 5 . 1 1 82 82 LEU CA C 82 57.098 57.098 57.181 -0.083 25284 2386 1 5 . 1 1 82 82 LEU CB C 82 42.739 42.739 41.658 1.081 25284 2387 1 5 . 1 1 82 82 LEU H H 82 8.285 8.285 8.278 0.007 25284 2388 1 5 . 1 1 83 83 ALA N N 83 121.614 121.614 121.787 -0.173 25284 2389 1 5 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.061 0.238 25284 2390 1 5 . 1 1 83 83 ALA C C 83 178.788 178.788 179.237 -0.449 25284 2391 1 5 . 1 1 83 83 ALA CA C 83 54.049 54.049 54.898 -0.849 25284 2392 1 5 . 1 1 83 83 ALA CB C 83 18.944 18.944 18.048 0.896 25284 2393 1 5 . 1 1 83 83 ALA H H 83 7.973 7.973 7.759 0.214 25284 2394 1 5 . 1 1 84 84 GLU N N 84 117.412 117.412 118.436 -1.024 25284 2395 1 5 . 1 1 84 84 GLU HA H 84 4.385 4.385 4.170 0.215 25284 2396 1 5 . 1 1 84 84 GLU C C 84 176.406 176.406 178.348 -1.942 25284 2397 1 5 . 1 1 84 84 GLU CA C 84 56.872 56.872 57.647 -0.775 25284 2398 1 5 . 1 1 84 84 GLU CB C 84 29.773 29.773 29.813 -0.040 25284 2399 1 5 . 1 1 84 84 GLU H H 84 7.753 7.753 7.758 -0.005 25284 2400 1 5 . 1 1 85 85 ALA N N 85 124.256 124.256 122.229 2.027 25284 2401 1 5 . 1 1 85 85 ALA HA H 85 4.471 4.471 4.124 0.347 25284 2402 1 5 . 1 1 85 85 ALA C C 85 176.625 176.625 177.753 -1.128 25284 2403 1 5 . 1 1 85 85 ALA CA C 85 52.679 52.679 53.775 -1.096 25284 2404 1 5 . 1 1 85 85 ALA CB C 85 19.702 19.702 19.282 0.420 25284 2405 1 5 . 1 1 85 85 ALA H H 85 7.832 7.832 7.909 -0.077 25284 2406 1 6 . 1 1 2 2 ALA HA H 2 4.279 4.279 4.291 -0.012 25284 2407 1 6 . 1 1 2 2 ALA C C 2 173.785 173.785 178.298 -4.513 25284 2408 1 6 . 1 1 2 2 ALA CA C 2 52.136 52.136 53.579 -1.443 25284 2409 1 6 . 1 1 2 2 ALA CB C 2 20.083 20.083 19.267 0.816 25284 2410 1 6 . 1 1 3 3 THR N N 3 117.799 117.799 110.236 7.563 25284 2411 1 6 . 1 1 3 3 THR HA H 3 4.398 4.398 4.404 -0.006 25284 2412 1 6 . 1 1 3 3 THR C C 3 172.979 172.979 173.384 -0.405 25284 2413 1 6 . 1 1 3 3 THR CA C 3 62.907 62.907 61.544 1.363 25284 2414 1 6 . 1 1 3 3 THR CB C 3 70.082 70.082 67.158 2.924 25284 2415 1 6 . 1 1 3 3 THR H H 3 8.703 8.703 8.119 0.584 25284 2416 1 6 . 1 1 4 4 LEU N N 4 124.656 124.656 124.677 -0.021 25284 2417 1 6 . 1 1 4 4 LEU HA H 4 4.373 4.373 4.571 -0.198 25284 2418 1 6 . 1 1 4 4 LEU C C 4 177.215 177.215 175.359 1.856 25284 2419 1 6 . 1 1 4 4 LEU CA C 4 54.852 54.852 53.428 1.424 25284 2420 1 6 . 1 1 4 4 LEU CB C 4 42.864 42.864 45.353 -2.489 25284 2421 1 6 . 1 1 4 4 LEU H H 4 8.155 8.155 7.745 0.410 25284 2422 1 6 . 1 1 5 5 LEU N N 5 124.772 124.772 126.428 -1.656 25284 2423 1 6 . 1 1 5 5 LEU HA H 5 4.530 4.530 4.324 0.206 25284 2424 1 6 . 1 1 5 5 LEU C C 5 177.915 177.915 176.412 1.503 25284 2425 1 6 . 1 1 5 5 LEU CA C 5 55.564 55.564 54.359 1.205 25284 2426 1 6 . 1 1 5 5 LEU CB C 5 42.806 42.806 42.549 0.257 25284 2427 1 6 . 1 1 5 5 LEU H H 5 9.421 9.421 8.666 0.755 25284 2428 1 6 . 1 1 6 6 THR N N 6 115.077 115.077 117.084 -2.007 25284 2429 1 6 . 1 1 6 6 THR HA H 6 4.745 4.745 4.727 0.018 25284 2430 1 6 . 1 1 6 6 THR C C 6 175.958 175.958 175.503 0.455 25284 2431 1 6 . 1 1 6 6 THR CA C 6 60.159 60.159 60.596 -0.437 25284 2432 1 6 . 1 1 6 6 THR CB C 6 72.442 72.442 70.770 1.672 25284 2433 1 6 . 1 1 6 6 THR H H 6 9.006 9.006 9.463 -0.457 25284 2434 1 6 . 1 1 7 7 THR N N 7 115.895 115.895 113.014 2.881 25284 2435 1 6 . 1 1 7 7 THR HA H 7 3.867 3.867 4.230 -0.363 25284 2436 1 6 . 1 1 7 7 THR C C 7 176.622 176.622 176.849 -0.227 25284 2437 1 6 . 1 1 7 7 THR CA C 7 67.331 67.331 66.575 0.756 25284 2438 1 6 . 1 1 7 7 THR CB C 7 68.496 68.496 68.661 -0.165 25284 2439 1 6 . 1 1 7 7 THR H H 7 8.864 8.864 8.352 0.512 25284 2440 1 6 . 1 1 8 8 ASP N N 8 120.253 120.253 121.732 -1.479 25284 2441 1 6 . 1 1 8 8 ASP HA H 8 4.629 4.629 4.373 0.256 25284 2442 1 6 . 1 1 8 8 ASP C C 8 178.593 178.593 177.930 0.663 25284 2443 1 6 . 1 1 8 8 ASP CA C 8 57.740 57.740 58.021 -0.281 25284 2444 1 6 . 1 1 8 8 ASP CB C 8 41.273 41.273 40.727 0.546 25284 2445 1 6 . 1 1 8 8 ASP H H 8 8.289 8.289 8.532 -0.243 25284 2446 1 6 . 1 1 9 9 ASP N N 9 120.653 120.653 119.998 0.655 25284 2447 1 6 . 1 1 9 9 ASP HA H 9 4.560 4.560 4.389 0.171 25284 2448 1 6 . 1 1 9 9 ASP C C 9 179.465 179.465 178.669 0.796 25284 2449 1 6 . 1 1 9 9 ASP CA C 9 57.608 57.608 57.531 0.077 25284 2450 1 6 . 1 1 9 9 ASP CB C 9 41.559 41.559 40.938 0.621 25284 2451 1 6 . 1 1 9 9 ASP H H 9 7.916 7.916 7.714 0.202 25284 2452 1 6 . 1 1 10 10 LEU N N 10 121.585 121.585 121.540 0.045 25284 2453 1 6 . 1 1 10 10 LEU HA H 10 4.216 4.216 4.127 0.089 25284 2454 1 6 . 1 1 10 10 LEU C C 10 177.517 177.517 177.856 -0.339 25284 2455 1 6 . 1 1 10 10 LEU CA C 10 58.031 58.031 57.534 0.497 25284 2456 1 6 . 1 1 10 10 LEU CB C 10 42.146 42.146 41.928 0.218 25284 2457 1 6 . 1 1 10 10 LEU H H 10 8.086 8.086 7.873 0.213 25284 2458 1 6 . 1 1 11 11 ARG N N 11 120.099 120.099 118.996 1.103 25284 2459 1 6 . 1 1 11 11 ARG HA H 11 3.514 3.514 3.379 0.135 25284 2460 1 6 . 1 1 11 11 ARG C C 11 177.769 177.769 178.532 -0.763 25284 2461 1 6 . 1 1 11 11 ARG CA C 11 60.715 60.715 59.283 1.432 25284 2462 1 6 . 1 1 11 11 ARG CB C 11 30.775 30.775 29.672 1.103 25284 2463 1 6 . 1 1 11 11 ARG H H 11 8.852 8.852 8.444 0.408 25284 2464 1 6 . 1 1 12 12 ARG N N 12 115.840 115.840 118.812 -2.972 25284 2465 1 6 . 1 1 12 12 ARG HA H 12 4.032 4.032 4.011 0.021 25284 2466 1 6 . 1 1 12 12 ARG C C 12 178.492 178.492 178.244 0.248 25284 2467 1 6 . 1 1 12 12 ARG CA C 12 59.592 59.592 59.191 0.401 25284 2468 1 6 . 1 1 12 12 ARG CB C 12 30.583 30.583 30.201 0.382 25284 2469 1 6 . 1 1 12 12 ARG H H 12 7.996 7.996 7.669 0.327 25284 2470 1 6 . 1 1 13 13 ALA N N 13 120.184 120.184 123.546 -3.362 25284 2471 1 6 . 1 1 13 13 ALA HA H 13 4.401 4.401 4.339 0.062 25284 2472 1 6 . 1 1 13 13 ALA C C 13 180.114 180.114 179.608 0.506 25284 2473 1 6 . 1 1 13 13 ALA CA C 13 54.938 54.938 54.888 0.050 25284 2474 1 6 . 1 1 13 13 ALA CB C 13 18.756 18.756 18.677 0.079 25284 2475 1 6 . 1 1 13 13 ALA H H 13 7.705 7.705 7.950 -0.245 25284 2476 1 6 . 1 1 14 14 LEU N N 14 119.427 119.427 117.919 1.508 25284 2477 1 6 . 1 1 14 14 LEU HA H 14 4.424 4.424 4.139 0.285 25284 2478 1 6 . 1 1 14 14 LEU C C 14 179.766 179.766 177.968 1.798 25284 2479 1 6 . 1 1 14 14 LEU CA C 14 57.568 57.568 57.157 0.410 25284 2480 1 6 . 1 1 14 14 LEU CB C 14 42.039 42.039 41.951 0.088 25284 2481 1 6 . 1 1 14 14 LEU H H 14 8.424 8.424 8.494 -0.070 25284 2482 1 6 . 1 1 15 15 VAL N N 15 121.004 121.004 119.696 1.308 25284 2483 1 6 . 1 1 15 15 VAL HA H 15 3.920 3.920 3.676 0.244 25284 2484 1 6 . 1 1 15 15 VAL C C 15 179.014 179.014 178.350 0.664 25284 2485 1 6 . 1 1 15 15 VAL CA C 15 66.259 66.259 66.603 -0.344 25284 2486 1 6 . 1 1 15 15 VAL CB C 15 32.137 32.137 31.786 0.351 25284 2487 1 6 . 1 1 15 15 VAL H H 15 8.519 8.519 7.489 1.030 25284 2488 1 6 . 1 1 16 16 GLU N N 16 119.984 119.984 120.507 -0.523 25284 2489 1 6 . 1 1 16 16 GLU HA H 16 4.206 4.206 4.032 0.174 25284 2490 1 6 . 1 1 16 16 GLU C C 16 178.547 178.547 177.994 0.553 25284 2491 1 6 . 1 1 16 16 GLU CA C 16 59.042 59.042 59.336 -0.293 25284 2492 1 6 . 1 1 16 16 GLU CB C 16 29.692 29.692 29.663 0.029 25284 2493 1 6 . 1 1 16 16 GLU H H 16 8.218 8.218 8.097 0.121 25284 2494 1 6 . 1 1 17 17 SER N N 17 113.928 113.928 112.518 1.410 25284 2495 1 6 . 1 1 17 17 SER HA H 17 4.577 4.577 4.493 0.084 25284 2496 1 6 . 1 1 17 17 SER C C 17 174.273 174.273 173.726 0.547 25284 2497 1 6 . 1 1 17 17 SER CA C 17 59.940 59.940 58.705 1.235 25284 2498 1 6 . 1 1 17 17 SER CB C 17 64.378 64.378 63.311 1.067 25284 2499 1 6 . 1 1 17 17 SER H H 17 7.798 7.798 8.011 -0.213 25284 2500 1 6 . 1 1 18 18 ALA N N 18 123.357 123.357 124.908 -1.551 25284 2501 1 6 . 1 1 18 18 ALA HA H 18 4.347 4.347 4.361 -0.014 25284 2502 1 6 . 1 1 18 18 ALA C C 18 178.292 178.292 177.160 1.132 25284 2503 1 6 . 1 1 18 18 ALA CA C 18 52.991 52.991 52.041 0.950 25284 2504 1 6 . 1 1 18 18 ALA CB C 18 19.965 19.965 18.657 1.308 25284 2505 1 6 . 1 1 18 18 ALA H H 18 7.813 7.813 7.405 0.408 25284 2506 1 6 . 1 1 19 19 GLY N N 19 107.711 107.711 111.159 -3.448 25284 2507 1 6 . 1 1 19 19 GLY C C 19 174.440 174.440 174.208 0.232 25284 2508 1 6 . 1 1 19 19 GLY CA C 19 45.650 45.650 45.485 0.165 25284 2509 1 6 . 1 1 19 19 GLY H H 19 8.256 8.256 8.378 -0.122 25284 2510 1 6 . 1 1 20 20 GLU N N 20 120.763 120.763 120.246 0.517 25284 2511 1 6 . 1 1 20 20 GLU HA H 20 4.477 4.477 4.584 -0.107 25284 2512 1 6 . 1 1 20 20 GLU C C 20 176.905 176.905 175.742 1.163 25284 2513 1 6 . 1 1 20 20 GLU CA C 20 56.896 56.896 55.516 1.380 25284 2514 1 6 . 1 1 20 20 GLU CB C 20 30.160 30.160 28.828 1.332 25284 2515 1 6 . 1 1 20 20 GLU H H 20 8.508 8.508 8.121 0.387 25284 2516 1 6 . 1 1 21 21 THR N N 21 114.316 114.316 116.679 -2.363 25284 2517 1 6 . 1 1 21 21 THR HA H 21 4.529 4.529 4.309 0.220 25284 2518 1 6 . 1 1 21 21 THR C C 21 174.564 174.564 172.771 1.793 25284 2519 1 6 . 1 1 21 21 THR CA C 21 61.942 61.942 61.852 0.090 25284 2520 1 6 . 1 1 21 21 THR CB C 21 70.323 70.323 69.864 0.459 25284 2521 1 6 . 1 1 21 21 THR H H 21 8.258 8.258 8.288 -0.030 25284 2522 1 6 . 1 1 22 22 ASP N N 22 122.479 122.479 121.559 0.920 25284 2523 1 6 . 1 1 22 22 ASP HA H 22 4.728 4.728 4.805 -0.077 25284 2524 1 6 . 1 1 22 22 ASP C C 22 176.913 176.913 175.994 0.919 25284 2525 1 6 . 1 1 22 22 ASP CA C 22 54.806 54.806 53.451 1.355 25284 2526 1 6 . 1 1 22 22 ASP CB C 22 41.144 41.144 42.007 -0.863 25284 2527 1 6 . 1 1 22 22 ASP H H 22 8.506 8.506 8.343 0.163 25284 2528 1 6 . 1 1 23 23 GLY N N 23 109.608 109.608 112.636 -3.028 25284 2529 1 6 . 1 1 23 23 GLY C C 23 174.806 174.806 174.896 -0.090 25284 2530 1 6 . 1 1 23 23 GLY CA C 23 45.969 45.969 45.352 0.617 25284 2531 1 6 . 1 1 23 23 GLY H H 23 8.503 8.503 8.553 -0.050 25284 2532 1 6 . 1 1 24 24 THR N N 24 116.205 116.205 116.228 -0.023 25284 2533 1 6 . 1 1 24 24 THR HA H 24 4.333 4.333 4.240 0.093 25284 2534 1 6 . 1 1 24 24 THR C C 24 174.247 174.247 174.539 -0.292 25284 2535 1 6 . 1 1 24 24 THR CA C 24 63.240 63.240 61.138 2.102 25284 2536 1 6 . 1 1 24 24 THR CB C 24 70.056 70.056 69.757 0.299 25284 2537 1 6 . 1 1 24 24 THR H H 24 8.152 8.152 8.068 0.084 25284 2538 1 6 . 1 1 25 25 ASP N N 25 124.096 124.096 120.527 3.569 25284 2539 1 6 . 1 1 25 25 ASP HA H 25 4.718 4.718 4.782 -0.064 25284 2540 1 6 . 1 1 25 25 ASP C C 25 176.223 176.223 175.489 0.734 25284 2541 1 6 . 1 1 25 25 ASP CA C 25 54.536 54.536 53.694 0.842 25284 2542 1 6 . 1 1 25 25 ASP CB C 25 41.163 41.163 42.056 -0.893 25284 2543 1 6 . 1 1 25 25 ASP H H 25 8.620 8.620 8.450 0.170 25284 2544 1 6 . 1 1 26 26 LEU N N 26 123.934 123.934 126.039 -2.105 25284 2545 1 6 . 1 1 26 26 LEU HA H 26 4.365 4.365 4.628 -0.263 25284 2546 1 6 . 1 1 26 26 LEU C C 26 176.356 176.356 176.503 -0.147 25284 2547 1 6 . 1 1 26 26 LEU CA C 26 54.374 54.374 54.172 0.202 25284 2548 1 6 . 1 1 26 26 LEU CB C 26 41.235 41.235 41.983 -0.748 25284 2549 1 6 . 1 1 26 26 LEU H H 26 8.482 8.482 8.628 -0.146 25284 2550 1 6 . 1 1 27 27 SER N N 27 115.330 115.330 114.682 0.648 25284 2551 1 6 . 1 1 27 27 SER HA H 27 4.300 4.300 4.471 -0.171 25284 2552 1 6 . 1 1 27 27 SER C C 27 175.077 175.077 175.576 -0.499 25284 2553 1 6 . 1 1 27 27 SER CA C 27 59.917 59.917 58.973 0.944 25284 2554 1 6 . 1 1 27 27 SER CB C 27 64.229 64.229 63.862 0.367 25284 2555 1 6 . 1 1 27 27 SER H H 27 8.214 8.214 8.465 -0.251 25284 2556 1 6 . 1 1 28 28 GLY N N 28 111.630 111.630 110.670 0.960 25284 2557 1 6 . 1 1 28 28 GLY C C 28 174.303 174.303 173.608 0.695 25284 2558 1 6 . 1 1 28 28 GLY CA C 28 45.500 45.500 45.730 -0.230 25284 2559 1 6 . 1 1 28 28 GLY H H 28 8.592 8.592 7.930 0.662 25284 2560 1 6 . 1 1 29 29 ASP N N 29 123.552 123.552 118.923 4.629 25284 2561 1 6 . 1 1 29 29 ASP HA H 29 4.851 4.851 4.666 0.185 25284 2562 1 6 . 1 1 29 29 ASP C C 29 176.494 176.494 175.048 1.446 25284 2563 1 6 . 1 1 29 29 ASP CA C 29 54.312 54.312 54.498 -0.186 25284 2564 1 6 . 1 1 29 29 ASP CB C 29 39.771 39.771 42.458 -2.687 25284 2565 1 6 . 1 1 29 29 ASP H H 29 8.690 8.690 7.920 0.770 25284 2566 1 6 . 1 1 30 30 PHE N N 30 122.578 122.578 121.227 1.351 25284 2567 1 6 . 1 1 30 30 PHE HA H 30 4.764 4.764 4.776 -0.012 25284 2568 1 6 . 1 1 30 30 PHE C C 30 175.529 175.529 174.099 1.430 25284 2569 1 6 . 1 1 30 30 PHE CA C 30 57.493 57.493 56.695 0.798 25284 2570 1 6 . 1 1 30 30 PHE CB C 30 40.639 40.639 39.082 1.557 25284 2571 1 6 . 1 1 30 30 PHE H H 30 8.076 8.076 8.389 -0.313 25284 2572 1 6 . 1 1 31 31 LEU N N 31 119.188 119.188 119.870 -0.682 25284 2573 1 6 . 1 1 31 31 LEU HA H 31 3.302 3.302 3.846 -0.544 25284 2574 1 6 . 1 1 31 31 LEU C C 31 176.503 176.503 177.432 -0.929 25284 2575 1 6 . 1 1 31 31 LEU CA C 31 57.940 57.940 56.128 1.812 25284 2576 1 6 . 1 1 31 31 LEU CB C 31 42.218 42.218 41.326 0.892 25284 2577 1 6 . 1 1 31 31 LEU H H 31 7.535 7.535 7.721 -0.186 25284 2578 1 6 . 1 1 32 32 ASP N N 32 112.101 112.101 117.464 -5.363 25284 2579 1 6 . 1 1 32 32 ASP HA H 32 5.047 5.047 4.654 0.393 25284 2580 1 6 . 1 1 32 32 ASP C C 32 176.064 176.064 174.618 1.446 25284 2581 1 6 . 1 1 32 32 ASP CA C 32 53.755 53.755 53.087 0.667 25284 2582 1 6 . 1 1 32 32 ASP CB C 32 41.824 41.824 41.397 0.427 25284 2583 1 6 . 1 1 32 32 ASP H H 32 8.087 8.087 8.510 -0.423 25284 2584 1 6 . 1 1 33 33 LEU N N 33 122.380 122.380 121.527 0.853 25284 2585 1 6 . 1 1 33 33 LEU HA H 33 4.309 4.309 4.520 -0.211 25284 2586 1 6 . 1 1 33 33 LEU C C 33 174.879 174.879 175.752 -0.873 25284 2587 1 6 . 1 1 33 33 LEU CA C 33 54.566 54.566 53.571 0.995 25284 2588 1 6 . 1 1 33 33 LEU CB C 33 42.528 42.528 43.584 -1.056 25284 2589 1 6 . 1 1 33 33 LEU H H 33 7.222 7.222 6.896 0.326 25284 2590 1 6 . 1 1 34 34 ARG N N 34 116.439 116.439 124.533 -8.094 25284 2591 1 6 . 1 1 34 34 ARG HA H 34 4.725 4.725 4.405 0.320 25284 2592 1 6 . 1 1 34 34 ARG C C 34 179.778 179.778 177.370 2.408 25284 2593 1 6 . 1 1 34 34 ARG CA C 34 55.536 55.536 56.362 -0.826 25284 2594 1 6 . 1 1 34 34 ARG CB C 34 30.173 30.173 30.751 -0.578 25284 2595 1 6 . 1 1 34 34 ARG H H 34 8.487 8.487 8.517 -0.030 25284 2596 1 6 . 1 1 35 35 PHE N N 35 123.548 123.548 121.877 1.671 25284 2597 1 6 . 1 1 35 35 PHE HA H 35 4.385 4.385 4.244 0.141 25284 2598 1 6 . 1 1 35 35 PHE C C 35 178.776 178.776 177.797 0.979 25284 2599 1 6 . 1 1 35 35 PHE CA C 35 63.121 63.121 62.767 0.354 25284 2600 1 6 . 1 1 35 35 PHE CB C 35 37.967 37.967 38.562 -0.595 25284 2601 1 6 . 1 1 35 35 PHE H H 35 8.455 8.455 8.579 -0.124 25284 2602 1 6 . 1 1 36 36 GLU N N 36 117.380 117.380 118.809 -1.429 25284 2603 1 6 . 1 1 36 36 GLU HA H 36 4.358 4.358 4.110 0.248 25284 2604 1 6 . 1 1 36 36 GLU C C 36 178.612 178.612 178.967 -0.355 25284 2605 1 6 . 1 1 36 36 GLU CA C 36 59.145 59.145 59.152 -0.007 25284 2606 1 6 . 1 1 36 36 GLU CB C 36 29.301 29.301 29.321 -0.020 25284 2607 1 6 . 1 1 36 36 GLU H H 36 9.560 9.560 8.734 0.826 25284 2608 1 6 . 1 1 37 37 ASP N N 37 118.596 118.596 119.954 -1.358 25284 2609 1 6 . 1 1 37 37 ASP HA H 37 4.810 4.810 4.557 0.253 25284 2610 1 6 . 1 1 37 37 ASP C C 37 177.993 177.993 177.443 0.550 25284 2611 1 6 . 1 1 37 37 ASP CA C 37 56.474 56.474 56.219 0.255 25284 2612 1 6 . 1 1 37 37 ASP CB C 37 41.411 41.411 41.097 0.314 25284 2613 1 6 . 1 1 37 37 ASP H H 37 7.546 7.546 7.594 -0.048 25284 2614 1 6 . 1 1 38 38 ILE N N 38 113.080 113.080 113.311 -0.231 25284 2615 1 6 . 1 1 38 38 ILE HA H 38 4.663 4.663 4.564 0.099 25284 2616 1 6 . 1 1 38 38 ILE C C 38 176.140 176.140 176.021 0.119 25284 2617 1 6 . 1 1 38 38 ILE CA C 38 62.038 62.038 60.510 1.528 25284 2618 1 6 . 1 1 38 38 ILE CB C 38 38.755 38.755 37.382 1.373 25284 2619 1 6 . 1 1 38 38 ILE H H 38 7.725 7.725 7.416 0.309 25284 2620 1 6 . 1 1 39 39 GLY N N 39 107.376 107.376 108.967 -1.591 25284 2621 1 6 . 1 1 39 39 GLY C C 39 174.497 174.497 174.087 0.410 25284 2622 1 6 . 1 1 39 39 GLY CA C 39 46.580 46.580 45.720 0.860 25284 2623 1 6 . 1 1 39 39 GLY H H 39 7.736 7.736 7.618 0.118 25284 2624 1 6 . 1 1 40 40 TYR N N 40 121.883 121.883 120.879 1.004 25284 2625 1 6 . 1 1 40 40 TYR HA H 40 4.583 4.583 4.625 -0.042 25284 2626 1 6 . 1 1 40 40 TYR C C 40 174.479 174.479 174.932 -0.453 25284 2627 1 6 . 1 1 40 40 TYR CA C 40 58.153 58.153 58.467 -0.314 25284 2628 1 6 . 1 1 40 40 TYR CB C 40 40.535 40.535 38.871 1.664 25284 2629 1 6 . 1 1 40 40 TYR H H 40 8.059 8.059 8.456 -0.397 25284 2630 1 6 . 1 1 41 41 ASP N N 41 124.021 124.021 124.800 -0.779 25284 2631 1 6 . 1 1 41 41 ASP HA H 41 4.739 4.739 4.712 0.027 25284 2632 1 6 . 1 1 41 41 ASP C C 41 175.831 175.831 177.176 -1.345 25284 2633 1 6 . 1 1 41 41 ASP CA C 41 52.669 52.669 53.955 -1.286 25284 2634 1 6 . 1 1 41 41 ASP CB C 41 42.015 42.015 42.462 -0.447 25284 2635 1 6 . 1 1 41 41 ASP H H 41 7.992 7.992 8.364 -0.372 25284 2636 1 6 . 1 1 42 42 SER N N 42 114.198 114.198 115.570 -1.372 25284 2637 1 6 . 1 1 42 42 SER HA H 42 4.272 4.272 4.222 0.050 25284 2638 1 6 . 1 1 42 42 SER C C 42 176.102 176.102 176.825 -0.723 25284 2639 1 6 . 1 1 42 42 SER CA C 42 60.657 60.657 61.733 -1.075 25284 2640 1 6 . 1 1 42 42 SER CB C 42 66.110 66.110 62.898 3.212 25284 2641 1 6 . 1 1 43 43 LEU N N 43 124.254 124.254 120.477 3.777 25284 2642 1 6 . 1 1 43 43 LEU HA H 43 4.269 4.269 4.102 0.167 25284 2643 1 6 . 1 1 43 43 LEU C C 43 179.140 179.140 178.879 0.261 25284 2644 1 6 . 1 1 43 43 LEU CA C 43 58.567 58.567 57.576 0.991 25284 2645 1 6 . 1 1 43 43 LEU CB C 43 41.178 41.178 40.979 0.199 25284 2646 1 6 . 1 1 43 43 LEU H H 43 7.792 7.792 8.132 -0.340 25284 2647 1 6 . 1 1 44 44 ALA N N 44 123.473 123.473 121.627 1.846 25284 2648 1 6 . 1 1 44 44 ALA HA H 44 4.318 4.318 4.106 0.212 25284 2649 1 6 . 1 1 44 44 ALA C C 44 181.903 181.903 180.026 1.877 25284 2650 1 6 . 1 1 44 44 ALA CA C 44 55.068 55.068 55.090 -0.022 25284 2651 1 6 . 1 1 44 44 ALA CB C 44 18.556 18.556 18.220 0.336 25284 2652 1 6 . 1 1 44 44 ALA H H 44 8.140 8.140 8.248 -0.108 25284 2653 1 6 . 1 1 45 45 LEU N N 45 121.524 121.524 120.473 1.051 25284 2654 1 6 . 1 1 45 45 LEU HA H 45 3.898 3.898 4.017 -0.119 25284 2655 1 6 . 1 1 45 45 LEU C C 45 179.040 179.040 178.549 0.491 25284 2656 1 6 . 1 1 45 45 LEU CA C 45 58.475 58.475 57.767 0.708 25284 2657 1 6 . 1 1 45 45 LEU CB C 45 41.780 41.780 40.997 0.783 25284 2658 1 6 . 1 1 45 45 LEU H H 45 8.442 8.442 8.075 0.367 25284 2659 1 6 . 1 1 46 46 MET N N 46 119.769 119.769 118.498 1.271 25284 2660 1 6 . 1 1 46 46 MET HA H 46 4.265 4.265 3.882 0.383 25284 2661 1 6 . 1 1 46 46 MET C C 46 180.609 180.609 178.601 2.008 25284 2662 1 6 . 1 1 46 46 MET CA C 46 58.853 58.853 59.902 -1.049 25284 2663 1 6 . 1 1 46 46 MET CB C 46 32.119 32.119 31.909 0.210 25284 2664 1 6 . 1 1 46 46 MET H H 46 8.234 8.234 7.806 0.428 25284 2665 1 6 . 1 1 47 47 GLU N N 47 121.097 121.097 118.830 2.267 25284 2666 1 6 . 1 1 47 47 GLU HA H 47 4.228 4.228 4.034 0.194 25284 2667 1 6 . 1 1 47 47 GLU C C 47 179.333 179.333 179.611 -0.278 25284 2668 1 6 . 1 1 47 47 GLU CA C 47 59.644 59.644 59.561 0.083 25284 2669 1 6 . 1 1 47 47 GLU CB C 47 28.977 28.977 29.121 -0.144 25284 2670 1 6 . 1 1 47 47 GLU H H 47 8.517 8.517 8.369 0.148 25284 2671 1 6 . 1 1 48 48 THR N N 48 118.834 118.834 115.861 2.973 25284 2672 1 6 . 1 1 48 48 THR HA H 48 3.961 3.961 4.108 -0.147 25284 2673 1 6 . 1 1 48 48 THR C C 48 176.348 176.348 176.535 -0.187 25284 2674 1 6 . 1 1 48 48 THR CA C 48 67.842 67.842 65.911 1.931 25284 2675 1 6 . 1 1 48 48 THR CB C 48 68.056 68.056 68.682 -0.626 25284 2676 1 6 . 1 1 48 48 THR H H 48 8.325 8.325 7.870 0.455 25284 2677 1 6 . 1 1 49 49 ALA N N 49 123.924 123.924 123.290 0.634 25284 2678 1 6 . 1 1 49 49 ALA HA H 49 3.926 3.926 4.015 -0.089 25284 2679 1 6 . 1 1 49 49 ALA C C 49 178.608 178.608 179.349 -0.741 25284 2680 1 6 . 1 1 49 49 ALA CA C 49 56.247 56.247 55.016 1.231 25284 2681 1 6 . 1 1 49 49 ALA CB C 49 17.569 17.569 18.141 -0.572 25284 2682 1 6 . 1 1 49 49 ALA H H 49 8.747 8.747 8.380 0.367 25284 2683 1 6 . 1 1 50 50 ALA N N 50 119.691 119.691 120.891 -1.200 25284 2684 1 6 . 1 1 50 50 ALA HA H 50 4.269 4.269 4.338 -0.069 25284 2685 1 6 . 1 1 50 50 ALA C C 50 181.310 181.310 179.372 1.938 25284 2686 1 6 . 1 1 50 50 ALA CA C 50 55.422 55.422 54.922 0.500 25284 2687 1 6 . 1 1 50 50 ALA CB C 50 18.171 18.171 18.280 -0.109 25284 2688 1 6 . 1 1 50 50 ALA H H 50 8.245 8.245 8.614 -0.369 25284 2689 1 6 . 1 1 51 51 ARG N N 51 119.913 119.913 118.339 1.574 25284 2690 1 6 . 1 1 51 51 ARG HA H 51 4.247 4.247 4.161 0.086 25284 2691 1 6 . 1 1 51 51 ARG C C 51 179.808 179.808 178.693 1.115 25284 2692 1 6 . 1 1 51 51 ARG CA C 51 59.673 59.673 58.671 1.002 25284 2693 1 6 . 1 1 51 51 ARG CB C 51 30.539 30.539 29.774 0.765 25284 2694 1 6 . 1 1 51 51 ARG H H 51 8.129 8.129 7.801 0.328 25284 2695 1 6 . 1 1 52 52 LEU N N 52 120.624 120.624 119.597 1.027 25284 2696 1 6 . 1 1 52 52 LEU HA H 52 4.319 4.319 4.340 -0.021 25284 2697 1 6 . 1 1 52 52 LEU C C 52 179.192 179.192 178.711 0.481 25284 2698 1 6 . 1 1 52 52 LEU CA C 52 58.253 58.253 57.452 0.801 25284 2699 1 6 . 1 1 52 52 LEU CB C 52 42.812 42.812 41.954 0.858 25284 2700 1 6 . 1 1 52 52 LEU H H 52 8.423 8.423 7.741 0.682 25284 2701 1 6 . 1 1 53 53 GLU N N 53 119.779 119.779 120.108 -0.329 25284 2702 1 6 . 1 1 53 53 GLU HA H 53 4.108 4.108 3.907 0.201 25284 2703 1 6 . 1 1 53 53 GLU C C 53 179.388 179.388 179.270 0.118 25284 2704 1 6 . 1 1 53 53 GLU CA C 53 60.211 60.211 60.022 0.189 25284 2705 1 6 . 1 1 53 53 GLU CB C 53 29.143 29.143 29.357 -0.214 25284 2706 1 6 . 1 1 53 53 GLU H H 53 8.974 8.974 8.744 0.230 25284 2707 1 6 . 1 1 54 54 SER N N 54 113.169 113.169 113.390 -0.221 25284 2708 1 6 . 1 1 54 54 SER HA H 54 4.384 4.384 4.137 0.247 25284 2709 1 6 . 1 1 54 54 SER C C 54 176.953 176.953 176.100 0.853 25284 2710 1 6 . 1 1 54 54 SER CA C 54 61.279 61.279 61.775 -0.496 25284 2711 1 6 . 1 1 54 54 SER CB C 54 63.402 63.402 63.272 0.130 25284 2712 1 6 . 1 1 54 54 SER H H 54 8.037 8.037 8.120 -0.083 25284 2713 1 6 . 1 1 55 55 ARG N N 55 120.851 120.851 119.931 0.920 25284 2714 1 6 . 1 1 55 55 ARG HA H 55 4.100 4.100 4.080 0.020 25284 2715 1 6 . 1 1 55 55 ARG C C 55 177.905 177.905 177.857 0.048 25284 2716 1 6 . 1 1 55 55 ARG CA C 55 58.949 58.949 58.259 0.690 25284 2717 1 6 . 1 1 55 55 ARG CB C 55 30.896 30.896 30.247 0.649 25284 2718 1 6 . 1 1 55 55 ARG H H 55 8.099 8.099 7.664 0.435 25284 2719 1 6 . 1 1 56 56 TYR N N 56 113.669 113.669 115.695 -2.026 25284 2720 1 6 . 1 1 56 56 TYR HA H 56 4.687 4.687 4.476 0.211 25284 2721 1 6 . 1 1 56 56 TYR C C 56 176.069 176.069 175.684 0.385 25284 2722 1 6 . 1 1 56 56 TYR CA C 56 59.055 59.055 58.777 0.278 25284 2723 1 6 . 1 1 56 56 TYR CB C 56 39.465 39.465 38.969 0.496 25284 2724 1 6 . 1 1 56 56 TYR H H 56 8.158 8.158 8.002 0.156 25284 2725 1 6 . 1 1 57 57 GLY N N 57 109.856 109.856 108.289 1.567 25284 2726 1 6 . 1 1 57 57 GLY C C 57 174.642 174.642 174.350 0.292 25284 2727 1 6 . 1 1 57 57 GLY CA C 57 47.476 47.476 45.523 1.953 25284 2728 1 6 . 1 1 57 57 GLY H H 57 7.982 7.982 8.011 -0.029 25284 2729 1 6 . 1 1 58 58 VAL N N 58 112.572 112.572 113.533 -0.961 25284 2730 1 6 . 1 1 58 58 VAL HA H 58 4.676 4.676 4.572 0.104 25284 2731 1 6 . 1 1 58 58 VAL C C 58 174.069 174.069 173.669 0.400 25284 2732 1 6 . 1 1 58 58 VAL CA C 58 59.313 59.313 59.352 -0.039 25284 2733 1 6 . 1 1 58 58 VAL CB C 58 34.744 34.744 34.800 -0.056 25284 2734 1 6 . 1 1 58 58 VAL H H 58 7.497 7.497 7.480 0.017 25284 2735 1 6 . 1 1 59 59 SER N N 59 117.179 117.179 114.660 2.519 25284 2736 1 6 . 1 1 59 59 SER HA H 59 4.846 4.846 4.835 0.011 25284 2737 1 6 . 1 1 59 59 SER C C 59 173.699 173.699 173.088 0.611 25284 2738 1 6 . 1 1 59 59 SER CA C 59 57.401 57.401 57.383 0.018 25284 2739 1 6 . 1 1 59 59 SER CB C 59 64.502 64.502 64.759 -0.257 25284 2740 1 6 . 1 1 59 59 SER H H 59 8.489 8.489 7.971 0.518 25284 2741 1 6 . 1 1 60 60 ILE N N 60 125.858 125.858 126.018 -0.160 25284 2742 1 6 . 1 1 60 60 ILE HA H 60 4.651 4.651 4.541 0.110 25284 2743 1 6 . 1 1 60 60 ILE CA C 60 57.694 57.694 58.319 -0.625 25284 2744 1 6 . 1 1 60 60 ILE CB C 60 40.500 40.500 39.898 0.602 25284 2745 1 6 . 1 1 60 60 ILE H H 60 8.222 8.222 9.146 -0.924 25284 2746 1 6 . 1 1 61 61 PRO HA H 61 4.530 4.530 4.520 0.010 25284 2747 1 6 . 1 1 61 61 PRO C C 61 177.512 177.512 176.859 0.653 25284 2748 1 6 . 1 1 61 61 PRO CA C 61 63.561 63.561 62.735 0.826 25284 2749 1 6 . 1 1 61 61 PRO CB C 61 32.770 32.770 32.441 0.329 25284 2750 1 6 . 1 1 62 62 ASP N N 62 123.459 123.459 123.014 0.445 25284 2751 1 6 . 1 1 62 62 ASP HA H 62 4.449 4.449 4.190 0.259 25284 2752 1 6 . 1 1 62 62 ASP C C 62 177.284 177.284 178.399 -1.115 25284 2753 1 6 . 1 1 62 62 ASP CA C 62 57.112 57.112 58.131 -1.019 25284 2754 1 6 . 1 1 62 62 ASP CB C 62 40.740 40.740 40.834 -0.094 25284 2755 1 6 . 1 1 62 62 ASP H H 62 8.831 8.831 8.753 0.078 25284 2756 1 6 . 1 1 63 63 ASP N N 63 116.794 116.794 117.521 -0.727 25284 2757 1 6 . 1 1 63 63 ASP HA H 63 4.529 4.529 4.388 0.141 25284 2758 1 6 . 1 1 63 63 ASP C C 63 177.294 177.294 178.575 -1.281 25284 2759 1 6 . 1 1 63 63 ASP CA C 63 54.956 54.956 56.859 -1.903 25284 2760 1 6 . 1 1 63 63 ASP CB C 63 39.687 39.687 40.849 -1.162 25284 2761 1 6 . 1 1 63 63 ASP H H 63 8.617 8.617 8.614 0.003 25284 2762 1 6 . 1 1 64 64 VAL N N 64 119.209 119.209 120.549 -1.340 25284 2763 1 6 . 1 1 64 64 VAL HA H 64 3.812 3.812 3.729 0.083 25284 2764 1 6 . 1 1 64 64 VAL C C 64 177.556 177.556 177.969 -0.413 25284 2765 1 6 . 1 1 64 64 VAL CA C 64 65.179 65.179 64.955 0.224 25284 2766 1 6 . 1 1 64 64 VAL CB C 64 32.413 32.413 31.651 0.762 25284 2767 1 6 . 1 1 64 64 VAL H H 64 7.407 7.407 7.367 0.040 25284 2768 1 6 . 1 1 65 65 ALA N N 65 122.418 122.418 122.549 -0.131 25284 2769 1 6 . 1 1 65 65 ALA HA H 65 3.987 3.987 4.133 -0.146 25284 2770 1 6 . 1 1 65 65 ALA C C 65 177.994 177.994 179.110 -1.116 25284 2771 1 6 . 1 1 65 65 ALA CA C 65 54.842 54.842 54.984 -0.142 25284 2772 1 6 . 1 1 65 65 ALA CB C 65 18.522 18.522 18.234 0.288 25284 2773 1 6 . 1 1 65 65 ALA H H 65 8.246 8.246 8.008 0.238 25284 2774 1 6 . 1 1 66 66 GLY N N 66 100.378 100.378 103.572 -3.194 25284 2775 1 6 . 1 1 66 66 GLY C C 66 174.387 174.387 175.226 -0.839 25284 2776 1 6 . 1 1 66 66 GLY CA C 66 46.015 46.015 44.576 1.439 25284 2777 1 6 . 1 1 66 66 GLY H H 66 8.021 8.021 7.515 0.506 25284 2778 1 6 . 1 1 67 67 ARG N N 67 116.838 116.838 119.410 -2.572 25284 2779 1 6 . 1 1 67 67 ARG HA H 67 4.623 4.623 4.579 0.044 25284 2780 1 6 . 1 1 67 67 ARG C C 67 176.509 176.509 175.739 0.770 25284 2781 1 6 . 1 1 67 67 ARG CA C 67 55.883 55.883 54.736 1.147 25284 2782 1 6 . 1 1 67 67 ARG CB C 67 31.911 31.911 30.100 1.811 25284 2783 1 6 . 1 1 67 67 ARG H H 67 7.483 7.483 7.857 -0.374 25284 2784 1 6 . 1 1 68 68 VAL N N 68 114.649 114.649 116.743 -2.094 25284 2785 1 6 . 1 1 68 68 VAL HA H 68 4.468 4.468 4.256 0.212 25284 2786 1 6 . 1 1 68 68 VAL C C 68 175.192 175.192 175.992 -0.800 25284 2787 1 6 . 1 1 68 68 VAL CA C 68 61.819 61.819 60.699 1.120 25284 2788 1 6 . 1 1 68 68 VAL CB C 68 33.624 33.624 33.004 0.620 25284 2789 1 6 . 1 1 68 68 VAL H H 68 7.284 7.284 7.266 0.018 25284 2790 1 6 . 1 1 69 69 ASP N N 69 120.972 120.972 115.489 5.483 25284 2791 1 6 . 1 1 69 69 ASP HA H 69 5.264 5.264 4.813 0.451 25284 2792 1 6 . 1 1 69 69 ASP C C 69 176.970 176.970 174.917 2.053 25284 2793 1 6 . 1 1 69 69 ASP CA C 69 55.811 55.811 55.390 0.421 25284 2794 1 6 . 1 1 69 69 ASP CB C 69 44.441 44.441 42.354 2.087 25284 2795 1 6 . 1 1 69 69 ASP H H 69 9.167 9.167 8.551 0.616 25284 2796 1 6 . 1 1 70 70 THR N N 70 108.311 108.311 110.768 -2.457 25284 2797 1 6 . 1 1 70 70 THR HA H 70 4.939 4.939 4.835 0.104 25284 2798 1 6 . 1 1 70 70 THR CA C 70 57.823 57.823 58.821 -0.998 25284 2799 1 6 . 1 1 70 70 THR CB C 70 71.412 71.412 70.167 1.245 25284 2800 1 6 . 1 1 70 70 THR H H 70 7.477 7.477 7.756 -0.279 25284 2801 1 6 . 1 1 71 71 PRO HA H 71 4.235 4.235 4.218 0.017 25284 2802 1 6 . 1 1 71 71 PRO C C 71 177.422 177.422 177.606 -0.184 25284 2803 1 6 . 1 1 71 71 PRO CA C 71 66.002 66.002 65.815 0.187 25284 2804 1 6 . 1 1 71 71 PRO CB C 71 32.686 32.686 31.300 1.386 25284 2805 1 6 . 1 1 72 72 ARG N N 72 117.972 117.972 116.722 1.250 25284 2806 1 6 . 1 1 72 72 ARG HA H 72 3.609 3.609 3.945 -0.336 25284 2807 1 6 . 1 1 72 72 ARG C C 72 177.616 177.616 178.397 -0.781 25284 2808 1 6 . 1 1 72 72 ARG CA C 72 60.243 60.243 59.166 1.077 25284 2809 1 6 . 1 1 72 72 ARG CB C 72 30.524 30.524 29.223 1.301 25284 2810 1 6 . 1 1 72 72 ARG H H 72 9.016 9.016 7.882 1.134 25284 2811 1 6 . 1 1 73 73 GLU N N 73 116.790 116.790 120.009 -3.219 25284 2812 1 6 . 1 1 73 73 GLU HA H 73 4.242 4.242 4.178 0.064 25284 2813 1 6 . 1 1 73 73 GLU C C 73 180.200 180.200 178.803 1.397 25284 2814 1 6 . 1 1 73 73 GLU CA C 73 59.226 59.226 58.519 0.707 25284 2815 1 6 . 1 1 73 73 GLU CB C 73 30.069 30.069 29.215 0.854 25284 2816 1 6 . 1 1 73 73 GLU H H 73 7.838 7.838 8.093 -0.255 25284 2817 1 6 . 1 1 74 74 LEU N N 74 120.656 120.656 121.903 -1.247 25284 2818 1 6 . 1 1 74 74 LEU HA H 74 4.313 4.313 4.136 0.177 25284 2819 1 6 . 1 1 74 74 LEU C C 74 177.023 177.023 178.482 -1.459 25284 2820 1 6 . 1 1 74 74 LEU CA C 74 58.179 58.179 57.386 0.793 25284 2821 1 6 . 1 1 74 74 LEU CB C 74 42.292 42.292 41.560 0.732 25284 2822 1 6 . 1 1 74 74 LEU H H 74 7.703 7.703 7.399 0.304 25284 2823 1 6 . 1 1 75 75 LEU N N 75 121.434 121.434 119.665 1.769 25284 2824 1 6 . 1 1 75 75 LEU HA H 75 3.894 3.894 3.955 -0.061 25284 2825 1 6 . 1 1 75 75 LEU C C 75 178.169 178.169 177.774 0.395 25284 2826 1 6 . 1 1 75 75 LEU CA C 75 58.562 58.562 58.444 0.118 25284 2827 1 6 . 1 1 75 75 LEU CB C 75 42.408 42.408 41.471 0.937 25284 2828 1 6 . 1 1 75 75 LEU H H 75 8.743 8.743 8.587 0.156 25284 2829 1 6 . 1 1 76 76 ASP N N 76 117.849 117.849 118.795 -0.946 25284 2830 1 6 . 1 1 76 76 ASP HA H 76 4.488 4.488 4.307 0.181 25284 2831 1 6 . 1 1 76 76 ASP C C 76 180.127 180.127 178.415 1.712 25284 2832 1 6 . 1 1 76 76 ASP CA C 76 57.487 57.487 57.592 -0.105 25284 2833 1 6 . 1 1 76 76 ASP CB C 76 40.085 40.085 40.932 -0.847 25284 2834 1 6 . 1 1 76 76 ASP H H 76 8.711 8.711 7.639 1.072 25284 2835 1 6 . 1 1 77 77 LEU N N 77 123.252 123.252 120.661 2.591 25284 2836 1 6 . 1 1 77 77 LEU HA H 77 4.303 4.303 3.907 0.396 25284 2837 1 6 . 1 1 77 77 LEU C C 77 180.621 180.621 179.177 1.444 25284 2838 1 6 . 1 1 77 77 LEU CA C 77 58.439 58.439 58.026 0.413 25284 2839 1 6 . 1 1 77 77 LEU CB C 77 42.905 42.905 41.718 1.187 25284 2840 1 6 . 1 1 77 77 LEU H H 77 8.009 8.009 7.713 0.296 25284 2841 1 6 . 1 1 78 78 ILE N N 78 120.216 120.216 119.772 0.444 25284 2842 1 6 . 1 1 78 78 ILE HA H 78 3.750 3.750 3.570 0.180 25284 2843 1 6 . 1 1 78 78 ILE C C 78 177.713 177.713 178.222 -0.509 25284 2844 1 6 . 1 1 78 78 ILE CA C 78 64.757 64.757 64.461 0.296 25284 2845 1 6 . 1 1 78 78 ILE CB C 78 37.402 37.402 36.493 0.909 25284 2846 1 6 . 1 1 78 78 ILE H H 78 8.294 8.294 7.887 0.407 25284 2847 1 6 . 1 1 79 79 ASN N N 79 118.191 118.191 118.095 0.096 25284 2848 1 6 . 1 1 79 79 ASN HA H 79 4.912 4.912 4.392 0.520 25284 2849 1 6 . 1 1 79 79 ASN C C 79 179.524 179.524 178.241 1.283 25284 2850 1 6 . 1 1 79 79 ASN CA C 79 55.473 55.473 55.822 -0.348 25284 2851 1 6 . 1 1 79 79 ASN CB C 79 37.331 37.331 37.881 -0.550 25284 2852 1 6 . 1 1 79 79 ASN H H 79 8.887 8.887 8.130 0.757 25284 2853 1 6 . 1 1 80 80 GLY N N 80 110.387 110.387 108.578 1.809 25284 2854 1 6 . 1 1 80 80 GLY C C 80 175.783 175.783 175.363 0.420 25284 2855 1 6 . 1 1 80 80 GLY CA C 80 47.166 47.166 46.955 0.211 25284 2856 1 6 . 1 1 80 80 GLY H H 80 8.436 8.436 8.567 -0.131 25284 2857 1 6 . 1 1 81 81 ALA N N 81 124.420 124.420 124.456 -0.036 25284 2858 1 6 . 1 1 81 81 ALA HA H 81 4.460 4.460 4.226 0.234 25284 2859 1 6 . 1 1 81 81 ALA C C 81 179.892 179.892 179.380 0.512 25284 2860 1 6 . 1 1 81 81 ALA CA C 81 54.389 54.389 54.511 -0.123 25284 2861 1 6 . 1 1 81 81 ALA CB C 81 18.824 18.824 18.437 0.387 25284 2862 1 6 . 1 1 81 81 ALA H H 81 7.606 7.606 7.724 -0.118 25284 2863 1 6 . 1 1 82 82 LEU N N 82 120.239 120.239 120.573 -0.334 25284 2864 1 6 . 1 1 82 82 LEU HA H 82 4.214 4.214 4.018 0.196 25284 2865 1 6 . 1 1 82 82 LEU C C 82 178.884 178.884 178.457 0.427 25284 2866 1 6 . 1 1 82 82 LEU CA C 82 57.098 57.098 57.708 -0.610 25284 2867 1 6 . 1 1 82 82 LEU CB C 82 42.739 42.739 41.598 1.141 25284 2868 1 6 . 1 1 82 82 LEU H H 82 8.285 8.285 8.436 -0.151 25284 2869 1 6 . 1 1 83 83 ALA N N 83 121.614 121.614 120.474 1.140 25284 2870 1 6 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.223 0.076 25284 2871 1 6 . 1 1 83 83 ALA C C 83 178.788 178.788 179.197 -0.409 25284 2872 1 6 . 1 1 83 83 ALA CA C 83 54.049 54.049 54.489 -0.440 25284 2873 1 6 . 1 1 83 83 ALA CB C 83 18.944 18.944 18.451 0.493 25284 2874 1 6 . 1 1 83 83 ALA H H 83 7.973 7.973 8.141 -0.168 25284 2875 1 6 . 1 1 84 84 GLU N N 84 117.412 117.412 118.374 -0.962 25284 2876 1 6 . 1 1 84 84 GLU HA H 84 4.385 4.385 4.332 0.053 25284 2877 1 6 . 1 1 84 84 GLU C C 84 176.406 176.406 178.193 -1.787 25284 2878 1 6 . 1 1 84 84 GLU CA C 84 56.872 56.872 57.001 -0.129 25284 2879 1 6 . 1 1 84 84 GLU CB C 84 29.773 29.773 30.062 -0.289 25284 2880 1 6 . 1 1 84 84 GLU H H 84 7.753 7.753 7.787 -0.034 25284 2881 1 6 . 1 1 85 85 ALA N N 85 124.256 124.256 121.131 3.125 25284 2882 1 6 . 1 1 85 85 ALA HA H 85 4.471 4.471 4.297 0.174 25284 2883 1 6 . 1 1 85 85 ALA C C 85 176.625 176.625 177.054 -0.429 25284 2884 1 6 . 1 1 85 85 ALA CA C 85 52.679 52.679 53.109 -0.430 25284 2885 1 6 . 1 1 85 85 ALA CB C 85 19.702 19.702 19.753 -0.051 25284 2886 1 6 . 1 1 85 85 ALA H H 85 7.832 7.832 8.017 -0.185 25284 2887 1 7 . 1 1 2 2 ALA HA H 2 4.279 4.279 4.256 0.023 25284 2888 1 7 . 1 1 2 2 ALA C C 2 173.785 173.785 177.390 -3.605 25284 2889 1 7 . 1 1 2 2 ALA CA C 2 52.136 52.136 52.067 0.069 25284 2890 1 7 . 1 1 2 2 ALA CB C 2 20.083 20.083 18.915 1.168 25284 2891 1 7 . 1 1 3 3 THR N N 3 117.799 117.799 116.139 1.660 25284 2892 1 7 . 1 1 3 3 THR HA H 3 4.398 4.398 4.336 0.062 25284 2893 1 7 . 1 1 3 3 THR C C 3 172.979 172.979 173.657 -0.678 25284 2894 1 7 . 1 1 3 3 THR CA C 3 62.907 62.907 62.508 0.399 25284 2895 1 7 . 1 1 3 3 THR CB C 3 70.082 70.082 67.922 2.160 25284 2896 1 7 . 1 1 3 3 THR H H 3 8.703 8.703 8.449 0.254 25284 2897 1 7 . 1 1 4 4 LEU N N 4 124.656 124.656 125.496 -0.840 25284 2898 1 7 . 1 1 4 4 LEU HA H 4 4.373 4.373 4.446 -0.073 25284 2899 1 7 . 1 1 4 4 LEU C C 4 177.215 177.215 175.789 1.426 25284 2900 1 7 . 1 1 4 4 LEU CA C 4 54.852 54.852 53.913 0.939 25284 2901 1 7 . 1 1 4 4 LEU CB C 4 42.864 42.864 43.724 -0.860 25284 2902 1 7 . 1 1 4 4 LEU H H 4 8.155 8.155 7.684 0.471 25284 2903 1 7 . 1 1 5 5 LEU N N 5 124.772 124.772 125.028 -0.256 25284 2904 1 7 . 1 1 5 5 LEU HA H 5 4.530 4.530 4.287 0.243 25284 2905 1 7 . 1 1 5 5 LEU C C 5 177.915 177.915 176.345 1.570 25284 2906 1 7 . 1 1 5 5 LEU CA C 5 55.564 55.564 54.913 0.651 25284 2907 1 7 . 1 1 5 5 LEU CB C 5 42.806 42.806 41.958 0.848 25284 2908 1 7 . 1 1 5 5 LEU H H 5 9.421 9.421 8.194 1.227 25284 2909 1 7 . 1 1 6 6 THR N N 6 115.077 115.077 116.544 -1.467 25284 2910 1 7 . 1 1 6 6 THR HA H 6 4.745 4.745 4.596 0.149 25284 2911 1 7 . 1 1 6 6 THR C C 6 175.958 175.958 175.344 0.614 25284 2912 1 7 . 1 1 6 6 THR CA C 6 60.159 60.159 60.011 0.148 25284 2913 1 7 . 1 1 6 6 THR CB C 6 72.442 72.442 70.373 2.069 25284 2914 1 7 . 1 1 6 6 THR H H 6 9.006 9.006 7.906 1.100 25284 2915 1 7 . 1 1 7 7 THR N N 7 115.895 115.895 116.426 -0.531 25284 2916 1 7 . 1 1 7 7 THR HA H 7 3.867 3.867 4.088 -0.221 25284 2917 1 7 . 1 1 7 7 THR C C 7 176.622 176.622 176.405 0.217 25284 2918 1 7 . 1 1 7 7 THR CA C 7 67.331 67.331 66.612 0.719 25284 2919 1 7 . 1 1 7 7 THR CB C 7 68.496 68.496 68.228 0.269 25284 2920 1 7 . 1 1 7 7 THR H H 7 8.864 8.864 8.510 0.354 25284 2921 1 7 . 1 1 8 8 ASP N N 8 120.253 120.253 119.396 0.857 25284 2922 1 7 . 1 1 8 8 ASP HA H 8 4.629 4.629 4.405 0.224 25284 2923 1 7 . 1 1 8 8 ASP C C 8 178.593 178.593 178.310 0.283 25284 2924 1 7 . 1 1 8 8 ASP CA C 8 57.740 57.740 57.938 -0.198 25284 2925 1 7 . 1 1 8 8 ASP CB C 8 41.273 41.273 39.810 1.463 25284 2926 1 7 . 1 1 8 8 ASP H H 8 8.289 8.289 8.794 -0.505 25284 2927 1 7 . 1 1 9 9 ASP N N 9 120.653 120.653 120.037 0.616 25284 2928 1 7 . 1 1 9 9 ASP HA H 9 4.560 4.560 4.603 -0.043 25284 2929 1 7 . 1 1 9 9 ASP C C 9 179.465 179.465 178.177 1.288 25284 2930 1 7 . 1 1 9 9 ASP CA C 9 57.608 57.608 56.098 1.510 25284 2931 1 7 . 1 1 9 9 ASP CB C 9 41.559 41.559 41.481 0.078 25284 2932 1 7 . 1 1 9 9 ASP H H 9 7.916 7.916 7.515 0.401 25284 2933 1 7 . 1 1 10 10 LEU N N 10 121.585 121.585 122.234 -0.649 25284 2934 1 7 . 1 1 10 10 LEU HA H 10 4.216 4.216 4.028 0.188 25284 2935 1 7 . 1 1 10 10 LEU C C 10 177.517 177.517 178.092 -0.575 25284 2936 1 7 . 1 1 10 10 LEU CA C 10 58.031 58.031 58.298 -0.267 25284 2937 1 7 . 1 1 10 10 LEU CB C 10 42.146 42.146 41.937 0.209 25284 2938 1 7 . 1 1 10 10 LEU H H 10 8.086 8.086 7.987 0.099 25284 2939 1 7 . 1 1 11 11 ARG N N 11 120.099 120.099 118.835 1.264 25284 2940 1 7 . 1 1 11 11 ARG HA H 11 3.514 3.514 3.859 -0.345 25284 2941 1 7 . 1 1 11 11 ARG C C 11 177.769 177.769 178.122 -0.353 25284 2942 1 7 . 1 1 11 11 ARG CA C 11 60.715 60.715 60.078 0.637 25284 2943 1 7 . 1 1 11 11 ARG CB C 11 30.775 30.775 30.058 0.717 25284 2944 1 7 . 1 1 11 11 ARG H H 11 8.852 8.852 8.482 0.370 25284 2945 1 7 . 1 1 12 12 ARG N N 12 115.840 115.840 118.881 -3.041 25284 2946 1 7 . 1 1 12 12 ARG HA H 12 4.032 4.032 3.970 0.062 25284 2947 1 7 . 1 1 12 12 ARG C C 12 178.492 178.492 178.607 -0.115 25284 2948 1 7 . 1 1 12 12 ARG CA C 12 59.592 59.592 59.647 -0.055 25284 2949 1 7 . 1 1 12 12 ARG CB C 12 30.583 30.583 29.898 0.685 25284 2950 1 7 . 1 1 12 12 ARG H H 12 7.996 7.996 7.517 0.479 25284 2951 1 7 . 1 1 13 13 ALA N N 13 120.184 120.184 121.912 -1.728 25284 2952 1 7 . 1 1 13 13 ALA HA H 13 4.401 4.401 4.119 0.282 25284 2953 1 7 . 1 1 13 13 ALA C C 13 180.114 180.114 179.681 0.433 25284 2954 1 7 . 1 1 13 13 ALA CA C 13 54.938 54.938 55.093 -0.155 25284 2955 1 7 . 1 1 13 13 ALA CB C 13 18.756 18.756 18.637 0.119 25284 2956 1 7 . 1 1 13 13 ALA H H 13 7.705 7.705 7.709 -0.004 25284 2957 1 7 . 1 1 14 14 LEU N N 14 119.427 119.427 121.095 -1.668 25284 2958 1 7 . 1 1 14 14 LEU HA H 14 4.424 4.424 4.261 0.163 25284 2959 1 7 . 1 1 14 14 LEU C C 14 179.766 179.766 179.583 0.183 25284 2960 1 7 . 1 1 14 14 LEU CA C 14 57.568 57.568 57.896 -0.328 25284 2961 1 7 . 1 1 14 14 LEU CB C 14 42.039 42.039 42.073 -0.034 25284 2962 1 7 . 1 1 14 14 LEU H H 14 8.424 8.424 8.436 -0.012 25284 2963 1 7 . 1 1 15 15 VAL N N 15 121.004 121.004 120.758 0.246 25284 2964 1 7 . 1 1 15 15 VAL HA H 15 3.920 3.920 3.581 0.339 25284 2965 1 7 . 1 1 15 15 VAL C C 15 179.014 179.014 178.731 0.283 25284 2966 1 7 . 1 1 15 15 VAL CA C 15 66.259 66.259 66.823 -0.564 25284 2967 1 7 . 1 1 15 15 VAL CB C 15 32.137 32.137 31.550 0.587 25284 2968 1 7 . 1 1 15 15 VAL H H 15 8.519 8.519 8.656 -0.137 25284 2969 1 7 . 1 1 16 16 GLU N N 16 119.984 119.984 120.078 -0.094 25284 2970 1 7 . 1 1 16 16 GLU HA H 16 4.206 4.206 3.984 0.222 25284 2971 1 7 . 1 1 16 16 GLU C C 16 178.547 178.547 179.094 -0.547 25284 2972 1 7 . 1 1 16 16 GLU CA C 16 59.042 59.042 59.206 -0.164 25284 2973 1 7 . 1 1 16 16 GLU CB C 16 29.692 29.692 29.038 0.653 25284 2974 1 7 . 1 1 16 16 GLU H H 16 8.218 8.218 8.271 -0.053 25284 2975 1 7 . 1 1 17 17 SER N N 17 113.928 113.928 114.643 -0.715 25284 2976 1 7 . 1 1 17 17 SER HA H 17 4.577 4.577 4.309 0.268 25284 2977 1 7 . 1 1 17 17 SER C C 17 174.273 174.273 174.468 -0.195 25284 2978 1 7 . 1 1 17 17 SER CA C 17 59.940 59.940 60.354 -0.414 25284 2979 1 7 . 1 1 17 17 SER CB C 17 64.378 64.378 62.896 1.482 25284 2980 1 7 . 1 1 17 17 SER H H 17 7.798 7.798 7.928 -0.130 25284 2981 1 7 . 1 1 18 18 ALA N N 18 123.357 123.357 121.683 1.674 25284 2982 1 7 . 1 1 18 18 ALA HA H 18 4.347 4.347 3.766 0.581 25284 2983 1 7 . 1 1 18 18 ALA C C 18 178.292 178.292 177.645 0.647 25284 2984 1 7 . 1 1 18 18 ALA CA C 18 52.991 52.991 52.157 0.834 25284 2985 1 7 . 1 1 18 18 ALA CB C 18 19.965 19.965 18.899 1.066 25284 2986 1 7 . 1 1 18 18 ALA H H 18 7.813 7.813 7.610 0.203 25284 2987 1 7 . 1 1 19 19 GLY N N 19 107.711 107.711 108.483 -0.772 25284 2988 1 7 . 1 1 19 19 GLY C C 19 174.440 174.440 174.549 -0.109 25284 2989 1 7 . 1 1 19 19 GLY CA C 19 45.650 45.650 46.302 -0.652 25284 2990 1 7 . 1 1 19 19 GLY H H 19 8.256 8.256 7.694 0.562 25284 2991 1 7 . 1 1 20 20 GLU N N 20 120.763 120.763 122.991 -2.228 25284 2992 1 7 . 1 1 20 20 GLU HA H 20 4.477 4.477 4.639 -0.162 25284 2993 1 7 . 1 1 20 20 GLU C C 20 176.905 176.905 176.296 0.609 25284 2994 1 7 . 1 1 20 20 GLU CA C 20 56.896 56.896 55.844 1.052 25284 2995 1 7 . 1 1 20 20 GLU CB C 20 30.160 30.160 29.674 0.486 25284 2996 1 7 . 1 1 20 20 GLU H H 20 8.508 8.508 8.704 -0.196 25284 2997 1 7 . 1 1 21 21 THR N N 21 114.316 114.316 115.510 -1.194 25284 2998 1 7 . 1 1 21 21 THR HA H 21 4.529 4.529 4.435 0.094 25284 2999 1 7 . 1 1 21 21 THR C C 21 174.564 174.564 173.583 0.981 25284 3000 1 7 . 1 1 21 21 THR CA C 21 61.942 61.942 61.176 0.766 25284 3001 1 7 . 1 1 21 21 THR CB C 21 70.323 70.323 70.275 0.048 25284 3002 1 7 . 1 1 21 21 THR H H 21 8.258 8.258 7.519 0.739 25284 3003 1 7 . 1 1 22 22 ASP N N 22 122.479 122.479 120.840 1.639 25284 3004 1 7 . 1 1 22 22 ASP HA H 22 4.728 4.728 4.567 0.161 25284 3005 1 7 . 1 1 22 22 ASP C C 22 176.913 176.913 175.289 1.624 25284 3006 1 7 . 1 1 22 22 ASP CA C 22 54.806 54.806 54.767 0.039 25284 3007 1 7 . 1 1 22 22 ASP CB C 22 41.144 41.144 41.071 0.073 25284 3008 1 7 . 1 1 22 22 ASP H H 22 8.506 8.506 8.461 0.045 25284 3009 1 7 . 1 1 23 23 GLY N N 23 109.608 109.608 112.492 -2.884 25284 3010 1 7 . 1 1 23 23 GLY C C 23 174.806 174.806 173.983 0.823 25284 3011 1 7 . 1 1 23 23 GLY CA C 23 45.969 45.969 44.543 1.426 25284 3012 1 7 . 1 1 23 23 GLY H H 23 8.503 8.503 8.078 0.425 25284 3013 1 7 . 1 1 24 24 THR N N 24 116.205 116.205 117.654 -1.449 25284 3014 1 7 . 1 1 24 24 THR HA H 24 4.333 4.333 4.285 0.048 25284 3015 1 7 . 1 1 24 24 THR C C 24 174.247 174.247 174.542 -0.295 25284 3016 1 7 . 1 1 24 24 THR CA C 24 63.240 63.240 61.734 1.506 25284 3017 1 7 . 1 1 24 24 THR CB C 24 70.056 70.056 70.642 -0.587 25284 3018 1 7 . 1 1 24 24 THR H H 24 8.152 8.152 7.690 0.462 25284 3019 1 7 . 1 1 25 25 ASP N N 25 124.096 124.096 120.960 3.136 25284 3020 1 7 . 1 1 25 25 ASP HA H 25 4.718 4.718 4.494 0.224 25284 3021 1 7 . 1 1 25 25 ASP C C 25 176.223 176.223 176.284 -0.061 25284 3022 1 7 . 1 1 25 25 ASP CA C 25 54.536 54.536 55.025 -0.489 25284 3023 1 7 . 1 1 25 25 ASP CB C 25 41.163 41.163 40.330 0.833 25284 3024 1 7 . 1 1 25 25 ASP H H 25 8.620 8.620 8.659 -0.039 25284 3025 1 7 . 1 1 26 26 LEU N N 26 123.934 123.934 125.866 -1.932 25284 3026 1 7 . 1 1 26 26 LEU HA H 26 4.365 4.365 4.315 0.050 25284 3027 1 7 . 1 1 26 26 LEU C C 26 176.356 176.356 176.402 -0.046 25284 3028 1 7 . 1 1 26 26 LEU CA C 26 54.374 54.374 54.384 -0.010 25284 3029 1 7 . 1 1 26 26 LEU CB C 26 41.235 41.235 41.636 -0.401 25284 3030 1 7 . 1 1 26 26 LEU H H 26 8.482 8.482 7.876 0.606 25284 3031 1 7 . 1 1 27 27 SER N N 27 115.330 115.330 117.118 -1.788 25284 3032 1 7 . 1 1 27 27 SER HA H 27 4.300 4.300 4.649 -0.349 25284 3033 1 7 . 1 1 27 27 SER C C 27 175.077 175.077 173.996 1.081 25284 3034 1 7 . 1 1 27 27 SER CA C 27 59.917 59.917 57.878 2.039 25284 3035 1 7 . 1 1 27 27 SER CB C 27 64.229 64.229 62.049 2.180 25284 3036 1 7 . 1 1 27 27 SER H H 27 8.214 8.214 8.132 0.082 25284 3037 1 7 . 1 1 28 28 GLY N N 28 111.630 111.630 111.714 -0.084 25284 3038 1 7 . 1 1 28 28 GLY C C 28 174.303 174.303 171.937 2.366 25284 3039 1 7 . 1 1 28 28 GLY CA C 28 45.500 45.500 45.287 0.213 25284 3040 1 7 . 1 1 28 28 GLY H H 28 8.592 8.592 7.719 0.873 25284 3041 1 7 . 1 1 29 29 ASP N N 29 123.552 123.552 121.393 2.159 25284 3042 1 7 . 1 1 29 29 ASP HA H 29 4.851 4.851 4.684 0.167 25284 3043 1 7 . 1 1 29 29 ASP C C 29 176.494 176.494 176.085 0.409 25284 3044 1 7 . 1 1 29 29 ASP CA C 29 54.312 54.312 53.326 0.986 25284 3045 1 7 . 1 1 29 29 ASP CB C 29 39.771 39.771 40.083 -0.312 25284 3046 1 7 . 1 1 29 29 ASP H H 29 8.690 8.690 8.522 0.168 25284 3047 1 7 . 1 1 30 30 PHE N N 30 122.578 122.578 122.315 0.263 25284 3048 1 7 . 1 1 30 30 PHE HA H 30 4.764 4.764 4.431 0.333 25284 3049 1 7 . 1 1 30 30 PHE C C 30 175.529 175.529 175.727 -0.198 25284 3050 1 7 . 1 1 30 30 PHE CA C 30 57.493 57.493 56.904 0.589 25284 3051 1 7 . 1 1 30 30 PHE CB C 30 40.639 40.639 38.334 2.305 25284 3052 1 7 . 1 1 30 30 PHE H H 30 8.076 8.076 7.877 0.199 25284 3053 1 7 . 1 1 31 31 LEU N N 31 119.188 119.188 122.994 -3.806 25284 3054 1 7 . 1 1 31 31 LEU HA H 31 3.302 3.302 3.760 -0.458 25284 3055 1 7 . 1 1 31 31 LEU C C 31 176.503 176.503 176.202 0.301 25284 3056 1 7 . 1 1 31 31 LEU CA C 31 57.940 57.940 57.119 0.821 25284 3057 1 7 . 1 1 31 31 LEU CB C 31 42.218 42.218 41.666 0.552 25284 3058 1 7 . 1 1 31 31 LEU H H 31 7.535 7.535 7.534 0.001 25284 3059 1 7 . 1 1 32 32 ASP N N 32 112.101 112.101 115.113 -3.012 25284 3060 1 7 . 1 1 32 32 ASP HA H 32 5.047 5.047 4.531 0.516 25284 3061 1 7 . 1 1 32 32 ASP C C 32 176.064 176.064 176.187 -0.123 25284 3062 1 7 . 1 1 32 32 ASP CA C 32 53.755 53.755 53.603 0.152 25284 3063 1 7 . 1 1 32 32 ASP CB C 32 41.824 41.824 40.945 0.879 25284 3064 1 7 . 1 1 32 32 ASP H H 32 8.087 8.087 8.006 0.081 25284 3065 1 7 . 1 1 33 33 LEU N N 33 122.380 122.380 122.062 0.318 25284 3066 1 7 . 1 1 33 33 LEU HA H 33 4.309 4.309 4.332 -0.023 25284 3067 1 7 . 1 1 33 33 LEU C C 33 174.879 174.879 175.697 -0.818 25284 3068 1 7 . 1 1 33 33 LEU CA C 33 54.566 54.566 55.066 -0.500 25284 3069 1 7 . 1 1 33 33 LEU CB C 33 42.528 42.528 43.766 -1.238 25284 3070 1 7 . 1 1 33 33 LEU H H 33 7.222 7.222 7.346 -0.124 25284 3071 1 7 . 1 1 34 34 ARG N N 34 116.439 116.439 120.043 -3.604 25284 3072 1 7 . 1 1 34 34 ARG HA H 34 4.725 4.725 4.662 0.063 25284 3073 1 7 . 1 1 34 34 ARG C C 34 179.778 179.778 177.993 1.785 25284 3074 1 7 . 1 1 34 34 ARG CA C 34 55.536 55.536 55.019 0.517 25284 3075 1 7 . 1 1 34 34 ARG CB C 34 30.173 30.173 31.287 -1.113 25284 3076 1 7 . 1 1 34 34 ARG H H 34 8.487 8.487 7.874 0.613 25284 3077 1 7 . 1 1 35 35 PHE N N 35 123.548 123.548 121.381 2.167 25284 3078 1 7 . 1 1 35 35 PHE HA H 35 4.385 4.385 4.091 0.294 25284 3079 1 7 . 1 1 35 35 PHE C C 35 178.776 178.776 177.588 1.188 25284 3080 1 7 . 1 1 35 35 PHE CA C 35 63.121 63.121 62.523 0.598 25284 3081 1 7 . 1 1 35 35 PHE CB C 35 37.967 37.967 38.630 -0.663 25284 3082 1 7 . 1 1 35 35 PHE H H 35 8.455 8.455 8.497 -0.042 25284 3083 1 7 . 1 1 36 36 GLU N N 36 117.380 117.380 117.562 -0.182 25284 3084 1 7 . 1 1 36 36 GLU HA H 36 4.358 4.358 4.067 0.291 25284 3085 1 7 . 1 1 36 36 GLU C C 36 178.612 178.612 178.064 0.548 25284 3086 1 7 . 1 1 36 36 GLU CA C 36 59.145 59.145 59.501 -0.356 25284 3087 1 7 . 1 1 36 36 GLU CB C 36 29.301 29.301 28.875 0.426 25284 3088 1 7 . 1 1 36 36 GLU H H 36 9.560 9.560 8.793 0.767 25284 3089 1 7 . 1 1 37 37 ASP N N 37 118.596 118.596 118.384 0.212 25284 3090 1 7 . 1 1 37 37 ASP HA H 37 4.810 4.810 4.539 0.271 25284 3091 1 7 . 1 1 37 37 ASP C C 37 177.993 177.993 178.216 -0.223 25284 3092 1 7 . 1 1 37 37 ASP CA C 37 56.474 56.474 56.102 0.372 25284 3093 1 7 . 1 1 37 37 ASP CB C 37 41.411 41.411 41.218 0.193 25284 3094 1 7 . 1 1 37 37 ASP H H 37 7.546 7.546 7.579 -0.033 25284 3095 1 7 . 1 1 38 38 ILE N N 38 113.080 113.080 112.428 0.652 25284 3096 1 7 . 1 1 38 38 ILE HA H 38 4.663 4.663 4.221 0.442 25284 3097 1 7 . 1 1 38 38 ILE C C 38 176.140 176.140 176.975 -0.835 25284 3098 1 7 . 1 1 38 38 ILE CA C 38 62.038 62.038 61.954 0.084 25284 3099 1 7 . 1 1 38 38 ILE CB C 38 38.755 38.755 37.767 0.988 25284 3100 1 7 . 1 1 38 38 ILE H H 38 7.725 7.725 7.657 0.068 25284 3101 1 7 . 1 1 39 39 GLY N N 39 107.376 107.376 108.304 -0.928 25284 3102 1 7 . 1 1 39 39 GLY C C 39 174.497 174.497 174.479 0.018 25284 3103 1 7 . 1 1 39 39 GLY CA C 39 46.580 46.580 45.795 0.785 25284 3104 1 7 . 1 1 39 39 GLY H H 39 7.736 7.736 7.771 -0.035 25284 3105 1 7 . 1 1 40 40 TYR N N 40 121.883 121.883 120.061 1.822 25284 3106 1 7 . 1 1 40 40 TYR HA H 40 4.583 4.583 4.562 0.021 25284 3107 1 7 . 1 1 40 40 TYR C C 40 174.479 174.479 175.678 -1.199 25284 3108 1 7 . 1 1 40 40 TYR CA C 40 58.153 58.153 58.138 0.015 25284 3109 1 7 . 1 1 40 40 TYR CB C 40 40.535 40.535 39.501 1.034 25284 3110 1 7 . 1 1 40 40 TYR H H 40 8.059 8.059 7.971 0.088 25284 3111 1 7 . 1 1 41 41 ASP N N 41 124.021 124.021 121.355 2.666 25284 3112 1 7 . 1 1 41 41 ASP HA H 41 4.739 4.739 4.845 -0.106 25284 3113 1 7 . 1 1 41 41 ASP C C 41 175.831 175.831 177.131 -1.300 25284 3114 1 7 . 1 1 41 41 ASP CA C 41 52.669 52.669 53.874 -1.205 25284 3115 1 7 . 1 1 41 41 ASP CB C 41 42.015 42.015 43.084 -1.069 25284 3116 1 7 . 1 1 41 41 ASP H H 41 7.992 7.992 8.203 -0.211 25284 3117 1 7 . 1 1 42 42 SER N N 42 114.198 114.198 115.980 -1.782 25284 3118 1 7 . 1 1 42 42 SER HA H 42 4.272 4.272 4.192 0.080 25284 3119 1 7 . 1 1 42 42 SER C C 42 176.102 176.102 176.763 -0.661 25284 3120 1 7 . 1 1 42 42 SER CA C 42 60.657 60.657 61.033 -0.376 25284 3121 1 7 . 1 1 42 42 SER CB C 42 66.110 66.110 62.802 3.308 25284 3122 1 7 . 1 1 43 43 LEU N N 43 124.254 124.254 122.026 2.228 25284 3123 1 7 . 1 1 43 43 LEU HA H 43 4.269 4.269 4.018 0.251 25284 3124 1 7 . 1 1 43 43 LEU C C 43 179.140 179.140 178.871 0.269 25284 3125 1 7 . 1 1 43 43 LEU CA C 43 58.567 58.567 57.598 0.969 25284 3126 1 7 . 1 1 43 43 LEU CB C 43 41.178 41.178 41.080 0.098 25284 3127 1 7 . 1 1 43 43 LEU H H 43 7.792 7.792 8.321 -0.529 25284 3128 1 7 . 1 1 44 44 ALA N N 44 123.473 123.473 119.892 3.581 25284 3129 1 7 . 1 1 44 44 ALA HA H 44 4.318 4.318 4.241 0.077 25284 3130 1 7 . 1 1 44 44 ALA C C 44 181.903 181.903 179.729 2.174 25284 3131 1 7 . 1 1 44 44 ALA CA C 44 55.068 55.068 54.618 0.450 25284 3132 1 7 . 1 1 44 44 ALA CB C 44 18.556 18.556 18.203 0.353 25284 3133 1 7 . 1 1 44 44 ALA H H 44 8.140 8.140 8.127 0.013 25284 3134 1 7 . 1 1 45 45 LEU N N 45 121.524 121.524 120.007 1.517 25284 3135 1 7 . 1 1 45 45 LEU HA H 45 3.898 3.898 4.357 -0.459 25284 3136 1 7 . 1 1 45 45 LEU C C 45 179.040 179.040 178.447 0.593 25284 3137 1 7 . 1 1 45 45 LEU CA C 45 58.475 58.475 56.484 1.991 25284 3138 1 7 . 1 1 45 45 LEU CB C 45 41.780 41.780 41.396 0.384 25284 3139 1 7 . 1 1 45 45 LEU H H 45 8.442 8.442 7.498 0.944 25284 3140 1 7 . 1 1 46 46 MET N N 46 119.769 119.769 119.907 -0.138 25284 3141 1 7 . 1 1 46 46 MET HA H 46 4.265 4.265 3.905 0.360 25284 3142 1 7 . 1 1 46 46 MET C C 46 180.609 180.609 178.614 1.995 25284 3143 1 7 . 1 1 46 46 MET CA C 46 58.853 58.853 60.148 -1.295 25284 3144 1 7 . 1 1 46 46 MET CB C 46 32.119 32.119 31.932 0.187 25284 3145 1 7 . 1 1 46 46 MET H H 46 8.234 8.234 8.087 0.147 25284 3146 1 7 . 1 1 47 47 GLU N N 47 121.097 121.097 119.680 1.417 25284 3147 1 7 . 1 1 47 47 GLU HA H 47 4.228 4.228 3.943 0.285 25284 3148 1 7 . 1 1 47 47 GLU C C 47 179.333 179.333 179.186 0.147 25284 3149 1 7 . 1 1 47 47 GLU CA C 47 59.644 59.644 59.662 -0.018 25284 3150 1 7 . 1 1 47 47 GLU CB C 47 28.977 28.977 29.440 -0.463 25284 3151 1 7 . 1 1 47 47 GLU H H 47 8.517 8.517 8.749 -0.232 25284 3152 1 7 . 1 1 48 48 THR N N 48 118.834 118.834 116.901 1.933 25284 3153 1 7 . 1 1 48 48 THR HA H 48 3.961 3.961 4.012 -0.051 25284 3154 1 7 . 1 1 48 48 THR C C 48 176.348 176.348 176.544 -0.196 25284 3155 1 7 . 1 1 48 48 THR CA C 48 67.842 67.842 66.455 1.387 25284 3156 1 7 . 1 1 48 48 THR CB C 48 68.056 68.056 69.017 -0.961 25284 3157 1 7 . 1 1 48 48 THR H H 48 8.325 8.325 7.995 0.330 25284 3158 1 7 . 1 1 49 49 ALA N N 49 123.924 123.924 122.951 0.973 25284 3159 1 7 . 1 1 49 49 ALA HA H 49 3.926 3.926 4.096 -0.170 25284 3160 1 7 . 1 1 49 49 ALA C C 49 178.608 178.608 179.388 -0.780 25284 3161 1 7 . 1 1 49 49 ALA CA C 49 56.247 56.247 55.090 1.157 25284 3162 1 7 . 1 1 49 49 ALA CB C 49 17.569 17.569 18.188 -0.619 25284 3163 1 7 . 1 1 49 49 ALA H H 49 8.747 8.747 8.173 0.574 25284 3164 1 7 . 1 1 50 50 ALA N N 50 119.691 119.691 121.357 -1.666 25284 3165 1 7 . 1 1 50 50 ALA HA H 50 4.269 4.269 4.359 -0.090 25284 3166 1 7 . 1 1 50 50 ALA C C 50 181.310 181.310 179.338 1.972 25284 3167 1 7 . 1 1 50 50 ALA CA C 50 55.422 55.422 54.618 0.804 25284 3168 1 7 . 1 1 50 50 ALA CB C 50 18.171 18.171 18.341 -0.171 25284 3169 1 7 . 1 1 50 50 ALA H H 50 8.245 8.245 8.549 -0.304 25284 3170 1 7 . 1 1 51 51 ARG N N 51 119.913 119.913 118.014 1.899 25284 3171 1 7 . 1 1 51 51 ARG HA H 51 4.247 4.247 4.182 0.065 25284 3172 1 7 . 1 1 51 51 ARG C C 51 179.808 179.808 178.205 1.603 25284 3173 1 7 . 1 1 51 51 ARG CA C 51 59.673 59.673 58.297 1.376 25284 3174 1 7 . 1 1 51 51 ARG CB C 51 30.539 30.539 30.048 0.491 25284 3175 1 7 . 1 1 51 51 ARG H H 51 8.129 8.129 8.151 -0.022 25284 3176 1 7 . 1 1 52 52 LEU N N 52 120.624 120.624 119.417 1.207 25284 3177 1 7 . 1 1 52 52 LEU HA H 52 4.319 4.319 4.374 -0.055 25284 3178 1 7 . 1 1 52 52 LEU C C 52 179.192 179.192 178.571 0.621 25284 3179 1 7 . 1 1 52 52 LEU CA C 52 58.253 58.253 57.378 0.875 25284 3180 1 7 . 1 1 52 52 LEU CB C 52 42.812 42.812 42.219 0.593 25284 3181 1 7 . 1 1 52 52 LEU H H 52 8.423 8.423 7.487 0.936 25284 3182 1 7 . 1 1 53 53 GLU N N 53 119.779 119.779 120.318 -0.539 25284 3183 1 7 . 1 1 53 53 GLU HA H 53 4.108 4.108 3.934 0.174 25284 3184 1 7 . 1 1 53 53 GLU C C 53 179.388 179.388 179.259 0.129 25284 3185 1 7 . 1 1 53 53 GLU CA C 53 60.211 60.211 60.108 0.103 25284 3186 1 7 . 1 1 53 53 GLU CB C 53 29.143 29.143 29.428 -0.285 25284 3187 1 7 . 1 1 53 53 GLU H H 53 8.974 8.974 8.664 0.310 25284 3188 1 7 . 1 1 54 54 SER N N 54 113.169 113.169 113.168 0.001 25284 3189 1 7 . 1 1 54 54 SER HA H 54 4.384 4.384 4.261 0.123 25284 3190 1 7 . 1 1 54 54 SER C C 54 176.953 176.953 175.945 1.008 25284 3191 1 7 . 1 1 54 54 SER CA C 54 61.279 61.279 61.247 0.032 25284 3192 1 7 . 1 1 54 54 SER CB C 54 63.402 63.402 63.231 0.171 25284 3193 1 7 . 1 1 54 54 SER H H 54 8.037 8.037 8.270 -0.233 25284 3194 1 7 . 1 1 55 55 ARG N N 55 120.851 120.851 119.337 1.514 25284 3195 1 7 . 1 1 55 55 ARG HA H 55 4.100 4.100 4.127 -0.027 25284 3196 1 7 . 1 1 55 55 ARG C C 55 177.905 177.905 177.432 0.473 25284 3197 1 7 . 1 1 55 55 ARG CA C 55 58.949 58.949 58.019 0.930 25284 3198 1 7 . 1 1 55 55 ARG CB C 55 30.896 30.896 30.698 0.198 25284 3199 1 7 . 1 1 55 55 ARG H H 55 8.099 8.099 7.773 0.326 25284 3200 1 7 . 1 1 56 56 TYR N N 56 113.669 113.669 115.671 -2.002 25284 3201 1 7 . 1 1 56 56 TYR HA H 56 4.687 4.687 4.671 0.016 25284 3202 1 7 . 1 1 56 56 TYR C C 56 176.069 176.069 175.862 0.207 25284 3203 1 7 . 1 1 56 56 TYR CA C 56 59.055 59.055 58.685 0.370 25284 3204 1 7 . 1 1 56 56 TYR CB C 56 39.465 39.465 39.931 -0.466 25284 3205 1 7 . 1 1 56 56 TYR H H 56 8.158 8.158 7.936 0.222 25284 3206 1 7 . 1 1 57 57 GLY N N 57 109.856 109.856 109.609 0.247 25284 3207 1 7 . 1 1 57 57 GLY C C 57 174.642 174.642 173.513 1.129 25284 3208 1 7 . 1 1 57 57 GLY CA C 57 47.476 47.476 44.942 2.534 25284 3209 1 7 . 1 1 57 57 GLY H H 57 7.982 7.982 8.355 -0.373 25284 3210 1 7 . 1 1 58 58 VAL N N 58 112.572 112.572 114.733 -2.161 25284 3211 1 7 . 1 1 58 58 VAL HA H 58 4.676 4.676 4.668 0.008 25284 3212 1 7 . 1 1 58 58 VAL C C 58 174.069 174.069 174.155 -0.086 25284 3213 1 7 . 1 1 58 58 VAL CA C 58 59.313 59.313 59.247 0.066 25284 3214 1 7 . 1 1 58 58 VAL CB C 58 34.744 34.744 34.160 0.584 25284 3215 1 7 . 1 1 58 58 VAL H H 58 7.497 7.497 7.657 -0.161 25284 3216 1 7 . 1 1 59 59 SER N N 59 117.179 117.179 114.701 2.478 25284 3217 1 7 . 1 1 59 59 SER HA H 59 4.846 4.846 4.987 -0.141 25284 3218 1 7 . 1 1 59 59 SER C C 59 173.699 173.699 173.198 0.501 25284 3219 1 7 . 1 1 59 59 SER CA C 59 57.401 57.401 58.075 -0.673 25284 3220 1 7 . 1 1 59 59 SER CB C 59 64.502 64.502 65.131 -0.629 25284 3221 1 7 . 1 1 59 59 SER H H 59 8.489 8.489 8.132 0.357 25284 3222 1 7 . 1 1 60 60 ILE N N 60 125.858 125.858 126.046 -0.188 25284 3223 1 7 . 1 1 60 60 ILE HA H 60 4.651 4.651 4.582 0.069 25284 3224 1 7 . 1 1 60 60 ILE CA C 60 57.694 57.694 58.230 -0.536 25284 3225 1 7 . 1 1 60 60 ILE CB C 60 40.500 40.500 40.158 0.342 25284 3226 1 7 . 1 1 60 60 ILE H H 60 8.222 8.222 9.301 -1.079 25284 3227 1 7 . 1 1 61 61 PRO HA H 61 4.530 4.530 4.464 0.066 25284 3228 1 7 . 1 1 61 61 PRO C C 61 177.512 177.512 176.556 0.956 25284 3229 1 7 . 1 1 61 61 PRO CA C 61 63.561 63.561 62.648 0.913 25284 3230 1 7 . 1 1 61 61 PRO CB C 61 32.770 32.770 32.365 0.404 25284 3231 1 7 . 1 1 62 62 ASP N N 62 123.459 123.459 123.481 -0.022 25284 3232 1 7 . 1 1 62 62 ASP HA H 62 4.449 4.449 4.178 0.271 25284 3233 1 7 . 1 1 62 62 ASP C C 62 177.284 177.284 178.237 -0.953 25284 3234 1 7 . 1 1 62 62 ASP CA C 62 57.112 57.112 57.657 -0.545 25284 3235 1 7 . 1 1 62 62 ASP CB C 62 40.740 40.740 40.668 0.072 25284 3236 1 7 . 1 1 62 62 ASP H H 62 8.831 8.831 8.719 0.112 25284 3237 1 7 . 1 1 63 63 ASP N N 63 116.794 116.794 119.008 -2.214 25284 3238 1 7 . 1 1 63 63 ASP HA H 63 4.529 4.529 4.401 0.128 25284 3239 1 7 . 1 1 63 63 ASP C C 63 177.294 177.294 178.293 -0.999 25284 3240 1 7 . 1 1 63 63 ASP CA C 63 54.956 54.956 56.760 -1.804 25284 3241 1 7 . 1 1 63 63 ASP CB C 63 39.687 39.687 40.679 -0.992 25284 3242 1 7 . 1 1 63 63 ASP H H 63 8.617 8.617 8.640 -0.023 25284 3243 1 7 . 1 1 64 64 VAL N N 64 119.209 119.209 119.919 -0.710 25284 3244 1 7 . 1 1 64 64 VAL HA H 64 3.812 3.812 3.807 0.005 25284 3245 1 7 . 1 1 64 64 VAL C C 64 177.556 177.556 177.797 -0.241 25284 3246 1 7 . 1 1 64 64 VAL CA C 64 65.179 65.179 65.022 0.157 25284 3247 1 7 . 1 1 64 64 VAL CB C 64 32.413 32.413 31.523 0.890 25284 3248 1 7 . 1 1 64 64 VAL H H 64 7.407 7.407 7.677 -0.270 25284 3249 1 7 . 1 1 65 65 ALA N N 65 122.418 122.418 123.435 -1.017 25284 3250 1 7 . 1 1 65 65 ALA HA H 65 3.987 3.987 4.111 -0.124 25284 3251 1 7 . 1 1 65 65 ALA C C 65 177.994 177.994 178.536 -0.542 25284 3252 1 7 . 1 1 65 65 ALA CA C 65 54.842 54.842 54.626 0.216 25284 3253 1 7 . 1 1 65 65 ALA CB C 65 18.522 18.522 18.413 0.109 25284 3254 1 7 . 1 1 65 65 ALA H H 65 8.246 8.246 7.526 0.720 25284 3255 1 7 . 1 1 66 66 GLY N N 66 100.378 100.378 103.535 -3.157 25284 3256 1 7 . 1 1 66 66 GLY C C 66 174.387 174.387 175.210 -0.823 25284 3257 1 7 . 1 1 66 66 GLY CA C 66 46.015 46.015 44.538 1.478 25284 3258 1 7 . 1 1 66 66 GLY H H 66 8.021 8.021 7.610 0.411 25284 3259 1 7 . 1 1 67 67 ARG N N 67 116.838 116.838 119.596 -2.758 25284 3260 1 7 . 1 1 67 67 ARG HA H 67 4.623 4.623 4.554 0.069 25284 3261 1 7 . 1 1 67 67 ARG C C 67 176.509 176.509 176.356 0.153 25284 3262 1 7 . 1 1 67 67 ARG CA C 67 55.883 55.883 54.952 0.931 25284 3263 1 7 . 1 1 67 67 ARG CB C 67 31.911 31.911 30.416 1.495 25284 3264 1 7 . 1 1 67 67 ARG H H 67 7.483 7.483 7.647 -0.164 25284 3265 1 7 . 1 1 68 68 VAL N N 68 114.649 114.649 115.578 -0.929 25284 3266 1 7 . 1 1 68 68 VAL HA H 68 4.468 4.468 4.198 0.270 25284 3267 1 7 . 1 1 68 68 VAL C C 68 175.192 175.192 175.022 0.170 25284 3268 1 7 . 1 1 68 68 VAL CA C 68 61.819 61.819 60.665 1.154 25284 3269 1 7 . 1 1 68 68 VAL CB C 68 33.624 33.624 33.167 0.457 25284 3270 1 7 . 1 1 68 68 VAL H H 68 7.284 7.284 7.198 0.086 25284 3271 1 7 . 1 1 69 69 ASP N N 69 120.972 120.972 120.531 0.441 25284 3272 1 7 . 1 1 69 69 ASP HA H 69 5.264 5.264 5.005 0.259 25284 3273 1 7 . 1 1 69 69 ASP C C 69 176.970 176.970 175.762 1.208 25284 3274 1 7 . 1 1 69 69 ASP CA C 69 55.811 55.811 55.333 0.478 25284 3275 1 7 . 1 1 69 69 ASP CB C 69 44.441 44.441 43.912 0.529 25284 3276 1 7 . 1 1 69 69 ASP H H 69 9.167 9.167 9.457 -0.290 25284 3277 1 7 . 1 1 70 70 THR N N 70 108.311 108.311 111.378 -3.067 25284 3278 1 7 . 1 1 70 70 THR HA H 70 4.939 4.939 5.182 -0.243 25284 3279 1 7 . 1 1 70 70 THR CA C 70 57.823 57.823 58.576 -0.753 25284 3280 1 7 . 1 1 70 70 THR CB C 70 71.412 71.412 70.569 0.843 25284 3281 1 7 . 1 1 70 70 THR H H 70 7.477 7.477 8.802 -1.325 25284 3282 1 7 . 1 1 71 71 PRO HA H 71 4.235 4.235 4.338 -0.103 25284 3283 1 7 . 1 1 71 71 PRO C C 71 177.422 177.422 177.796 -0.374 25284 3284 1 7 . 1 1 71 71 PRO CA C 71 66.002 66.002 65.487 0.515 25284 3285 1 7 . 1 1 71 71 PRO CB C 71 32.686 32.686 31.658 1.028 25284 3286 1 7 . 1 1 72 72 ARG N N 72 117.972 117.972 116.708 1.264 25284 3287 1 7 . 1 1 72 72 ARG HA H 72 3.609 3.609 3.949 -0.340 25284 3288 1 7 . 1 1 72 72 ARG C C 72 177.616 177.616 178.252 -0.636 25284 3289 1 7 . 1 1 72 72 ARG CA C 72 60.243 60.243 59.360 0.883 25284 3290 1 7 . 1 1 72 72 ARG CB C 72 30.524 30.524 29.087 1.437 25284 3291 1 7 . 1 1 72 72 ARG H H 72 9.016 9.016 7.756 1.260 25284 3292 1 7 . 1 1 73 73 GLU N N 73 116.790 116.790 120.653 -3.863 25284 3293 1 7 . 1 1 73 73 GLU HA H 73 4.242 4.242 4.099 0.143 25284 3294 1 7 . 1 1 73 73 GLU C C 73 180.200 180.200 178.981 1.219 25284 3295 1 7 . 1 1 73 73 GLU CA C 73 59.226 59.226 58.937 0.289 25284 3296 1 7 . 1 1 73 73 GLU CB C 73 30.069 30.069 29.442 0.628 25284 3297 1 7 . 1 1 73 73 GLU H H 73 7.838 7.838 7.850 -0.012 25284 3298 1 7 . 1 1 74 74 LEU N N 74 120.656 120.656 121.591 -0.935 25284 3299 1 7 . 1 1 74 74 LEU HA H 74 4.313 4.313 4.110 0.203 25284 3300 1 7 . 1 1 74 74 LEU C C 74 177.023 177.023 178.497 -1.474 25284 3301 1 7 . 1 1 74 74 LEU CA C 74 58.179 58.179 57.622 0.557 25284 3302 1 7 . 1 1 74 74 LEU CB C 74 42.292 42.292 41.610 0.682 25284 3303 1 7 . 1 1 74 74 LEU H H 74 7.703 7.703 7.475 0.228 25284 3304 1 7 . 1 1 75 75 LEU N N 75 121.434 121.434 119.833 1.601 25284 3305 1 7 . 1 1 75 75 LEU HA H 75 3.894 3.894 3.992 -0.098 25284 3306 1 7 . 1 1 75 75 LEU C C 75 178.169 178.169 178.044 0.125 25284 3307 1 7 . 1 1 75 75 LEU CA C 75 58.562 58.562 58.541 0.021 25284 3308 1 7 . 1 1 75 75 LEU CB C 75 42.408 42.408 41.582 0.826 25284 3309 1 7 . 1 1 75 75 LEU H H 75 8.743 8.743 8.660 0.083 25284 3310 1 7 . 1 1 76 76 ASP N N 76 117.849 117.849 118.700 -0.851 25284 3311 1 7 . 1 1 76 76 ASP HA H 76 4.488 4.488 4.628 -0.140 25284 3312 1 7 . 1 1 76 76 ASP C C 76 180.127 180.127 178.539 1.588 25284 3313 1 7 . 1 1 76 76 ASP CA C 76 57.487 57.487 56.862 0.625 25284 3314 1 7 . 1 1 76 76 ASP CB C 76 40.085 40.085 40.832 -0.747 25284 3315 1 7 . 1 1 76 76 ASP H H 76 8.711 8.711 7.879 0.832 25284 3316 1 7 . 1 1 77 77 LEU N N 77 123.252 123.252 121.068 2.184 25284 3317 1 7 . 1 1 77 77 LEU HA H 77 4.303 4.303 3.959 0.344 25284 3318 1 7 . 1 1 77 77 LEU C C 77 180.621 180.621 179.015 1.606 25284 3319 1 7 . 1 1 77 77 LEU CA C 77 58.439 58.439 58.111 0.328 25284 3320 1 7 . 1 1 77 77 LEU CB C 77 42.905 42.905 41.780 1.125 25284 3321 1 7 . 1 1 77 77 LEU H H 77 8.009 8.009 8.078 -0.069 25284 3322 1 7 . 1 1 78 78 ILE N N 78 120.216 120.216 119.629 0.587 25284 3323 1 7 . 1 1 78 78 ILE HA H 78 3.750 3.750 3.587 0.163 25284 3324 1 7 . 1 1 78 78 ILE C C 78 177.713 177.713 178.152 -0.439 25284 3325 1 7 . 1 1 78 78 ILE CA C 78 64.757 64.757 64.191 0.566 25284 3326 1 7 . 1 1 78 78 ILE CB C 78 37.402 37.402 36.519 0.883 25284 3327 1 7 . 1 1 78 78 ILE H H 78 8.294 8.294 8.029 0.265 25284 3328 1 7 . 1 1 79 79 ASN N N 79 118.191 118.191 118.577 -0.386 25284 3329 1 7 . 1 1 79 79 ASN HA H 79 4.912 4.912 4.340 0.572 25284 3330 1 7 . 1 1 79 79 ASN C C 79 179.524 179.524 178.074 1.450 25284 3331 1 7 . 1 1 79 79 ASN CA C 79 55.473 55.473 56.275 -0.802 25284 3332 1 7 . 1 1 79 79 ASN CB C 79 37.331 37.331 38.193 -0.862 25284 3333 1 7 . 1 1 79 79 ASN H H 79 8.887 8.887 8.446 0.441 25284 3334 1 7 . 1 1 80 80 GLY N N 80 110.387 110.387 108.117 2.270 25284 3335 1 7 . 1 1 80 80 GLY C C 80 175.783 175.783 175.426 0.357 25284 3336 1 7 . 1 1 80 80 GLY CA C 80 47.166 47.166 46.752 0.414 25284 3337 1 7 . 1 1 80 80 GLY H H 80 8.436 8.436 8.354 0.082 25284 3338 1 7 . 1 1 81 81 ALA N N 81 124.420 124.420 125.711 -1.291 25284 3339 1 7 . 1 1 81 81 ALA HA H 81 4.460 4.460 4.282 0.178 25284 3340 1 7 . 1 1 81 81 ALA C C 81 179.892 179.892 179.513 0.379 25284 3341 1 7 . 1 1 81 81 ALA CA C 81 54.389 54.389 54.523 -0.134 25284 3342 1 7 . 1 1 81 81 ALA CB C 81 18.824 18.824 18.553 0.271 25284 3343 1 7 . 1 1 81 81 ALA H H 81 7.606 7.606 8.146 -0.540 25284 3344 1 7 . 1 1 82 82 LEU N N 82 120.239 120.239 120.114 0.125 25284 3345 1 7 . 1 1 82 82 LEU HA H 82 4.214 4.214 4.066 0.148 25284 3346 1 7 . 1 1 82 82 LEU C C 82 178.884 178.884 178.068 0.816 25284 3347 1 7 . 1 1 82 82 LEU CA C 82 57.098 57.098 57.705 -0.607 25284 3348 1 7 . 1 1 82 82 LEU CB C 82 42.739 42.739 41.712 1.027 25284 3349 1 7 . 1 1 82 82 LEU H H 82 8.285 8.285 8.282 0.003 25284 3350 1 7 . 1 1 83 83 ALA N N 83 121.614 121.614 119.755 1.859 25284 3351 1 7 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.184 0.115 25284 3352 1 7 . 1 1 83 83 ALA C C 83 178.788 178.788 179.106 -0.318 25284 3353 1 7 . 1 1 83 83 ALA CA C 83 54.049 54.049 54.113 -0.064 25284 3354 1 7 . 1 1 83 83 ALA CB C 83 18.944 18.944 18.419 0.525 25284 3355 1 7 . 1 1 83 83 ALA H H 83 7.973 7.973 7.678 0.295 25284 3356 1 7 . 1 1 84 84 GLU N N 84 117.412 117.412 119.020 -1.608 25284 3357 1 7 . 1 1 84 84 GLU HA H 84 4.385 4.385 4.212 0.173 25284 3358 1 7 . 1 1 84 84 GLU C C 84 176.406 176.406 178.206 -1.800 25284 3359 1 7 . 1 1 84 84 GLU CA C 84 56.872 56.872 57.518 -0.646 25284 3360 1 7 . 1 1 84 84 GLU CB C 84 29.773 29.773 30.048 -0.275 25284 3361 1 7 . 1 1 84 84 GLU H H 84 7.753 7.753 7.872 -0.119 25284 3362 1 7 . 1 1 85 85 ALA N N 85 124.256 124.256 122.142 2.114 25284 3363 1 7 . 1 1 85 85 ALA HA H 85 4.471 4.471 4.257 0.214 25284 3364 1 7 . 1 1 85 85 ALA C C 85 176.625 176.625 177.335 -0.710 25284 3365 1 7 . 1 1 85 85 ALA CA C 85 52.679 52.679 53.479 -0.800 25284 3366 1 7 . 1 1 85 85 ALA CB C 85 19.702 19.702 19.527 0.175 25284 3367 1 7 . 1 1 85 85 ALA H H 85 7.832 7.832 7.779 0.053 25284 3368 1 8 . 1 1 2 2 ALA HA H 2 4.279 4.279 4.484 -0.205 25284 3369 1 8 . 1 1 2 2 ALA C C 2 173.785 173.785 176.623 -2.838 25284 3370 1 8 . 1 1 2 2 ALA CA C 2 52.136 52.136 52.616 -0.480 25284 3371 1 8 . 1 1 2 2 ALA CB C 2 20.083 20.083 19.385 0.698 25284 3372 1 8 . 1 1 3 3 THR N N 3 117.799 117.799 112.607 5.192 25284 3373 1 8 . 1 1 3 3 THR HA H 3 4.398 4.398 4.100 0.298 25284 3374 1 8 . 1 1 3 3 THR C C 3 172.979 172.979 172.808 0.171 25284 3375 1 8 . 1 1 3 3 THR CA C 3 62.907 62.907 62.296 0.611 25284 3376 1 8 . 1 1 3 3 THR CB C 3 70.082 70.082 68.558 1.524 25284 3377 1 8 . 1 1 3 3 THR H H 3 8.703 8.703 7.936 0.767 25284 3378 1 8 . 1 1 4 4 LEU N N 4 124.656 124.656 121.591 3.065 25284 3379 1 8 . 1 1 4 4 LEU HA H 4 4.373 4.373 4.415 -0.042 25284 3380 1 8 . 1 1 4 4 LEU C C 4 177.215 177.215 175.789 1.426 25284 3381 1 8 . 1 1 4 4 LEU CA C 4 54.852 54.852 53.395 1.457 25284 3382 1 8 . 1 1 4 4 LEU CB C 4 42.864 42.864 43.130 -0.266 25284 3383 1 8 . 1 1 4 4 LEU H H 4 8.155 8.155 7.776 0.379 25284 3384 1 8 . 1 1 5 5 LEU N N 5 124.772 124.772 126.760 -1.988 25284 3385 1 8 . 1 1 5 5 LEU HA H 5 4.530 4.530 4.306 0.224 25284 3386 1 8 . 1 1 5 5 LEU C C 5 177.915 177.915 177.101 0.814 25284 3387 1 8 . 1 1 5 5 LEU CA C 5 55.564 55.564 55.293 0.271 25284 3388 1 8 . 1 1 5 5 LEU CB C 5 42.806 42.806 40.730 2.076 25284 3389 1 8 . 1 1 5 5 LEU H H 5 9.421 9.421 8.407 1.014 25284 3390 1 8 . 1 1 6 6 THR N N 6 115.077 115.077 116.450 -1.373 25284 3391 1 8 . 1 1 6 6 THR HA H 6 4.745 4.745 4.662 0.083 25284 3392 1 8 . 1 1 6 6 THR C C 6 175.958 175.958 175.577 0.381 25284 3393 1 8 . 1 1 6 6 THR CA C 6 60.159 60.159 60.263 -0.104 25284 3394 1 8 . 1 1 6 6 THR CB C 6 72.442 72.442 70.423 2.019 25284 3395 1 8 . 1 1 6 6 THR H H 6 9.006 9.006 9.195 -0.189 25284 3396 1 8 . 1 1 7 7 THR N N 7 115.895 115.895 114.087 1.808 25284 3397 1 8 . 1 1 7 7 THR HA H 7 3.867 3.867 4.230 -0.363 25284 3398 1 8 . 1 1 7 7 THR C C 7 176.622 176.622 175.860 0.762 25284 3399 1 8 . 1 1 7 7 THR CA C 7 67.331 67.331 65.845 1.486 25284 3400 1 8 . 1 1 7 7 THR CB C 7 68.496 68.496 68.239 0.257 25284 3401 1 8 . 1 1 7 7 THR H H 7 8.864 8.864 8.511 0.353 25284 3402 1 8 . 1 1 8 8 ASP N N 8 120.253 120.253 121.986 -1.733 25284 3403 1 8 . 1 1 8 8 ASP HA H 8 4.629 4.629 4.587 0.042 25284 3404 1 8 . 1 1 8 8 ASP C C 8 178.593 178.593 177.365 1.228 25284 3405 1 8 . 1 1 8 8 ASP CA C 8 57.740 57.740 57.335 0.405 25284 3406 1 8 . 1 1 8 8 ASP CB C 8 41.273 41.273 41.341 -0.068 25284 3407 1 8 . 1 1 8 8 ASP H H 8 8.289 8.289 7.641 0.648 25284 3408 1 8 . 1 1 9 9 ASP N N 9 120.653 120.653 120.839 -0.186 25284 3409 1 8 . 1 1 9 9 ASP HA H 9 4.560 4.560 4.419 0.141 25284 3410 1 8 . 1 1 9 9 ASP C C 9 179.465 179.465 178.676 0.789 25284 3411 1 8 . 1 1 9 9 ASP CA C 9 57.608 57.608 57.728 -0.120 25284 3412 1 8 . 1 1 9 9 ASP CB C 9 41.559 41.559 40.848 0.711 25284 3413 1 8 . 1 1 9 9 ASP H H 9 7.916 7.916 7.598 0.318 25284 3414 1 8 . 1 1 10 10 LEU N N 10 121.585 121.585 120.388 1.197 25284 3415 1 8 . 1 1 10 10 LEU HA H 10 4.216 4.216 4.090 0.126 25284 3416 1 8 . 1 1 10 10 LEU C C 10 177.517 177.517 178.038 -0.521 25284 3417 1 8 . 1 1 10 10 LEU CA C 10 58.031 58.031 58.033 -0.002 25284 3418 1 8 . 1 1 10 10 LEU CB C 10 42.146 42.146 42.115 0.031 25284 3419 1 8 . 1 1 10 10 LEU H H 10 8.086 8.086 8.016 0.070 25284 3420 1 8 . 1 1 11 11 ARG N N 11 120.099 120.099 118.953 1.146 25284 3421 1 8 . 1 1 11 11 ARG HA H 11 3.514 3.514 3.344 0.170 25284 3422 1 8 . 1 1 11 11 ARG C C 11 177.769 177.769 178.290 -0.521 25284 3423 1 8 . 1 1 11 11 ARG CA C 11 60.715 60.715 59.629 1.086 25284 3424 1 8 . 1 1 11 11 ARG CB C 11 30.775 30.775 29.911 0.864 25284 3425 1 8 . 1 1 11 11 ARG H H 11 8.852 8.852 7.772 1.080 25284 3426 1 8 . 1 1 12 12 ARG N N 12 115.840 115.840 118.467 -2.627 25284 3427 1 8 . 1 1 12 12 ARG HA H 12 4.032 4.032 3.956 0.076 25284 3428 1 8 . 1 1 12 12 ARG C C 12 178.492 178.492 178.568 -0.076 25284 3429 1 8 . 1 1 12 12 ARG CA C 12 59.592 59.592 59.171 0.421 25284 3430 1 8 . 1 1 12 12 ARG CB C 12 30.583 30.583 29.941 0.642 25284 3431 1 8 . 1 1 12 12 ARG H H 12 7.996 7.996 7.536 0.460 25284 3432 1 8 . 1 1 13 13 ALA N N 13 120.184 120.184 123.004 -2.820 25284 3433 1 8 . 1 1 13 13 ALA HA H 13 4.401 4.401 4.211 0.190 25284 3434 1 8 . 1 1 13 13 ALA C C 13 180.114 180.114 179.900 0.214 25284 3435 1 8 . 1 1 13 13 ALA CA C 13 54.938 54.938 54.826 0.112 25284 3436 1 8 . 1 1 13 13 ALA CB C 13 18.756 18.756 18.716 0.040 25284 3437 1 8 . 1 1 13 13 ALA H H 13 7.705 7.705 7.786 -0.081 25284 3438 1 8 . 1 1 14 14 LEU N N 14 119.427 119.427 119.340 0.087 25284 3439 1 8 . 1 1 14 14 LEU HA H 14 4.424 4.424 4.262 0.162 25284 3440 1 8 . 1 1 14 14 LEU C C 14 179.766 179.766 178.659 1.107 25284 3441 1 8 . 1 1 14 14 LEU CA C 14 57.568 57.568 57.075 0.493 25284 3442 1 8 . 1 1 14 14 LEU CB C 14 42.039 42.039 41.955 0.085 25284 3443 1 8 . 1 1 14 14 LEU H H 14 8.424 8.424 8.456 -0.032 25284 3444 1 8 . 1 1 15 15 VAL N N 15 121.004 121.004 121.222 -0.218 25284 3445 1 8 . 1 1 15 15 VAL HA H 15 3.920 3.920 3.570 0.350 25284 3446 1 8 . 1 1 15 15 VAL C C 15 179.014 179.014 177.616 1.398 25284 3447 1 8 . 1 1 15 15 VAL CA C 15 66.259 66.259 67.442 -1.183 25284 3448 1 8 . 1 1 15 15 VAL CB C 15 32.137 32.137 31.632 0.505 25284 3449 1 8 . 1 1 15 15 VAL H H 15 8.519 8.519 7.650 0.869 25284 3450 1 8 . 1 1 16 16 GLU N N 16 119.984 119.984 119.494 0.490 25284 3451 1 8 . 1 1 16 16 GLU HA H 16 4.206 4.206 3.964 0.242 25284 3452 1 8 . 1 1 16 16 GLU C C 16 178.547 178.547 179.129 -0.582 25284 3453 1 8 . 1 1 16 16 GLU CA C 16 59.042 59.042 59.325 -0.284 25284 3454 1 8 . 1 1 16 16 GLU CB C 16 29.692 29.692 29.472 0.220 25284 3455 1 8 . 1 1 16 16 GLU H H 16 8.218 8.218 8.253 -0.035 25284 3456 1 8 . 1 1 17 17 SER N N 17 113.928 113.928 113.986 -0.058 25284 3457 1 8 . 1 1 17 17 SER HA H 17 4.577 4.577 4.394 0.183 25284 3458 1 8 . 1 1 17 17 SER C C 17 174.273 174.273 174.177 0.096 25284 3459 1 8 . 1 1 17 17 SER CA C 17 59.940 59.940 60.324 -0.384 25284 3460 1 8 . 1 1 17 17 SER CB C 17 64.378 64.378 63.360 1.018 25284 3461 1 8 . 1 1 17 17 SER H H 17 7.798 7.798 8.152 -0.354 25284 3462 1 8 . 1 1 18 18 ALA N N 18 123.357 123.357 122.536 0.821 25284 3463 1 8 . 1 1 18 18 ALA HA H 18 4.347 4.347 3.998 0.349 25284 3464 1 8 . 1 1 18 18 ALA C C 18 178.292 178.292 178.777 -0.485 25284 3465 1 8 . 1 1 18 18 ALA CA C 18 52.991 52.991 53.547 -0.556 25284 3466 1 8 . 1 1 18 18 ALA CB C 18 19.965 19.965 19.133 0.832 25284 3467 1 8 . 1 1 18 18 ALA H H 18 7.813 7.813 7.466 0.347 25284 3468 1 8 . 1 1 19 19 GLY N N 19 107.711 107.711 108.434 -0.723 25284 3469 1 8 . 1 1 19 19 GLY C C 19 174.440 174.440 175.070 -0.630 25284 3470 1 8 . 1 1 19 19 GLY CA C 19 45.650 45.650 46.842 -1.192 25284 3471 1 8 . 1 1 19 19 GLY H H 19 8.256 8.256 8.083 0.173 25284 3472 1 8 . 1 1 20 20 GLU N N 20 120.763 120.763 121.523 -0.760 25284 3473 1 8 . 1 1 20 20 GLU HA H 20 4.477 4.477 4.520 -0.043 25284 3474 1 8 . 1 1 20 20 GLU C C 20 176.905 176.905 176.591 0.314 25284 3475 1 8 . 1 1 20 20 GLU CA C 20 56.896 56.896 55.580 1.316 25284 3476 1 8 . 1 1 20 20 GLU CB C 20 30.160 30.160 29.812 0.348 25284 3477 1 8 . 1 1 20 20 GLU H H 20 8.508 8.508 8.192 0.316 25284 3478 1 8 . 1 1 21 21 THR N N 21 114.316 114.316 115.341 -1.025 25284 3479 1 8 . 1 1 21 21 THR HA H 21 4.529 4.529 4.391 0.138 25284 3480 1 8 . 1 1 21 21 THR C C 21 174.564 174.564 173.499 1.065 25284 3481 1 8 . 1 1 21 21 THR CA C 21 61.942 61.942 60.364 1.579 25284 3482 1 8 . 1 1 21 21 THR CB C 21 70.323 70.323 70.584 -0.261 25284 3483 1 8 . 1 1 21 21 THR H H 21 8.258 8.258 7.350 0.908 25284 3484 1 8 . 1 1 22 22 ASP N N 22 122.479 122.479 121.383 1.096 25284 3485 1 8 . 1 1 22 22 ASP HA H 22 4.728 4.728 4.614 0.114 25284 3486 1 8 . 1 1 22 22 ASP C C 22 176.913 176.913 176.927 -0.014 25284 3487 1 8 . 1 1 22 22 ASP CA C 22 54.806 54.806 54.418 0.388 25284 3488 1 8 . 1 1 22 22 ASP CB C 22 41.144 41.144 41.422 -0.278 25284 3489 1 8 . 1 1 22 22 ASP H H 22 8.506 8.506 8.569 -0.063 25284 3490 1 8 . 1 1 23 23 GLY N N 23 109.608 109.608 113.653 -4.045 25284 3491 1 8 . 1 1 23 23 GLY C C 23 174.806 174.806 174.368 0.438 25284 3492 1 8 . 1 1 23 23 GLY CA C 23 45.969 45.969 44.853 1.116 25284 3493 1 8 . 1 1 23 23 GLY H H 23 8.503 8.503 8.711 -0.208 25284 3494 1 8 . 1 1 24 24 THR N N 24 116.205 116.205 115.800 0.405 25284 3495 1 8 . 1 1 24 24 THR HA H 24 4.333 4.333 4.288 0.045 25284 3496 1 8 . 1 1 24 24 THR C C 24 174.247 174.247 173.613 0.634 25284 3497 1 8 . 1 1 24 24 THR CA C 24 63.240 63.240 61.556 1.684 25284 3498 1 8 . 1 1 24 24 THR CB C 24 70.056 70.056 69.824 0.232 25284 3499 1 8 . 1 1 24 24 THR H H 24 8.152 8.152 7.676 0.476 25284 3500 1 8 . 1 1 25 25 ASP N N 25 124.096 124.096 120.324 3.772 25284 3501 1 8 . 1 1 25 25 ASP HA H 25 4.718 4.718 4.725 -0.007 25284 3502 1 8 . 1 1 25 25 ASP C C 25 176.223 176.223 175.415 0.808 25284 3503 1 8 . 1 1 25 25 ASP CA C 25 54.536 54.536 54.072 0.465 25284 3504 1 8 . 1 1 25 25 ASP CB C 25 41.163 41.163 41.499 -0.336 25284 3505 1 8 . 1 1 25 25 ASP H H 25 8.620 8.620 8.634 -0.014 25284 3506 1 8 . 1 1 26 26 LEU N N 26 123.934 123.934 125.388 -1.454 25284 3507 1 8 . 1 1 26 26 LEU HA H 26 4.365 4.365 4.649 -0.284 25284 3508 1 8 . 1 1 26 26 LEU C C 26 176.356 176.356 176.592 -0.236 25284 3509 1 8 . 1 1 26 26 LEU CA C 26 54.374 54.374 54.134 0.240 25284 3510 1 8 . 1 1 26 26 LEU CB C 26 41.235 41.235 41.192 0.043 25284 3511 1 8 . 1 1 26 26 LEU H H 26 8.482 8.482 8.548 -0.066 25284 3512 1 8 . 1 1 27 27 SER N N 27 115.330 115.330 115.733 -0.403 25284 3513 1 8 . 1 1 27 27 SER HA H 27 4.300 4.300 4.507 -0.207 25284 3514 1 8 . 1 1 27 27 SER C C 27 175.077 175.077 175.226 -0.149 25284 3515 1 8 . 1 1 27 27 SER CA C 27 59.917 59.917 59.557 0.360 25284 3516 1 8 . 1 1 27 27 SER CB C 27 64.229 64.229 63.616 0.613 25284 3517 1 8 . 1 1 27 27 SER H H 27 8.214 8.214 8.203 0.011 25284 3518 1 8 . 1 1 28 28 GLY N N 28 111.630 111.630 109.932 1.698 25284 3519 1 8 . 1 1 28 28 GLY C C 28 174.303 174.303 173.387 0.916 25284 3520 1 8 . 1 1 28 28 GLY CA C 28 45.500 45.500 44.731 0.769 25284 3521 1 8 . 1 1 28 28 GLY H H 28 8.592 8.592 7.803 0.789 25284 3522 1 8 . 1 1 29 29 ASP N N 29 123.552 123.552 120.213 3.339 25284 3523 1 8 . 1 1 29 29 ASP HA H 29 4.851 4.851 4.348 0.503 25284 3524 1 8 . 1 1 29 29 ASP C C 29 176.494 176.494 174.758 1.736 25284 3525 1 8 . 1 1 29 29 ASP CA C 29 54.312 54.312 54.783 -0.471 25284 3526 1 8 . 1 1 29 29 ASP CB C 29 39.771 39.771 41.069 -1.298 25284 3527 1 8 . 1 1 29 29 ASP H H 29 8.690 8.690 8.418 0.272 25284 3528 1 8 . 1 1 30 30 PHE N N 30 122.578 122.578 118.798 3.780 25284 3529 1 8 . 1 1 30 30 PHE HA H 30 4.764 4.764 4.717 0.047 25284 3530 1 8 . 1 1 30 30 PHE C C 30 175.529 175.529 174.755 0.774 25284 3531 1 8 . 1 1 30 30 PHE CA C 30 57.493 57.493 56.770 0.723 25284 3532 1 8 . 1 1 30 30 PHE CB C 30 40.639 40.639 39.145 1.494 25284 3533 1 8 . 1 1 30 30 PHE H H 30 8.076 8.076 7.815 0.261 25284 3534 1 8 . 1 1 31 31 LEU N N 31 119.188 119.188 123.450 -4.262 25284 3535 1 8 . 1 1 31 31 LEU HA H 31 3.302 3.302 3.698 -0.396 25284 3536 1 8 . 1 1 31 31 LEU C C 31 176.503 176.503 176.505 -0.002 25284 3537 1 8 . 1 1 31 31 LEU CA C 31 57.940 57.940 56.558 1.382 25284 3538 1 8 . 1 1 31 31 LEU CB C 31 42.218 42.218 42.196 0.022 25284 3539 1 8 . 1 1 31 31 LEU H H 31 7.535 7.535 8.549 -1.014 25284 3540 1 8 . 1 1 32 32 ASP N N 32 112.101 112.101 115.971 -3.870 25284 3541 1 8 . 1 1 32 32 ASP HA H 32 5.047 5.047 4.525 0.522 25284 3542 1 8 . 1 1 32 32 ASP C C 32 176.064 176.064 175.131 0.933 25284 3543 1 8 . 1 1 32 32 ASP CA C 32 53.755 53.755 54.242 -0.487 25284 3544 1 8 . 1 1 32 32 ASP CB C 32 41.824 41.824 41.627 0.197 25284 3545 1 8 . 1 1 32 32 ASP H H 32 8.087 8.087 7.700 0.387 25284 3546 1 8 . 1 1 33 33 LEU N N 33 122.380 122.380 119.108 3.272 25284 3547 1 8 . 1 1 33 33 LEU HA H 33 4.309 4.309 4.354 -0.044 25284 3548 1 8 . 1 1 33 33 LEU C C 33 174.879 174.879 175.583 -0.704 25284 3549 1 8 . 1 1 33 33 LEU CA C 33 54.566 54.566 54.784 -0.218 25284 3550 1 8 . 1 1 33 33 LEU CB C 33 42.528 42.528 43.780 -1.252 25284 3551 1 8 . 1 1 33 33 LEU H H 33 7.222 7.222 7.077 0.145 25284 3552 1 8 . 1 1 34 34 ARG N N 34 116.439 116.439 120.967 -4.528 25284 3553 1 8 . 1 1 34 34 ARG HA H 34 4.725 4.725 4.573 0.152 25284 3554 1 8 . 1 1 34 34 ARG C C 34 179.778 179.778 178.107 1.671 25284 3555 1 8 . 1 1 34 34 ARG CA C 34 55.536 55.536 54.029 1.507 25284 3556 1 8 . 1 1 34 34 ARG CB C 34 30.173 30.173 30.728 -0.555 25284 3557 1 8 . 1 1 34 34 ARG H H 34 8.487 8.487 8.239 0.248 25284 3558 1 8 . 1 1 35 35 PHE N N 35 123.548 123.548 122.964 0.584 25284 3559 1 8 . 1 1 35 35 PHE HA H 35 4.385 4.385 4.182 0.203 25284 3560 1 8 . 1 1 35 35 PHE C C 35 178.776 178.776 177.778 0.998 25284 3561 1 8 . 1 1 35 35 PHE CA C 35 63.121 63.121 62.519 0.602 25284 3562 1 8 . 1 1 35 35 PHE CB C 35 37.967 37.967 38.636 -0.669 25284 3563 1 8 . 1 1 35 35 PHE H H 35 8.455 8.455 8.870 -0.415 25284 3564 1 8 . 1 1 36 36 GLU N N 36 117.380 117.380 116.606 0.774 25284 3565 1 8 . 1 1 36 36 GLU HA H 36 4.358 4.358 4.131 0.227 25284 3566 1 8 . 1 1 36 36 GLU C C 36 178.612 178.612 177.784 0.828 25284 3567 1 8 . 1 1 36 36 GLU CA C 36 59.145 59.145 58.574 0.571 25284 3568 1 8 . 1 1 36 36 GLU CB C 36 29.301 29.301 29.029 0.272 25284 3569 1 8 . 1 1 36 36 GLU H H 36 9.560 9.560 8.762 0.798 25284 3570 1 8 . 1 1 37 37 ASP N N 37 118.596 118.596 120.045 -1.449 25284 3571 1 8 . 1 1 37 37 ASP HA H 37 4.810 4.810 4.587 0.223 25284 3572 1 8 . 1 1 37 37 ASP C C 37 177.993 177.993 177.880 0.113 25284 3573 1 8 . 1 1 37 37 ASP CA C 37 56.474 56.474 56.102 0.372 25284 3574 1 8 . 1 1 37 37 ASP CB C 37 41.411 41.411 41.671 -0.260 25284 3575 1 8 . 1 1 37 37 ASP H H 37 7.546 7.546 7.727 -0.181 25284 3576 1 8 . 1 1 38 38 ILE N N 38 113.080 113.080 113.453 -0.373 25284 3577 1 8 . 1 1 38 38 ILE HA H 38 4.663 4.663 4.409 0.254 25284 3578 1 8 . 1 1 38 38 ILE C C 38 176.140 176.140 175.999 0.141 25284 3579 1 8 . 1 1 38 38 ILE CA C 38 62.038 62.038 61.100 0.938 25284 3580 1 8 . 1 1 38 38 ILE CB C 38 38.755 38.755 37.411 1.344 25284 3581 1 8 . 1 1 38 38 ILE H H 38 7.725 7.725 7.706 0.019 25284 3582 1 8 . 1 1 39 39 GLY N N 39 107.376 107.376 108.312 -0.936 25284 3583 1 8 . 1 1 39 39 GLY C C 39 174.497 174.497 174.552 -0.055 25284 3584 1 8 . 1 1 39 39 GLY CA C 39 46.580 46.580 45.939 0.641 25284 3585 1 8 . 1 1 39 39 GLY H H 39 7.736 7.736 7.716 0.020 25284 3586 1 8 . 1 1 40 40 TYR N N 40 121.883 121.883 120.541 1.342 25284 3587 1 8 . 1 1 40 40 TYR HA H 40 4.583 4.583 4.512 0.071 25284 3588 1 8 . 1 1 40 40 TYR C C 40 174.479 174.479 174.785 -0.306 25284 3589 1 8 . 1 1 40 40 TYR CA C 40 58.153 58.153 59.468 -1.315 25284 3590 1 8 . 1 1 40 40 TYR CB C 40 40.535 40.535 38.367 2.168 25284 3591 1 8 . 1 1 40 40 TYR H H 40 8.059 8.059 8.605 -0.546 25284 3592 1 8 . 1 1 41 41 ASP N N 41 124.021 124.021 123.703 0.318 25284 3593 1 8 . 1 1 41 41 ASP HA H 41 4.739 4.739 4.786 -0.047 25284 3594 1 8 . 1 1 41 41 ASP C C 41 175.831 175.831 177.210 -1.379 25284 3595 1 8 . 1 1 41 41 ASP CA C 41 52.669 52.669 52.493 0.176 25284 3596 1 8 . 1 1 41 41 ASP CB C 41 42.015 42.015 43.614 -1.599 25284 3597 1 8 . 1 1 41 41 ASP H H 41 7.992 7.992 8.219 -0.227 25284 3598 1 8 . 1 1 42 42 SER N N 42 114.198 114.198 116.252 -2.054 25284 3599 1 8 . 1 1 42 42 SER HA H 42 4.272 4.272 4.258 0.014 25284 3600 1 8 . 1 1 42 42 SER C C 42 176.102 176.102 176.781 -0.679 25284 3601 1 8 . 1 1 42 42 SER CA C 42 60.657 60.657 61.625 -0.968 25284 3602 1 8 . 1 1 42 42 SER CB C 42 66.110 66.110 63.086 3.024 25284 3603 1 8 . 1 1 43 43 LEU N N 43 124.254 124.254 120.697 3.557 25284 3604 1 8 . 1 1 43 43 LEU HA H 43 4.269 4.269 4.055 0.214 25284 3605 1 8 . 1 1 43 43 LEU C C 43 179.140 179.140 178.289 0.851 25284 3606 1 8 . 1 1 43 43 LEU CA C 43 58.567 58.567 57.251 1.316 25284 3607 1 8 . 1 1 43 43 LEU CB C 43 41.178 41.178 41.451 -0.273 25284 3608 1 8 . 1 1 43 43 LEU H H 43 7.792 7.792 8.262 -0.470 25284 3609 1 8 . 1 1 44 44 ALA N N 44 123.473 123.473 121.447 2.026 25284 3610 1 8 . 1 1 44 44 ALA HA H 44 4.318 4.318 4.059 0.259 25284 3611 1 8 . 1 1 44 44 ALA C C 44 181.903 181.903 179.956 1.947 25284 3612 1 8 . 1 1 44 44 ALA CA C 44 55.068 55.068 55.086 -0.018 25284 3613 1 8 . 1 1 44 44 ALA CB C 44 18.556 18.556 18.062 0.494 25284 3614 1 8 . 1 1 44 44 ALA H H 44 8.140 8.140 8.388 -0.248 25284 3615 1 8 . 1 1 45 45 LEU N N 45 121.524 121.524 120.524 1.000 25284 3616 1 8 . 1 1 45 45 LEU HA H 45 3.898 3.898 4.120 -0.222 25284 3617 1 8 . 1 1 45 45 LEU C C 45 179.040 179.040 178.606 0.434 25284 3618 1 8 . 1 1 45 45 LEU CA C 45 58.475 58.475 57.783 0.692 25284 3619 1 8 . 1 1 45 45 LEU CB C 45 41.780 41.780 41.060 0.720 25284 3620 1 8 . 1 1 45 45 LEU H H 45 8.442 8.442 7.599 0.843 25284 3621 1 8 . 1 1 46 46 MET N N 46 119.769 119.769 118.274 1.495 25284 3622 1 8 . 1 1 46 46 MET HA H 46 4.265 4.265 3.994 0.271 25284 3623 1 8 . 1 1 46 46 MET C C 46 180.609 180.609 178.865 1.744 25284 3624 1 8 . 1 1 46 46 MET CA C 46 58.853 58.853 59.840 -0.987 25284 3625 1 8 . 1 1 46 46 MET CB C 46 32.119 32.119 32.029 0.090 25284 3626 1 8 . 1 1 46 46 MET H H 46 8.234 8.234 7.824 0.410 25284 3627 1 8 . 1 1 47 47 GLU N N 47 121.097 121.097 119.868 1.229 25284 3628 1 8 . 1 1 47 47 GLU HA H 47 4.228 4.228 4.072 0.156 25284 3629 1 8 . 1 1 47 47 GLU C C 47 179.333 179.333 179.303 0.030 25284 3630 1 8 . 1 1 47 47 GLU CA C 47 59.644 59.644 59.883 -0.238 25284 3631 1 8 . 1 1 47 47 GLU CB C 47 28.977 28.977 29.189 -0.212 25284 3632 1 8 . 1 1 47 47 GLU H H 47 8.517 8.517 8.734 -0.217 25284 3633 1 8 . 1 1 48 48 THR N N 48 118.834 118.834 116.509 2.325 25284 3634 1 8 . 1 1 48 48 THR HA H 48 3.961 3.961 4.044 -0.083 25284 3635 1 8 . 1 1 48 48 THR C C 48 176.348 176.348 176.633 -0.285 25284 3636 1 8 . 1 1 48 48 THR CA C 48 67.842 67.842 66.418 1.424 25284 3637 1 8 . 1 1 48 48 THR CB C 48 68.056 68.056 68.730 -0.674 25284 3638 1 8 . 1 1 48 48 THR H H 48 8.325 8.325 8.054 0.271 25284 3639 1 8 . 1 1 49 49 ALA N N 49 123.924 123.924 123.167 0.757 25284 3640 1 8 . 1 1 49 49 ALA HA H 49 3.926 3.926 4.025 -0.099 25284 3641 1 8 . 1 1 49 49 ALA C C 49 178.608 178.608 179.420 -0.812 25284 3642 1 8 . 1 1 49 49 ALA CA C 49 56.247 56.247 55.127 1.120 25284 3643 1 8 . 1 1 49 49 ALA CB C 49 17.569 17.569 18.146 -0.577 25284 3644 1 8 . 1 1 49 49 ALA H H 49 8.747 8.747 8.323 0.424 25284 3645 1 8 . 1 1 50 50 ALA N N 50 119.691 119.691 121.269 -1.578 25284 3646 1 8 . 1 1 50 50 ALA HA H 50 4.269 4.269 4.366 -0.097 25284 3647 1 8 . 1 1 50 50 ALA C C 50 181.310 181.310 179.410 1.900 25284 3648 1 8 . 1 1 50 50 ALA CA C 50 55.422 55.422 54.667 0.755 25284 3649 1 8 . 1 1 50 50 ALA CB C 50 18.171 18.171 18.271 -0.100 25284 3650 1 8 . 1 1 50 50 ALA H H 50 8.245 8.245 8.452 -0.207 25284 3651 1 8 . 1 1 51 51 ARG N N 51 119.913 119.913 118.609 1.304 25284 3652 1 8 . 1 1 51 51 ARG HA H 51 4.247 4.247 4.191 0.056 25284 3653 1 8 . 1 1 51 51 ARG C C 51 179.808 179.808 178.444 1.364 25284 3654 1 8 . 1 1 51 51 ARG CA C 51 59.673 59.673 58.677 0.996 25284 3655 1 8 . 1 1 51 51 ARG CB C 51 30.539 30.539 29.915 0.624 25284 3656 1 8 . 1 1 51 51 ARG H H 51 8.129 8.129 7.926 0.203 25284 3657 1 8 . 1 1 52 52 LEU N N 52 120.624 120.624 119.557 1.067 25284 3658 1 8 . 1 1 52 52 LEU HA H 52 4.319 4.319 4.356 -0.037 25284 3659 1 8 . 1 1 52 52 LEU C C 52 179.192 179.192 178.682 0.510 25284 3660 1 8 . 1 1 52 52 LEU CA C 52 58.253 58.253 57.352 0.901 25284 3661 1 8 . 1 1 52 52 LEU CB C 52 42.812 42.812 42.014 0.798 25284 3662 1 8 . 1 1 52 52 LEU H H 52 8.423 8.423 7.699 0.724 25284 3663 1 8 . 1 1 53 53 GLU N N 53 119.779 119.779 120.418 -0.639 25284 3664 1 8 . 1 1 53 53 GLU HA H 53 4.108 4.108 3.936 0.172 25284 3665 1 8 . 1 1 53 53 GLU C C 53 179.388 179.388 179.491 -0.103 25284 3666 1 8 . 1 1 53 53 GLU CA C 53 60.211 60.211 60.055 0.156 25284 3667 1 8 . 1 1 53 53 GLU CB C 53 29.143 29.143 29.515 -0.372 25284 3668 1 8 . 1 1 53 53 GLU H H 53 8.974 8.974 8.835 0.139 25284 3669 1 8 . 1 1 54 54 SER N N 54 113.169 113.169 113.543 -0.374 25284 3670 1 8 . 1 1 54 54 SER HA H 54 4.384 4.384 4.201 0.183 25284 3671 1 8 . 1 1 54 54 SER C C 54 176.953 176.953 175.614 1.339 25284 3672 1 8 . 1 1 54 54 SER CA C 54 61.279 61.279 61.675 -0.396 25284 3673 1 8 . 1 1 54 54 SER CB C 54 63.402 63.402 63.102 0.300 25284 3674 1 8 . 1 1 54 54 SER H H 54 8.037 8.037 8.193 -0.156 25284 3675 1 8 . 1 1 55 55 ARG N N 55 120.851 120.851 121.054 -0.203 25284 3676 1 8 . 1 1 55 55 ARG HA H 55 4.100 4.100 4.081 0.019 25284 3677 1 8 . 1 1 55 55 ARG C C 55 177.905 177.905 177.764 0.141 25284 3678 1 8 . 1 1 55 55 ARG CA C 55 58.949 58.949 58.130 0.819 25284 3679 1 8 . 1 1 55 55 ARG CB C 55 30.896 30.896 30.692 0.204 25284 3680 1 8 . 1 1 55 55 ARG H H 55 8.099 8.099 7.574 0.525 25284 3681 1 8 . 1 1 56 56 TYR N N 56 113.669 113.669 115.770 -2.101 25284 3682 1 8 . 1 1 56 56 TYR HA H 56 4.687 4.687 4.562 0.125 25284 3683 1 8 . 1 1 56 56 TYR C C 56 176.069 176.069 176.428 -0.359 25284 3684 1 8 . 1 1 56 56 TYR CA C 56 59.055 59.055 58.607 0.448 25284 3685 1 8 . 1 1 56 56 TYR CB C 56 39.465 39.465 39.663 -0.198 25284 3686 1 8 . 1 1 56 56 TYR H H 56 8.158 8.158 7.902 0.256 25284 3687 1 8 . 1 1 57 57 GLY N N 57 109.856 109.856 108.469 1.387 25284 3688 1 8 . 1 1 57 57 GLY C C 57 174.642 174.642 173.953 0.689 25284 3689 1 8 . 1 1 57 57 GLY CA C 57 47.476 47.476 45.040 2.436 25284 3690 1 8 . 1 1 57 57 GLY H H 57 7.982 7.982 8.046 -0.064 25284 3691 1 8 . 1 1 58 58 VAL N N 58 112.572 112.572 113.303 -0.731 25284 3692 1 8 . 1 1 58 58 VAL HA H 58 4.676 4.676 4.590 0.086 25284 3693 1 8 . 1 1 58 58 VAL C C 58 174.069 174.069 173.372 0.697 25284 3694 1 8 . 1 1 58 58 VAL CA C 58 59.313 59.313 59.215 0.098 25284 3695 1 8 . 1 1 58 58 VAL CB C 58 34.744 34.744 34.798 -0.054 25284 3696 1 8 . 1 1 58 58 VAL H H 58 7.497 7.497 7.532 -0.035 25284 3697 1 8 . 1 1 59 59 SER N N 59 117.179 117.179 114.605 2.574 25284 3698 1 8 . 1 1 59 59 SER HA H 59 4.846 4.846 4.975 -0.129 25284 3699 1 8 . 1 1 59 59 SER C C 59 173.699 173.699 173.175 0.524 25284 3700 1 8 . 1 1 59 59 SER CA C 59 57.401 57.401 57.971 -0.570 25284 3701 1 8 . 1 1 59 59 SER CB C 59 64.502 64.502 64.858 -0.355 25284 3702 1 8 . 1 1 59 59 SER H H 59 8.489 8.489 8.054 0.435 25284 3703 1 8 . 1 1 60 60 ILE N N 60 125.858 125.858 126.306 -0.448 25284 3704 1 8 . 1 1 60 60 ILE HA H 60 4.651 4.651 4.430 0.221 25284 3705 1 8 . 1 1 60 60 ILE CA C 60 57.694 57.694 58.403 -0.709 25284 3706 1 8 . 1 1 60 60 ILE CB C 60 40.500 40.500 38.675 1.825 25284 3707 1 8 . 1 1 60 60 ILE H H 60 8.222 8.222 9.294 -1.072 25284 3708 1 8 . 1 1 61 61 PRO HA H 61 4.530 4.530 4.479 0.051 25284 3709 1 8 . 1 1 61 61 PRO C C 61 177.512 177.512 177.566 -0.054 25284 3710 1 8 . 1 1 61 61 PRO CA C 61 63.561 63.561 62.442 1.119 25284 3711 1 8 . 1 1 61 61 PRO CB C 61 32.770 32.770 32.546 0.224 25284 3712 1 8 . 1 1 62 62 ASP N N 62 123.459 123.459 122.135 1.324 25284 3713 1 8 . 1 1 62 62 ASP HA H 62 4.449 4.449 4.203 0.246 25284 3714 1 8 . 1 1 62 62 ASP C C 62 177.284 177.284 178.273 -0.989 25284 3715 1 8 . 1 1 62 62 ASP CA C 62 57.112 57.112 58.641 -1.528 25284 3716 1 8 . 1 1 62 62 ASP CB C 62 40.740 40.740 40.446 0.294 25284 3717 1 8 . 1 1 62 62 ASP H H 62 8.831 8.831 8.764 0.067 25284 3718 1 8 . 1 1 63 63 ASP N N 63 116.794 116.794 117.358 -0.564 25284 3719 1 8 . 1 1 63 63 ASP HA H 63 4.529 4.529 4.442 0.087 25284 3720 1 8 . 1 1 63 63 ASP C C 63 177.294 177.294 177.476 -0.182 25284 3721 1 8 . 1 1 63 63 ASP CA C 63 54.956 54.956 56.701 -1.745 25284 3722 1 8 . 1 1 63 63 ASP CB C 63 39.687 39.687 40.313 -0.626 25284 3723 1 8 . 1 1 63 63 ASP H H 63 8.617 8.617 8.570 0.047 25284 3724 1 8 . 1 1 64 64 VAL N N 64 119.209 119.209 118.034 1.175 25284 3725 1 8 . 1 1 64 64 VAL HA H 64 3.812 3.812 3.887 -0.075 25284 3726 1 8 . 1 1 64 64 VAL C C 64 177.556 177.556 177.722 -0.166 25284 3727 1 8 . 1 1 64 64 VAL CA C 64 65.179 65.179 64.606 0.573 25284 3728 1 8 . 1 1 64 64 VAL CB C 64 32.413 32.413 32.146 0.267 25284 3729 1 8 . 1 1 64 64 VAL H H 64 7.407 7.407 7.337 0.070 25284 3730 1 8 . 1 1 65 65 ALA N N 65 122.418 122.418 123.234 -0.816 25284 3731 1 8 . 1 1 65 65 ALA HA H 65 3.987 3.987 4.053 -0.066 25284 3732 1 8 . 1 1 65 65 ALA C C 65 177.994 177.994 178.897 -0.903 25284 3733 1 8 . 1 1 65 65 ALA CA C 65 54.842 54.842 54.437 0.405 25284 3734 1 8 . 1 1 65 65 ALA CB C 65 18.522 18.522 18.473 0.049 25284 3735 1 8 . 1 1 65 65 ALA H H 65 8.246 8.246 8.042 0.204 25284 3736 1 8 . 1 1 66 66 GLY N N 66 100.378 100.378 103.868 -3.490 25284 3737 1 8 . 1 1 66 66 GLY C C 66 174.387 174.387 174.158 0.229 25284 3738 1 8 . 1 1 66 66 GLY CA C 66 46.015 46.015 44.869 1.146 25284 3739 1 8 . 1 1 66 66 GLY H H 66 8.021 8.021 8.370 -0.349 25284 3740 1 8 . 1 1 67 67 ARG N N 67 116.838 116.838 119.341 -2.503 25284 3741 1 8 . 1 1 67 67 ARG HA H 67 4.623 4.623 4.534 0.089 25284 3742 1 8 . 1 1 67 67 ARG C C 67 176.509 176.509 175.898 0.611 25284 3743 1 8 . 1 1 67 67 ARG CA C 67 55.883 55.883 55.614 0.269 25284 3744 1 8 . 1 1 67 67 ARG CB C 67 31.911 31.911 31.543 0.368 25284 3745 1 8 . 1 1 67 67 ARG H H 67 7.483 7.483 7.620 -0.137 25284 3746 1 8 . 1 1 68 68 VAL N N 68 114.649 114.649 117.342 -2.693 25284 3747 1 8 . 1 1 68 68 VAL HA H 68 4.468 4.468 4.151 0.317 25284 3748 1 8 . 1 1 68 68 VAL C C 68 175.192 175.192 175.155 0.037 25284 3749 1 8 . 1 1 68 68 VAL CA C 68 61.819 61.819 61.516 0.303 25284 3750 1 8 . 1 1 68 68 VAL CB C 68 33.624 33.624 33.274 0.350 25284 3751 1 8 . 1 1 68 68 VAL H H 68 7.284 7.284 7.555 -0.271 25284 3752 1 8 . 1 1 69 69 ASP N N 69 120.972 120.972 118.202 2.770 25284 3753 1 8 . 1 1 69 69 ASP HA H 69 5.264 5.264 4.906 0.358 25284 3754 1 8 . 1 1 69 69 ASP C C 69 176.970 176.970 175.441 1.529 25284 3755 1 8 . 1 1 69 69 ASP CA C 69 55.811 55.811 55.657 0.154 25284 3756 1 8 . 1 1 69 69 ASP CB C 69 44.441 44.441 42.796 1.645 25284 3757 1 8 . 1 1 69 69 ASP H H 69 9.167 9.167 8.792 0.375 25284 3758 1 8 . 1 1 70 70 THR N N 70 108.311 108.311 111.175 -2.864 25284 3759 1 8 . 1 1 70 70 THR HA H 70 4.939 4.939 4.970 -0.031 25284 3760 1 8 . 1 1 70 70 THR CA C 70 57.823 57.823 58.745 -0.922 25284 3761 1 8 . 1 1 70 70 THR CB C 70 71.412 71.412 69.888 1.524 25284 3762 1 8 . 1 1 70 70 THR H H 70 7.477 7.477 7.689 -0.212 25284 3763 1 8 . 1 1 71 71 PRO HA H 71 4.235 4.235 4.244 -0.009 25284 3764 1 8 . 1 1 71 71 PRO C C 71 177.422 177.422 177.654 -0.232 25284 3765 1 8 . 1 1 71 71 PRO CA C 71 66.002 66.002 65.343 0.659 25284 3766 1 8 . 1 1 71 71 PRO CB C 71 32.686 32.686 31.548 1.138 25284 3767 1 8 . 1 1 72 72 ARG N N 72 117.972 117.972 116.823 1.149 25284 3768 1 8 . 1 1 72 72 ARG HA H 72 3.609 3.609 3.986 -0.377 25284 3769 1 8 . 1 1 72 72 ARG C C 72 177.616 177.616 177.965 -0.349 25284 3770 1 8 . 1 1 72 72 ARG CA C 72 60.243 60.243 59.443 0.800 25284 3771 1 8 . 1 1 72 72 ARG CB C 72 30.524 30.524 29.139 1.385 25284 3772 1 8 . 1 1 72 72 ARG H H 72 9.016 9.016 7.538 1.478 25284 3773 1 8 . 1 1 73 73 GLU N N 73 116.790 116.790 120.711 -3.921 25284 3774 1 8 . 1 1 73 73 GLU HA H 73 4.242 4.242 4.098 0.144 25284 3775 1 8 . 1 1 73 73 GLU C C 73 180.200 180.200 178.920 1.280 25284 3776 1 8 . 1 1 73 73 GLU CA C 73 59.226 59.226 58.769 0.457 25284 3777 1 8 . 1 1 73 73 GLU CB C 73 30.069 30.069 28.941 1.128 25284 3778 1 8 . 1 1 73 73 GLU H H 73 7.838 7.838 7.531 0.307 25284 3779 1 8 . 1 1 74 74 LEU N N 74 120.656 120.656 121.347 -0.691 25284 3780 1 8 . 1 1 74 74 LEU HA H 74 4.313 4.313 4.157 0.156 25284 3781 1 8 . 1 1 74 74 LEU C C 74 177.023 177.023 178.636 -1.613 25284 3782 1 8 . 1 1 74 74 LEU CA C 74 58.179 58.179 57.461 0.718 25284 3783 1 8 . 1 1 74 74 LEU CB C 74 42.292 42.292 41.583 0.709 25284 3784 1 8 . 1 1 74 74 LEU H H 74 7.703 7.703 7.517 0.186 25284 3785 1 8 . 1 1 75 75 LEU N N 75 121.434 121.434 120.179 1.255 25284 3786 1 8 . 1 1 75 75 LEU HA H 75 3.894 3.894 3.950 -0.056 25284 3787 1 8 . 1 1 75 75 LEU C C 75 178.169 178.169 178.371 -0.202 25284 3788 1 8 . 1 1 75 75 LEU CA C 75 58.562 58.562 58.238 0.324 25284 3789 1 8 . 1 1 75 75 LEU CB C 75 42.408 42.408 41.590 0.818 25284 3790 1 8 . 1 1 75 75 LEU H H 75 8.743 8.743 8.497 0.246 25284 3791 1 8 . 1 1 76 76 ASP N N 76 117.849 117.849 119.195 -1.346 25284 3792 1 8 . 1 1 76 76 ASP HA H 76 4.488 4.488 4.385 0.103 25284 3793 1 8 . 1 1 76 76 ASP C C 76 180.127 180.127 178.431 1.696 25284 3794 1 8 . 1 1 76 76 ASP CA C 76 57.487 57.487 57.398 0.089 25284 3795 1 8 . 1 1 76 76 ASP CB C 76 40.085 40.085 40.852 -0.767 25284 3796 1 8 . 1 1 76 76 ASP H H 76 8.711 8.711 8.076 0.635 25284 3797 1 8 . 1 1 77 77 LEU N N 77 123.252 123.252 120.511 2.741 25284 3798 1 8 . 1 1 77 77 LEU HA H 77 4.303 4.303 3.958 0.345 25284 3799 1 8 . 1 1 77 77 LEU C C 77 180.621 180.621 179.183 1.438 25284 3800 1 8 . 1 1 77 77 LEU CA C 77 58.439 58.439 58.026 0.413 25284 3801 1 8 . 1 1 77 77 LEU CB C 77 42.905 42.905 41.812 1.093 25284 3802 1 8 . 1 1 77 77 LEU H H 77 8.009 8.009 7.743 0.266 25284 3803 1 8 . 1 1 78 78 ILE N N 78 120.216 120.216 119.527 0.689 25284 3804 1 8 . 1 1 78 78 ILE HA H 78 3.750 3.750 3.598 0.152 25284 3805 1 8 . 1 1 78 78 ILE C C 78 177.713 177.713 178.099 -0.386 25284 3806 1 8 . 1 1 78 78 ILE CA C 78 64.757 64.757 63.607 1.150 25284 3807 1 8 . 1 1 78 78 ILE CB C 78 37.402 37.402 36.353 1.049 25284 3808 1 8 . 1 1 78 78 ILE H H 78 8.294 8.294 8.013 0.281 25284 3809 1 8 . 1 1 79 79 ASN N N 79 118.191 118.191 118.983 -0.792 25284 3810 1 8 . 1 1 79 79 ASN HA H 79 4.912 4.912 4.264 0.648 25284 3811 1 8 . 1 1 79 79 ASN C C 79 179.524 179.524 178.086 1.438 25284 3812 1 8 . 1 1 79 79 ASN CA C 79 55.473 55.473 56.364 -0.891 25284 3813 1 8 . 1 1 79 79 ASN CB C 79 37.331 37.331 38.191 -0.860 25284 3814 1 8 . 1 1 79 79 ASN H H 79 8.887 8.887 8.760 0.127 25284 3815 1 8 . 1 1 80 80 GLY N N 80 110.387 110.387 106.559 3.828 25284 3816 1 8 . 1 1 80 80 GLY C C 80 175.783 175.783 175.614 0.169 25284 3817 1 8 . 1 1 80 80 GLY CA C 80 47.166 47.166 46.665 0.501 25284 3818 1 8 . 1 1 80 80 GLY H H 80 8.436 8.436 8.327 0.109 25284 3819 1 8 . 1 1 81 81 ALA N N 81 124.420 124.420 124.662 -0.242 25284 3820 1 8 . 1 1 81 81 ALA HA H 81 4.460 4.460 4.308 0.152 25284 3821 1 8 . 1 1 81 81 ALA C C 81 179.892 179.892 179.667 0.225 25284 3822 1 8 . 1 1 81 81 ALA CA C 81 54.389 54.389 54.175 0.214 25284 3823 1 8 . 1 1 81 81 ALA CB C 81 18.824 18.824 18.685 0.139 25284 3824 1 8 . 1 1 81 81 ALA H H 81 7.606 7.606 7.929 -0.323 25284 3825 1 8 . 1 1 82 82 LEU N N 82 120.239 120.239 119.720 0.519 25284 3826 1 8 . 1 1 82 82 LEU HA H 82 4.214 4.214 4.130 0.084 25284 3827 1 8 . 1 1 82 82 LEU C C 82 178.884 178.884 178.355 0.529 25284 3828 1 8 . 1 1 82 82 LEU CA C 82 57.098 57.098 56.452 0.646 25284 3829 1 8 . 1 1 82 82 LEU CB C 82 42.739 42.739 41.605 1.134 25284 3830 1 8 . 1 1 82 82 LEU H H 82 8.285 8.285 8.631 -0.346 25284 3831 1 8 . 1 1 83 83 ALA N N 83 121.614 121.614 121.521 0.093 25284 3832 1 8 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.113 0.186 25284 3833 1 8 . 1 1 83 83 ALA C C 83 178.788 178.788 178.522 0.266 25284 3834 1 8 . 1 1 83 83 ALA CA C 83 54.049 54.049 54.408 -0.359 25284 3835 1 8 . 1 1 83 83 ALA CB C 83 18.944 18.944 18.424 0.520 25284 3836 1 8 . 1 1 83 83 ALA H H 83 7.973 7.973 7.562 0.411 25284 3837 1 8 . 1 1 84 84 GLU N N 84 117.412 117.412 116.916 0.496 25284 3838 1 8 . 1 1 84 84 GLU HA H 84 4.385 4.385 4.364 0.021 25284 3839 1 8 . 1 1 84 84 GLU C C 84 176.406 176.406 176.714 -0.308 25284 3840 1 8 . 1 1 84 84 GLU CA C 84 56.872 56.872 56.802 0.070 25284 3841 1 8 . 1 1 84 84 GLU CB C 84 29.773 29.773 30.207 -0.434 25284 3842 1 8 . 1 1 84 84 GLU H H 84 7.753 7.753 7.758 -0.005 25284 3843 1 8 . 1 1 85 85 ALA N N 85 124.256 124.256 120.572 3.684 25284 3844 1 8 . 1 1 85 85 ALA HA H 85 4.471 4.471 4.517 -0.046 25284 3845 1 8 . 1 1 85 85 ALA C C 85 176.625 176.625 176.989 -0.364 25284 3846 1 8 . 1 1 85 85 ALA CA C 85 52.679 52.679 51.883 0.796 25284 3847 1 8 . 1 1 85 85 ALA CB C 85 19.702 19.702 19.930 -0.228 25284 3848 1 8 . 1 1 85 85 ALA H H 85 7.832 7.832 7.759 0.073 25284 3849 1 9 . 1 1 2 2 ALA HA H 2 4.279 4.279 4.724 -0.445 25284 3850 1 9 . 1 1 2 2 ALA C C 2 173.785 173.785 177.421 -3.636 25284 3851 1 9 . 1 1 2 2 ALA CA C 2 52.136 52.136 52.192 -0.056 25284 3852 1 9 . 1 1 2 2 ALA CB C 2 20.083 20.083 20.258 -0.175 25284 3853 1 9 . 1 1 3 3 THR N N 3 117.799 117.799 121.082 -3.283 25284 3854 1 9 . 1 1 3 3 THR HA H 3 4.398 4.398 4.387 0.011 25284 3855 1 9 . 1 1 3 3 THR C C 3 172.979 172.979 173.644 -0.665 25284 3856 1 9 . 1 1 3 3 THR CA C 3 62.907 62.907 62.975 -0.068 25284 3857 1 9 . 1 1 3 3 THR CB C 3 70.082 70.082 68.154 1.928 25284 3858 1 9 . 1 1 3 3 THR H H 3 8.703 8.703 8.671 0.032 25284 3859 1 9 . 1 1 4 4 LEU N N 4 124.656 124.656 123.481 1.175 25284 3860 1 9 . 1 1 4 4 LEU HA H 4 4.373 4.373 4.543 -0.170 25284 3861 1 9 . 1 1 4 4 LEU C C 4 177.215 177.215 174.841 2.374 25284 3862 1 9 . 1 1 4 4 LEU CA C 4 54.852 54.852 52.939 1.913 25284 3863 1 9 . 1 1 4 4 LEU CB C 4 42.864 42.864 45.794 -2.930 25284 3864 1 9 . 1 1 4 4 LEU H H 4 8.155 8.155 7.603 0.552 25284 3865 1 9 . 1 1 5 5 LEU N N 5 124.772 124.772 122.128 2.644 25284 3866 1 9 . 1 1 5 5 LEU HA H 5 4.530 4.530 4.593 -0.063 25284 3867 1 9 . 1 1 5 5 LEU C C 5 177.915 177.915 176.294 1.621 25284 3868 1 9 . 1 1 5 5 LEU CA C 5 55.564 55.564 54.322 1.242 25284 3869 1 9 . 1 1 5 5 LEU CB C 5 42.806 42.806 42.005 0.800 25284 3870 1 9 . 1 1 5 5 LEU H H 5 9.421 9.421 8.611 0.810 25284 3871 1 9 . 1 1 6 6 THR N N 6 115.077 115.077 114.833 0.244 25284 3872 1 9 . 1 1 6 6 THR HA H 6 4.745 4.745 4.750 -0.005 25284 3873 1 9 . 1 1 6 6 THR C C 6 175.958 175.958 175.556 0.402 25284 3874 1 9 . 1 1 6 6 THR CA C 6 60.159 60.159 60.137 0.022 25284 3875 1 9 . 1 1 6 6 THR CB C 6 72.442 72.442 71.079 1.363 25284 3876 1 9 . 1 1 6 6 THR H H 6 9.006 9.006 9.264 -0.258 25284 3877 1 9 . 1 1 7 7 THR N N 7 115.895 115.895 114.784 1.111 25284 3878 1 9 . 1 1 7 7 THR HA H 7 3.867 3.867 4.003 -0.136 25284 3879 1 9 . 1 1 7 7 THR C C 7 176.622 176.622 176.128 0.494 25284 3880 1 9 . 1 1 7 7 THR CA C 7 67.331 67.331 67.420 -0.089 25284 3881 1 9 . 1 1 7 7 THR CB C 7 68.496 68.496 68.504 -0.008 25284 3882 1 9 . 1 1 7 7 THR H H 7 8.864 8.864 8.484 0.380 25284 3883 1 9 . 1 1 8 8 ASP N N 8 120.253 120.253 119.739 0.514 25284 3884 1 9 . 1 1 8 8 ASP HA H 8 4.629 4.629 4.444 0.185 25284 3885 1 9 . 1 1 8 8 ASP C C 8 178.593 178.593 177.313 1.280 25284 3886 1 9 . 1 1 8 8 ASP CA C 8 57.740 57.740 57.041 0.699 25284 3887 1 9 . 1 1 8 8 ASP CB C 8 41.273 41.273 40.204 1.069 25284 3888 1 9 . 1 1 8 8 ASP H H 8 8.289 8.289 8.641 -0.352 25284 3889 1 9 . 1 1 9 9 ASP N N 9 120.653 120.653 121.400 -0.747 25284 3890 1 9 . 1 1 9 9 ASP HA H 9 4.560 4.560 4.385 0.175 25284 3891 1 9 . 1 1 9 9 ASP C C 9 179.465 179.465 178.446 1.019 25284 3892 1 9 . 1 1 9 9 ASP CA C 9 57.608 57.608 57.258 0.350 25284 3893 1 9 . 1 1 9 9 ASP CB C 9 41.559 41.559 40.861 0.698 25284 3894 1 9 . 1 1 9 9 ASP H H 9 7.916 7.916 7.645 0.271 25284 3895 1 9 . 1 1 10 10 LEU N N 10 121.585 121.585 121.028 0.557 25284 3896 1 9 . 1 1 10 10 LEU HA H 10 4.216 4.216 4.124 0.092 25284 3897 1 9 . 1 1 10 10 LEU C C 10 177.517 177.517 178.300 -0.783 25284 3898 1 9 . 1 1 10 10 LEU CA C 10 58.031 58.031 57.431 0.600 25284 3899 1 9 . 1 1 10 10 LEU CB C 10 42.146 42.146 42.112 0.034 25284 3900 1 9 . 1 1 10 10 LEU H H 10 8.086 8.086 7.938 0.148 25284 3901 1 9 . 1 1 11 11 ARG N N 11 120.099 120.099 119.060 1.039 25284 3902 1 9 . 1 1 11 11 ARG HA H 11 3.514 3.514 3.685 -0.171 25284 3903 1 9 . 1 1 11 11 ARG C C 11 177.769 177.769 178.311 -0.542 25284 3904 1 9 . 1 1 11 11 ARG CA C 11 60.715 60.715 59.711 1.004 25284 3905 1 9 . 1 1 11 11 ARG CB C 11 30.775 30.775 29.809 0.966 25284 3906 1 9 . 1 1 11 11 ARG H H 11 8.852 8.852 8.154 0.698 25284 3907 1 9 . 1 1 12 12 ARG N N 12 115.840 115.840 118.165 -2.325 25284 3908 1 9 . 1 1 12 12 ARG HA H 12 4.032 4.032 3.982 0.050 25284 3909 1 9 . 1 1 12 12 ARG C C 12 178.492 178.492 178.395 0.097 25284 3910 1 9 . 1 1 12 12 ARG CA C 12 59.592 59.592 59.324 0.268 25284 3911 1 9 . 1 1 12 12 ARG CB C 12 30.583 30.583 29.771 0.812 25284 3912 1 9 . 1 1 12 12 ARG H H 12 7.996 7.996 7.767 0.229 25284 3913 1 9 . 1 1 13 13 ALA N N 13 120.184 120.184 122.708 -2.524 25284 3914 1 9 . 1 1 13 13 ALA HA H 13 4.401 4.401 4.418 -0.017 25284 3915 1 9 . 1 1 13 13 ALA C C 13 180.114 180.114 179.817 0.297 25284 3916 1 9 . 1 1 13 13 ALA CA C 13 54.938 54.938 54.674 0.264 25284 3917 1 9 . 1 1 13 13 ALA CB C 13 18.756 18.756 18.569 0.187 25284 3918 1 9 . 1 1 13 13 ALA H H 13 7.705 7.705 7.730 -0.025 25284 3919 1 9 . 1 1 14 14 LEU N N 14 119.427 119.427 119.092 0.335 25284 3920 1 9 . 1 1 14 14 LEU HA H 14 4.424 4.424 4.210 0.214 25284 3921 1 9 . 1 1 14 14 LEU C C 14 179.766 179.766 179.426 0.340 25284 3922 1 9 . 1 1 14 14 LEU CA C 14 57.568 57.568 57.634 -0.066 25284 3923 1 9 . 1 1 14 14 LEU CB C 14 42.039 42.039 40.863 1.176 25284 3924 1 9 . 1 1 14 14 LEU H H 14 8.424 8.424 7.701 0.723 25284 3925 1 9 . 1 1 15 15 VAL N N 15 121.004 121.004 119.308 1.696 25284 3926 1 9 . 1 1 15 15 VAL HA H 15 3.920 3.920 3.614 0.306 25284 3927 1 9 . 1 1 15 15 VAL C C 15 179.014 179.014 177.395 1.619 25284 3928 1 9 . 1 1 15 15 VAL CA C 15 66.259 66.259 66.670 -0.411 25284 3929 1 9 . 1 1 15 15 VAL CB C 15 32.137 32.137 31.602 0.535 25284 3930 1 9 . 1 1 15 15 VAL H H 15 8.519 8.519 8.346 0.173 25284 3931 1 9 . 1 1 16 16 GLU N N 16 119.984 119.984 117.164 2.820 25284 3932 1 9 . 1 1 16 16 GLU HA H 16 4.206 4.206 3.990 0.216 25284 3933 1 9 . 1 1 16 16 GLU C C 16 178.547 178.547 177.629 0.918 25284 3934 1 9 . 1 1 16 16 GLU CA C 16 59.042 59.042 58.813 0.229 25284 3935 1 9 . 1 1 16 16 GLU CB C 16 29.692 29.692 29.758 -0.066 25284 3936 1 9 . 1 1 16 16 GLU H H 16 8.218 8.218 7.918 0.300 25284 3937 1 9 . 1 1 17 17 SER N N 17 113.928 113.928 114.316 -0.388 25284 3938 1 9 . 1 1 17 17 SER HA H 17 4.577 4.577 4.281 0.296 25284 3939 1 9 . 1 1 17 17 SER C C 17 174.273 174.273 175.097 -0.824 25284 3940 1 9 . 1 1 17 17 SER CA C 17 59.940 59.940 60.318 -0.378 25284 3941 1 9 . 1 1 17 17 SER CB C 17 64.378 64.378 63.553 0.825 25284 3942 1 9 . 1 1 17 17 SER H H 17 7.798 7.798 7.740 0.058 25284 3943 1 9 . 1 1 18 18 ALA N N 18 123.357 123.357 123.245 0.112 25284 3944 1 9 . 1 1 18 18 ALA HA H 18 4.347 4.347 4.382 -0.035 25284 3945 1 9 . 1 1 18 18 ALA C C 18 178.292 178.292 177.153 1.139 25284 3946 1 9 . 1 1 18 18 ALA CA C 18 52.991 52.991 51.687 1.304 25284 3947 1 9 . 1 1 18 18 ALA CB C 18 19.965 19.965 17.866 2.099 25284 3948 1 9 . 1 1 18 18 ALA H H 18 7.813 7.813 7.921 -0.108 25284 3949 1 9 . 1 1 19 19 GLY N N 19 107.711 107.711 110.877 -3.166 25284 3950 1 9 . 1 1 19 19 GLY C C 19 174.440 174.440 174.056 0.384 25284 3951 1 9 . 1 1 19 19 GLY CA C 19 45.650 45.650 45.518 0.132 25284 3952 1 9 . 1 1 19 19 GLY H H 19 8.256 8.256 7.862 0.394 25284 3953 1 9 . 1 1 20 20 GLU N N 20 120.763 120.763 120.183 0.580 25284 3954 1 9 . 1 1 20 20 GLU HA H 20 4.477 4.477 4.615 -0.138 25284 3955 1 9 . 1 1 20 20 GLU C C 20 176.905 176.905 175.689 1.216 25284 3956 1 9 . 1 1 20 20 GLU CA C 20 56.896 56.896 55.340 1.556 25284 3957 1 9 . 1 1 20 20 GLU CB C 20 30.160 30.160 28.517 1.643 25284 3958 1 9 . 1 1 20 20 GLU H H 20 8.508 8.508 8.369 0.139 25284 3959 1 9 . 1 1 21 21 THR N N 21 114.316 114.316 115.686 -1.370 25284 3960 1 9 . 1 1 21 21 THR HA H 21 4.529 4.529 4.435 0.094 25284 3961 1 9 . 1 1 21 21 THR C C 21 174.564 174.564 173.470 1.094 25284 3962 1 9 . 1 1 21 21 THR CA C 21 61.942 61.942 61.362 0.580 25284 3963 1 9 . 1 1 21 21 THR CB C 21 70.323 70.323 70.453 -0.130 25284 3964 1 9 . 1 1 21 21 THR H H 21 8.258 8.258 7.876 0.382 25284 3965 1 9 . 1 1 22 22 ASP N N 22 122.479 122.479 123.302 -0.823 25284 3966 1 9 . 1 1 22 22 ASP HA H 22 4.728 4.728 4.825 -0.097 25284 3967 1 9 . 1 1 22 22 ASP C C 22 176.913 176.913 176.506 0.407 25284 3968 1 9 . 1 1 22 22 ASP CA C 22 54.806 54.806 53.544 1.262 25284 3969 1 9 . 1 1 22 22 ASP CB C 22 41.144 41.144 41.329 -0.185 25284 3970 1 9 . 1 1 22 22 ASP H H 22 8.506 8.506 8.669 -0.163 25284 3971 1 9 . 1 1 23 23 GLY N N 23 109.608 109.608 114.323 -4.715 25284 3972 1 9 . 1 1 23 23 GLY C C 23 174.806 174.806 174.507 0.299 25284 3973 1 9 . 1 1 23 23 GLY CA C 23 45.969 45.969 45.070 0.899 25284 3974 1 9 . 1 1 23 23 GLY H H 23 8.503 8.503 8.476 0.027 25284 3975 1 9 . 1 1 24 24 THR N N 24 116.205 116.205 116.001 0.204 25284 3976 1 9 . 1 1 24 24 THR HA H 24 4.333 4.333 4.322 0.011 25284 3977 1 9 . 1 1 24 24 THR C C 24 174.247 174.247 174.133 0.114 25284 3978 1 9 . 1 1 24 24 THR CA C 24 63.240 63.240 61.494 1.746 25284 3979 1 9 . 1 1 24 24 THR CB C 24 70.056 70.056 70.175 -0.119 25284 3980 1 9 . 1 1 24 24 THR H H 24 8.152 8.152 7.851 0.301 25284 3981 1 9 . 1 1 25 25 ASP N N 25 124.096 124.096 121.915 2.181 25284 3982 1 9 . 1 1 25 25 ASP HA H 25 4.718 4.718 4.751 -0.033 25284 3983 1 9 . 1 1 25 25 ASP C C 25 176.223 176.223 176.415 -0.192 25284 3984 1 9 . 1 1 25 25 ASP CA C 25 54.536 54.536 53.385 1.151 25284 3985 1 9 . 1 1 25 25 ASP CB C 25 41.163 41.163 41.373 -0.210 25284 3986 1 9 . 1 1 25 25 ASP H H 25 8.620 8.620 8.482 0.138 25284 3987 1 9 . 1 1 26 26 LEU N N 26 123.934 123.934 127.929 -3.995 25284 3988 1 9 . 1 1 26 26 LEU HA H 26 4.365 4.365 4.393 -0.028 25284 3989 1 9 . 1 1 26 26 LEU C C 26 176.356 176.356 175.972 0.384 25284 3990 1 9 . 1 1 26 26 LEU CA C 26 54.374 54.374 53.859 0.515 25284 3991 1 9 . 1 1 26 26 LEU CB C 26 41.235 41.235 40.948 0.287 25284 3992 1 9 . 1 1 26 26 LEU H H 26 8.482 8.482 8.613 -0.131 25284 3993 1 9 . 1 1 27 27 SER N N 27 115.330 115.330 115.789 -0.459 25284 3994 1 9 . 1 1 27 27 SER HA H 27 4.300 4.300 4.438 -0.138 25284 3995 1 9 . 1 1 27 27 SER C C 27 175.077 175.077 175.796 -0.719 25284 3996 1 9 . 1 1 27 27 SER CA C 27 59.917 59.917 58.462 1.455 25284 3997 1 9 . 1 1 27 27 SER CB C 27 64.229 64.229 62.915 1.314 25284 3998 1 9 . 1 1 27 27 SER H H 27 8.214 8.214 7.694 0.520 25284 3999 1 9 . 1 1 28 28 GLY N N 28 111.630 111.630 118.000 -6.370 25284 4000 1 9 . 1 1 28 28 GLY C C 28 174.303 174.303 175.561 -1.258 25284 4001 1 9 . 1 1 28 28 GLY CA C 28 45.500 45.500 46.670 -1.170 25284 4002 1 9 . 1 1 28 28 GLY H H 28 8.592 8.592 8.860 -0.268 25284 4003 1 9 . 1 1 29 29 ASP N N 29 123.552 123.552 124.377 -0.825 25284 4004 1 9 . 1 1 29 29 ASP HA H 29 4.851 4.851 4.366 0.485 25284 4005 1 9 . 1 1 29 29 ASP C C 29 176.494 176.494 178.436 -1.942 25284 4006 1 9 . 1 1 29 29 ASP CA C 29 54.312 54.312 56.545 -2.233 25284 4007 1 9 . 1 1 29 29 ASP CB C 29 39.771 39.771 40.862 -1.091 25284 4008 1 9 . 1 1 29 29 ASP H H 29 8.690 8.690 8.480 0.210 25284 4009 1 9 . 1 1 30 30 PHE N N 30 122.578 122.578 117.155 5.423 25284 4010 1 9 . 1 1 30 30 PHE HA H 30 4.764 4.764 4.241 0.523 25284 4011 1 9 . 1 1 30 30 PHE C C 30 175.529 175.529 176.812 -1.283 25284 4012 1 9 . 1 1 30 30 PHE CA C 30 57.493 57.493 59.005 -1.512 25284 4013 1 9 . 1 1 30 30 PHE CB C 30 40.639 40.639 37.696 2.943 25284 4014 1 9 . 1 1 30 30 PHE H H 30 8.076 8.076 8.041 0.035 25284 4015 1 9 . 1 1 31 31 LEU N N 31 119.188 119.188 120.675 -1.487 25284 4016 1 9 . 1 1 31 31 LEU HA H 31 3.302 3.302 3.263 0.039 25284 4017 1 9 . 1 1 31 31 LEU C C 31 176.503 176.503 176.403 0.100 25284 4018 1 9 . 1 1 31 31 LEU CA C 31 57.940 57.940 57.204 0.736 25284 4019 1 9 . 1 1 31 31 LEU CB C 31 42.218 42.218 41.655 0.563 25284 4020 1 9 . 1 1 31 31 LEU H H 31 7.535 7.535 7.458 0.077 25284 4021 1 9 . 1 1 32 32 ASP N N 32 112.101 112.101 113.048 -0.947 25284 4022 1 9 . 1 1 32 32 ASP HA H 32 5.047 5.047 4.487 0.560 25284 4023 1 9 . 1 1 32 32 ASP C C 32 176.064 176.064 174.699 1.365 25284 4024 1 9 . 1 1 32 32 ASP CA C 32 53.755 53.755 52.847 0.908 25284 4025 1 9 . 1 1 32 32 ASP CB C 32 41.824 41.824 41.532 0.292 25284 4026 1 9 . 1 1 32 32 ASP H H 32 8.087 8.087 7.550 0.537 25284 4027 1 9 . 1 1 33 33 LEU N N 33 122.380 122.380 120.802 1.578 25284 4028 1 9 . 1 1 33 33 LEU HA H 33 4.309 4.309 4.456 -0.147 25284 4029 1 9 . 1 1 33 33 LEU C C 33 174.879 174.879 174.754 0.125 25284 4030 1 9 . 1 1 33 33 LEU CA C 33 54.566 54.566 54.145 0.421 25284 4031 1 9 . 1 1 33 33 LEU CB C 33 42.528 42.528 44.025 -1.497 25284 4032 1 9 . 1 1 33 33 LEU H H 33 7.222 7.222 7.216 0.006 25284 4033 1 9 . 1 1 34 34 ARG N N 34 116.439 116.439 120.900 -4.461 25284 4034 1 9 . 1 1 34 34 ARG HA H 34 4.725 4.725 4.781 -0.056 25284 4035 1 9 . 1 1 34 34 ARG C C 34 179.778 179.778 177.916 1.862 25284 4036 1 9 . 1 1 34 34 ARG CA C 34 55.536 55.536 54.728 0.808 25284 4037 1 9 . 1 1 34 34 ARG CB C 34 30.173 30.173 31.087 -0.914 25284 4038 1 9 . 1 1 34 34 ARG H H 34 8.487 8.487 8.284 0.203 25284 4039 1 9 . 1 1 35 35 PHE N N 35 123.548 123.548 120.869 2.679 25284 4040 1 9 . 1 1 35 35 PHE HA H 35 4.385 4.385 4.139 0.246 25284 4041 1 9 . 1 1 35 35 PHE C C 35 178.776 178.776 177.493 1.283 25284 4042 1 9 . 1 1 35 35 PHE CA C 35 63.121 63.121 62.499 0.622 25284 4043 1 9 . 1 1 35 35 PHE CB C 35 37.967 37.967 38.572 -0.605 25284 4044 1 9 . 1 1 35 35 PHE H H 35 8.455 8.455 8.095 0.360 25284 4045 1 9 . 1 1 36 36 GLU N N 36 117.380 117.380 119.954 -2.574 25284 4046 1 9 . 1 1 36 36 GLU HA H 36 4.358 4.358 4.033 0.325 25284 4047 1 9 . 1 1 36 36 GLU C C 36 178.612 178.612 178.972 -0.360 25284 4048 1 9 . 1 1 36 36 GLU CA C 36 59.145 59.145 60.178 -1.033 25284 4049 1 9 . 1 1 36 36 GLU CB C 36 29.301 29.301 29.194 0.107 25284 4050 1 9 . 1 1 36 36 GLU H H 36 9.560 9.560 8.686 0.874 25284 4051 1 9 . 1 1 37 37 ASP N N 37 118.596 118.596 118.831 -0.235 25284 4052 1 9 . 1 1 37 37 ASP HA H 37 4.810 4.810 4.426 0.384 25284 4053 1 9 . 1 1 37 37 ASP C C 37 177.993 177.993 177.776 0.217 25284 4054 1 9 . 1 1 37 37 ASP CA C 37 56.474 56.474 56.974 -0.500 25284 4055 1 9 . 1 1 37 37 ASP CB C 37 41.411 41.411 40.648 0.763 25284 4056 1 9 . 1 1 37 37 ASP H H 37 7.546 7.546 8.442 -0.896 25284 4057 1 9 . 1 1 38 38 ILE N N 38 113.080 113.080 112.486 0.594 25284 4058 1 9 . 1 1 38 38 ILE HA H 38 4.663 4.663 4.524 0.139 25284 4059 1 9 . 1 1 38 38 ILE C C 38 176.140 176.140 176.340 -0.200 25284 4060 1 9 . 1 1 38 38 ILE CA C 38 62.038 62.038 60.736 1.302 25284 4061 1 9 . 1 1 38 38 ILE CB C 38 38.755 38.755 36.936 1.819 25284 4062 1 9 . 1 1 38 38 ILE H H 38 7.725 7.725 7.303 0.422 25284 4063 1 9 . 1 1 39 39 GLY N N 39 107.376 107.376 108.416 -1.040 25284 4064 1 9 . 1 1 39 39 GLY C C 39 174.497 174.497 174.649 -0.152 25284 4065 1 9 . 1 1 39 39 GLY CA C 39 46.580 46.580 46.126 0.454 25284 4066 1 9 . 1 1 39 39 GLY H H 39 7.736 7.736 7.713 0.023 25284 4067 1 9 . 1 1 40 40 TYR N N 40 121.883 121.883 120.861 1.022 25284 4068 1 9 . 1 1 40 40 TYR HA H 40 4.583 4.583 4.470 0.113 25284 4069 1 9 . 1 1 40 40 TYR C C 40 174.479 174.479 175.922 -1.443 25284 4070 1 9 . 1 1 40 40 TYR CA C 40 58.153 58.153 58.492 -0.339 25284 4071 1 9 . 1 1 40 40 TYR CB C 40 40.535 40.535 38.336 2.199 25284 4072 1 9 . 1 1 40 40 TYR H H 40 8.059 8.059 8.310 -0.251 25284 4073 1 9 . 1 1 41 41 ASP N N 41 124.021 124.021 125.097 -1.076 25284 4074 1 9 . 1 1 41 41 ASP HA H 41 4.739 4.739 4.617 0.122 25284 4075 1 9 . 1 1 41 41 ASP C C 41 175.831 175.831 177.074 -1.243 25284 4076 1 9 . 1 1 41 41 ASP CA C 41 52.669 52.669 54.711 -2.042 25284 4077 1 9 . 1 1 41 41 ASP CB C 41 42.015 42.015 42.045 -0.030 25284 4078 1 9 . 1 1 41 41 ASP H H 41 7.992 7.992 8.276 -0.284 25284 4079 1 9 . 1 1 42 42 SER N N 42 114.198 114.198 116.105 -1.907 25284 4080 1 9 . 1 1 42 42 SER HA H 42 4.272 4.272 4.227 0.045 25284 4081 1 9 . 1 1 42 42 SER C C 42 176.102 176.102 176.536 -0.434 25284 4082 1 9 . 1 1 42 42 SER CA C 42 60.657 60.657 61.398 -0.741 25284 4083 1 9 . 1 1 42 42 SER CB C 42 66.110 66.110 62.985 3.125 25284 4084 1 9 . 1 1 43 43 LEU N N 43 124.254 124.254 120.349 3.905 25284 4085 1 9 . 1 1 43 43 LEU HA H 43 4.269 4.269 4.073 0.196 25284 4086 1 9 . 1 1 43 43 LEU C C 43 179.140 179.140 178.644 0.496 25284 4087 1 9 . 1 1 43 43 LEU CA C 43 58.567 58.567 57.397 1.170 25284 4088 1 9 . 1 1 43 43 LEU CB C 43 41.178 41.178 40.982 0.196 25284 4089 1 9 . 1 1 43 43 LEU H H 43 7.792 7.792 8.076 -0.284 25284 4090 1 9 . 1 1 44 44 ALA N N 44 123.473 123.473 121.718 1.755 25284 4091 1 9 . 1 1 44 44 ALA HA H 44 4.318 4.318 4.114 0.204 25284 4092 1 9 . 1 1 44 44 ALA C C 44 181.903 181.903 179.856 2.047 25284 4093 1 9 . 1 1 44 44 ALA CA C 44 55.068 55.068 54.800 0.269 25284 4094 1 9 . 1 1 44 44 ALA CB C 44 18.556 18.556 17.849 0.707 25284 4095 1 9 . 1 1 44 44 ALA H H 44 8.140 8.140 8.035 0.105 25284 4096 1 9 . 1 1 45 45 LEU N N 45 121.524 121.524 120.176 1.348 25284 4097 1 9 . 1 1 45 45 LEU HA H 45 3.898 3.898 4.191 -0.293 25284 4098 1 9 . 1 1 45 45 LEU C C 45 179.040 179.040 178.148 0.892 25284 4099 1 9 . 1 1 45 45 LEU CA C 45 58.475 58.475 57.164 1.311 25284 4100 1 9 . 1 1 45 45 LEU CB C 45 41.780 41.780 41.317 0.463 25284 4101 1 9 . 1 1 45 45 LEU H H 45 8.442 8.442 7.652 0.790 25284 4102 1 9 . 1 1 46 46 MET N N 46 119.769 119.769 118.828 0.941 25284 4103 1 9 . 1 1 46 46 MET HA H 46 4.265 4.265 3.936 0.329 25284 4104 1 9 . 1 1 46 46 MET C C 46 180.609 180.609 178.365 2.244 25284 4105 1 9 . 1 1 46 46 MET CA C 46 58.853 58.853 60.039 -1.186 25284 4106 1 9 . 1 1 46 46 MET CB C 46 32.119 32.119 31.908 0.211 25284 4107 1 9 . 1 1 46 46 MET H H 46 8.234 8.234 7.625 0.609 25284 4108 1 9 . 1 1 47 47 GLU N N 47 121.097 121.097 119.812 1.285 25284 4109 1 9 . 1 1 47 47 GLU HA H 47 4.228 4.228 3.933 0.295 25284 4110 1 9 . 1 1 47 47 GLU C C 47 179.333 179.333 179.270 0.063 25284 4111 1 9 . 1 1 47 47 GLU CA C 47 59.644 59.644 59.642 0.002 25284 4112 1 9 . 1 1 47 47 GLU CB C 47 28.977 28.977 29.429 -0.452 25284 4113 1 9 . 1 1 47 47 GLU H H 47 8.517 8.517 8.360 0.157 25284 4114 1 9 . 1 1 48 48 THR N N 48 118.834 118.834 116.623 2.211 25284 4115 1 9 . 1 1 48 48 THR HA H 48 3.961 3.961 3.991 -0.030 25284 4116 1 9 . 1 1 48 48 THR C C 48 176.348 176.348 176.396 -0.048 25284 4117 1 9 . 1 1 48 48 THR CA C 48 67.842 67.842 66.843 0.999 25284 4118 1 9 . 1 1 48 48 THR CB C 48 68.056 68.056 68.895 -0.840 25284 4119 1 9 . 1 1 48 48 THR H H 48 8.325 8.325 7.983 0.342 25284 4120 1 9 . 1 1 49 49 ALA N N 49 123.924 123.924 123.388 0.536 25284 4121 1 9 . 1 1 49 49 ALA HA H 49 3.926 3.926 4.073 -0.147 25284 4122 1 9 . 1 1 49 49 ALA C C 49 178.608 178.608 179.280 -0.672 25284 4123 1 9 . 1 1 49 49 ALA CA C 49 56.247 56.247 55.094 1.153 25284 4124 1 9 . 1 1 49 49 ALA CB C 49 17.569 17.569 18.147 -0.578 25284 4125 1 9 . 1 1 49 49 ALA H H 49 8.747 8.747 8.296 0.451 25284 4126 1 9 . 1 1 50 50 ALA N N 50 119.691 119.691 121.492 -1.801 25284 4127 1 9 . 1 1 50 50 ALA HA H 50 4.269 4.269 4.334 -0.065 25284 4128 1 9 . 1 1 50 50 ALA C C 50 181.310 181.310 179.336 1.974 25284 4129 1 9 . 1 1 50 50 ALA CA C 50 55.422 55.422 54.680 0.742 25284 4130 1 9 . 1 1 50 50 ALA CB C 50 18.171 18.171 18.428 -0.257 25284 4131 1 9 . 1 1 50 50 ALA H H 50 8.245 8.245 8.584 -0.339 25284 4132 1 9 . 1 1 51 51 ARG N N 51 119.913 119.913 119.437 0.476 25284 4133 1 9 . 1 1 51 51 ARG HA H 51 4.247 4.247 4.046 0.201 25284 4134 1 9 . 1 1 51 51 ARG C C 51 179.808 179.808 178.566 1.242 25284 4135 1 9 . 1 1 51 51 ARG CA C 51 59.673 59.673 58.693 0.980 25284 4136 1 9 . 1 1 51 51 ARG CB C 51 30.539 30.539 29.773 0.766 25284 4137 1 9 . 1 1 51 51 ARG H H 51 8.129 8.129 7.676 0.453 25284 4138 1 9 . 1 1 52 52 LEU N N 52 120.624 120.624 119.393 1.231 25284 4139 1 9 . 1 1 52 52 LEU HA H 52 4.319 4.319 4.105 0.214 25284 4140 1 9 . 1 1 52 52 LEU C C 52 179.192 179.192 179.215 -0.023 25284 4141 1 9 . 1 1 52 52 LEU CA C 52 58.253 58.253 58.110 0.143 25284 4142 1 9 . 1 1 52 52 LEU CB C 52 42.812 42.812 41.647 1.165 25284 4143 1 9 . 1 1 52 52 LEU H H 52 8.423 8.423 7.795 0.628 25284 4144 1 9 . 1 1 53 53 GLU N N 53 119.779 119.779 119.635 0.144 25284 4145 1 9 . 1 1 53 53 GLU HA H 53 4.108 4.108 3.996 0.112 25284 4146 1 9 . 1 1 53 53 GLU C C 53 179.388 179.388 179.590 -0.202 25284 4147 1 9 . 1 1 53 53 GLU CA C 53 60.211 60.211 59.734 0.477 25284 4148 1 9 . 1 1 53 53 GLU CB C 53 29.143 29.143 29.392 -0.249 25284 4149 1 9 . 1 1 53 53 GLU H H 53 8.974 8.974 8.627 0.347 25284 4150 1 9 . 1 1 54 54 SER N N 54 113.169 113.169 114.285 -1.116 25284 4151 1 9 . 1 1 54 54 SER HA H 54 4.384 4.384 4.231 0.153 25284 4152 1 9 . 1 1 54 54 SER C C 54 176.953 176.953 175.794 1.159 25284 4153 1 9 . 1 1 54 54 SER CA C 54 61.279 61.279 60.974 0.305 25284 4154 1 9 . 1 1 54 54 SER CB C 54 63.402 63.402 63.201 0.201 25284 4155 1 9 . 1 1 54 54 SER H H 54 8.037 8.037 8.177 -0.140 25284 4156 1 9 . 1 1 55 55 ARG N N 55 120.851 120.851 120.419 0.432 25284 4157 1 9 . 1 1 55 55 ARG HA H 55 4.100 4.100 3.971 0.129 25284 4158 1 9 . 1 1 55 55 ARG C C 55 177.905 177.905 178.148 -0.243 25284 4159 1 9 . 1 1 55 55 ARG CA C 55 58.949 58.949 58.441 0.508 25284 4160 1 9 . 1 1 55 55 ARG CB C 55 30.896 30.896 30.359 0.537 25284 4161 1 9 . 1 1 55 55 ARG H H 55 8.099 8.099 7.604 0.495 25284 4162 1 9 . 1 1 56 56 TYR N N 56 113.669 113.669 114.950 -1.281 25284 4163 1 9 . 1 1 56 56 TYR HA H 56 4.687 4.687 4.569 0.118 25284 4164 1 9 . 1 1 56 56 TYR C C 56 176.069 176.069 175.564 0.505 25284 4165 1 9 . 1 1 56 56 TYR CA C 56 59.055 59.055 57.896 1.159 25284 4166 1 9 . 1 1 56 56 TYR CB C 56 39.465 39.465 38.894 0.571 25284 4167 1 9 . 1 1 56 56 TYR H H 56 8.158 8.158 7.850 0.308 25284 4168 1 9 . 1 1 57 57 GLY N N 57 109.856 109.856 108.223 1.633 25284 4169 1 9 . 1 1 57 57 GLY C C 57 174.642 174.642 174.406 0.236 25284 4170 1 9 . 1 1 57 57 GLY CA C 57 47.476 47.476 45.204 2.272 25284 4171 1 9 . 1 1 57 57 GLY H H 57 7.982 7.982 7.906 0.076 25284 4172 1 9 . 1 1 58 58 VAL N N 58 112.572 112.572 113.831 -1.259 25284 4173 1 9 . 1 1 58 58 VAL HA H 58 4.676 4.676 4.555 0.121 25284 4174 1 9 . 1 1 58 58 VAL C C 58 174.069 174.069 174.440 -0.371 25284 4175 1 9 . 1 1 58 58 VAL CA C 58 59.313 59.313 59.489 -0.176 25284 4176 1 9 . 1 1 58 58 VAL CB C 58 34.744 34.744 34.346 0.397 25284 4177 1 9 . 1 1 58 58 VAL H H 58 7.497 7.497 7.518 -0.021 25284 4178 1 9 . 1 1 59 59 SER N N 59 117.179 117.179 115.451 1.728 25284 4179 1 9 . 1 1 59 59 SER HA H 59 4.846 4.846 4.971 -0.125 25284 4180 1 9 . 1 1 59 59 SER C C 59 173.699 173.699 173.343 0.356 25284 4181 1 9 . 1 1 59 59 SER CA C 59 57.401 57.401 58.119 -0.718 25284 4182 1 9 . 1 1 59 59 SER CB C 59 64.502 64.502 65.150 -0.648 25284 4183 1 9 . 1 1 59 59 SER H H 59 8.489 8.489 8.267 0.222 25284 4184 1 9 . 1 1 60 60 ILE N N 60 125.858 125.858 126.955 -1.097 25284 4185 1 9 . 1 1 60 60 ILE HA H 60 4.651 4.651 4.513 0.138 25284 4186 1 9 . 1 1 60 60 ILE CA C 60 57.694 57.694 57.542 0.152 25284 4187 1 9 . 1 1 60 60 ILE CB C 60 40.500 40.500 39.505 0.995 25284 4188 1 9 . 1 1 60 60 ILE H H 60 8.222 8.222 9.409 -1.187 25284 4189 1 9 . 1 1 61 61 PRO HA H 61 4.530 4.530 4.584 -0.054 25284 4190 1 9 . 1 1 61 61 PRO C C 61 177.512 177.512 177.533 -0.021 25284 4191 1 9 . 1 1 61 61 PRO CA C 61 63.561 63.561 62.283 1.278 25284 4192 1 9 . 1 1 61 61 PRO CB C 61 32.770 32.770 32.508 0.262 25284 4193 1 9 . 1 1 62 62 ASP N N 62 123.459 123.459 122.546 0.913 25284 4194 1 9 . 1 1 62 62 ASP HA H 62 4.449 4.449 4.144 0.305 25284 4195 1 9 . 1 1 62 62 ASP C C 62 177.284 177.284 177.795 -0.511 25284 4196 1 9 . 1 1 62 62 ASP CA C 62 57.112 57.112 57.566 -0.454 25284 4197 1 9 . 1 1 62 62 ASP CB C 62 40.740 40.740 40.601 0.139 25284 4198 1 9 . 1 1 62 62 ASP H H 62 8.831 8.831 8.676 0.155 25284 4199 1 9 . 1 1 63 63 ASP N N 63 116.794 116.794 119.957 -3.163 25284 4200 1 9 . 1 1 63 63 ASP HA H 63 4.529 4.529 4.361 0.168 25284 4201 1 9 . 1 1 63 63 ASP C C 63 177.294 177.294 178.741 -1.447 25284 4202 1 9 . 1 1 63 63 ASP CA C 63 54.956 54.956 57.030 -2.074 25284 4203 1 9 . 1 1 63 63 ASP CB C 63 39.687 39.687 40.816 -1.129 25284 4204 1 9 . 1 1 63 63 ASP H H 63 8.617 8.617 8.658 -0.041 25284 4205 1 9 . 1 1 64 64 VAL N N 64 119.209 119.209 120.521 -1.312 25284 4206 1 9 . 1 1 64 64 VAL HA H 64 3.812 3.812 3.817 -0.005 25284 4207 1 9 . 1 1 64 64 VAL C C 64 177.556 177.556 178.146 -0.590 25284 4208 1 9 . 1 1 64 64 VAL CA C 64 65.179 65.179 64.675 0.504 25284 4209 1 9 . 1 1 64 64 VAL CB C 64 32.413 32.413 31.721 0.692 25284 4210 1 9 . 1 1 64 64 VAL H H 64 7.407 7.407 7.295 0.112 25284 4211 1 9 . 1 1 65 65 ALA N N 65 122.418 122.418 122.698 -0.280 25284 4212 1 9 . 1 1 65 65 ALA HA H 65 3.987 3.987 4.085 -0.098 25284 4213 1 9 . 1 1 65 65 ALA C C 65 177.994 177.994 178.607 -0.613 25284 4214 1 9 . 1 1 65 65 ALA CA C 65 54.842 54.842 54.420 0.422 25284 4215 1 9 . 1 1 65 65 ALA CB C 65 18.522 18.522 18.224 0.298 25284 4216 1 9 . 1 1 65 65 ALA H H 65 8.246 8.246 7.897 0.349 25284 4217 1 9 . 1 1 66 66 GLY N N 66 100.378 100.378 103.863 -3.485 25284 4218 1 9 . 1 1 66 66 GLY C C 66 174.387 174.387 175.337 -0.950 25284 4219 1 9 . 1 1 66 66 GLY CA C 66 46.015 46.015 44.617 1.398 25284 4220 1 9 . 1 1 66 66 GLY H H 66 8.021 8.021 7.519 0.502 25284 4221 1 9 . 1 1 67 67 ARG N N 67 116.838 116.838 119.503 -2.665 25284 4222 1 9 . 1 1 67 67 ARG HA H 67 4.623 4.623 4.500 0.123 25284 4223 1 9 . 1 1 67 67 ARG C C 67 176.509 176.509 176.258 0.251 25284 4224 1 9 . 1 1 67 67 ARG CA C 67 55.883 55.883 54.937 0.946 25284 4225 1 9 . 1 1 67 67 ARG CB C 67 31.911 31.911 30.037 1.874 25284 4226 1 9 . 1 1 67 67 ARG H H 67 7.483 7.483 7.886 -0.403 25284 4227 1 9 . 1 1 68 68 VAL N N 68 114.649 114.649 116.391 -1.742 25284 4228 1 9 . 1 1 68 68 VAL HA H 68 4.468 4.468 4.186 0.282 25284 4229 1 9 . 1 1 68 68 VAL C C 68 175.192 175.192 175.721 -0.529 25284 4230 1 9 . 1 1 68 68 VAL CA C 68 61.819 61.819 60.925 0.894 25284 4231 1 9 . 1 1 68 68 VAL CB C 68 33.624 33.624 32.730 0.894 25284 4232 1 9 . 1 1 68 68 VAL H H 68 7.284 7.284 7.201 0.083 25284 4233 1 9 . 1 1 69 69 ASP N N 69 120.972 120.972 117.100 3.872 25284 4234 1 9 . 1 1 69 69 ASP HA H 69 5.264 5.264 4.860 0.404 25284 4235 1 9 . 1 1 69 69 ASP C C 69 176.970 176.970 174.758 2.212 25284 4236 1 9 . 1 1 69 69 ASP CA C 69 55.811 55.811 55.410 0.402 25284 4237 1 9 . 1 1 69 69 ASP CB C 69 44.441 44.441 42.308 2.133 25284 4238 1 9 . 1 1 69 69 ASP H H 69 9.167 9.167 8.612 0.555 25284 4239 1 9 . 1 1 70 70 THR N N 70 108.311 108.311 110.361 -2.050 25284 4240 1 9 . 1 1 70 70 THR HA H 70 4.939 4.939 5.027 -0.088 25284 4241 1 9 . 1 1 70 70 THR CA C 70 57.823 57.823 58.559 -0.736 25284 4242 1 9 . 1 1 70 70 THR CB C 70 71.412 71.412 69.849 1.563 25284 4243 1 9 . 1 1 70 70 THR H H 70 7.477 7.477 7.707 -0.230 25284 4244 1 9 . 1 1 71 71 PRO HA H 71 4.235 4.235 4.323 -0.088 25284 4245 1 9 . 1 1 71 71 PRO C C 71 177.422 177.422 177.615 -0.193 25284 4246 1 9 . 1 1 71 71 PRO CA C 71 66.002 66.002 65.760 0.242 25284 4247 1 9 . 1 1 71 71 PRO CB C 71 32.686 32.686 31.547 1.139 25284 4248 1 9 . 1 1 72 72 ARG N N 72 117.972 117.972 116.739 1.233 25284 4249 1 9 . 1 1 72 72 ARG HA H 72 3.609 3.609 4.033 -0.424 25284 4250 1 9 . 1 1 72 72 ARG C C 72 177.616 177.616 178.245 -0.629 25284 4251 1 9 . 1 1 72 72 ARG CA C 72 60.243 60.243 59.249 0.994 25284 4252 1 9 . 1 1 72 72 ARG CB C 72 30.524 30.524 29.311 1.213 25284 4253 1 9 . 1 1 72 72 ARG H H 72 9.016 9.016 7.685 1.331 25284 4254 1 9 . 1 1 73 73 GLU N N 73 116.790 116.790 120.127 -3.337 25284 4255 1 9 . 1 1 73 73 GLU HA H 73 4.242 4.242 4.139 0.103 25284 4256 1 9 . 1 1 73 73 GLU C C 73 180.200 180.200 178.797 1.403 25284 4257 1 9 . 1 1 73 73 GLU CA C 73 59.226 59.226 58.627 0.599 25284 4258 1 9 . 1 1 73 73 GLU CB C 73 30.069 30.069 29.023 1.046 25284 4259 1 9 . 1 1 73 73 GLU H H 73 7.838 7.838 7.859 -0.021 25284 4260 1 9 . 1 1 74 74 LEU N N 74 120.656 120.656 121.733 -1.077 25284 4261 1 9 . 1 1 74 74 LEU HA H 74 4.313 4.313 4.083 0.230 25284 4262 1 9 . 1 1 74 74 LEU C C 74 177.023 177.023 178.716 -1.693 25284 4263 1 9 . 1 1 74 74 LEU CA C 74 58.179 58.179 57.790 0.389 25284 4264 1 9 . 1 1 74 74 LEU CB C 74 42.292 42.292 42.177 0.115 25284 4265 1 9 . 1 1 74 74 LEU H H 74 7.703 7.703 7.414 0.289 25284 4266 1 9 . 1 1 75 75 LEU N N 75 121.434 121.434 119.636 1.798 25284 4267 1 9 . 1 1 75 75 LEU HA H 75 3.894 3.894 3.981 -0.087 25284 4268 1 9 . 1 1 75 75 LEU C C 75 178.169 178.169 177.822 0.347 25284 4269 1 9 . 1 1 75 75 LEU CA C 75 58.562 58.562 58.064 0.498 25284 4270 1 9 . 1 1 75 75 LEU CB C 75 42.408 42.408 41.550 0.858 25284 4271 1 9 . 1 1 75 75 LEU H H 75 8.743 8.743 8.565 0.178 25284 4272 1 9 . 1 1 76 76 ASP N N 76 117.849 117.849 119.151 -1.302 25284 4273 1 9 . 1 1 76 76 ASP HA H 76 4.488 4.488 4.334 0.154 25284 4274 1 9 . 1 1 76 76 ASP C C 76 180.127 180.127 178.518 1.609 25284 4275 1 9 . 1 1 76 76 ASP CA C 76 57.487 57.487 57.758 -0.271 25284 4276 1 9 . 1 1 76 76 ASP CB C 76 40.085 40.085 40.931 -0.846 25284 4277 1 9 . 1 1 76 76 ASP H H 76 8.711 8.711 7.893 0.818 25284 4278 1 9 . 1 1 77 77 LEU N N 77 123.252 123.252 120.439 2.813 25284 4279 1 9 . 1 1 77 77 LEU HA H 77 4.303 4.303 4.038 0.265 25284 4280 1 9 . 1 1 77 77 LEU C C 77 180.621 180.621 179.079 1.542 25284 4281 1 9 . 1 1 77 77 LEU CA C 77 58.439 58.439 57.800 0.639 25284 4282 1 9 . 1 1 77 77 LEU CB C 77 42.905 42.905 41.891 1.014 25284 4283 1 9 . 1 1 77 77 LEU H H 77 8.009 8.009 7.501 0.508 25284 4284 1 9 . 1 1 78 78 ILE N N 78 120.216 120.216 120.806 -0.590 25284 4285 1 9 . 1 1 78 78 ILE HA H 78 3.750 3.750 3.609 0.141 25284 4286 1 9 . 1 1 78 78 ILE C C 78 177.713 177.713 178.405 -0.692 25284 4287 1 9 . 1 1 78 78 ILE CA C 78 64.757 64.757 64.268 0.489 25284 4288 1 9 . 1 1 78 78 ILE CB C 78 37.402 37.402 36.376 1.026 25284 4289 1 9 . 1 1 78 78 ILE H H 78 8.294 8.294 8.286 0.008 25284 4290 1 9 . 1 1 79 79 ASN N N 79 118.191 118.191 118.338 -0.147 25284 4291 1 9 . 1 1 79 79 ASN HA H 79 4.912 4.912 4.437 0.475 25284 4292 1 9 . 1 1 79 79 ASN C C 79 179.524 179.524 178.186 1.338 25284 4293 1 9 . 1 1 79 79 ASN CA C 79 55.473 55.473 56.184 -0.711 25284 4294 1 9 . 1 1 79 79 ASN CB C 79 37.331 37.331 37.846 -0.515 25284 4295 1 9 . 1 1 79 79 ASN H H 79 8.887 8.887 8.652 0.235 25284 4296 1 9 . 1 1 80 80 GLY N N 80 110.387 110.387 108.045 2.342 25284 4297 1 9 . 1 1 80 80 GLY C C 80 175.783 175.783 175.542 0.241 25284 4298 1 9 . 1 1 80 80 GLY CA C 80 47.166 47.166 46.991 0.175 25284 4299 1 9 . 1 1 80 80 GLY H H 80 8.436 8.436 8.144 0.292 25284 4300 1 9 . 1 1 81 81 ALA N N 81 124.420 124.420 124.429 -0.009 25284 4301 1 9 . 1 1 81 81 ALA HA H 81 4.460 4.460 4.242 0.218 25284 4302 1 9 . 1 1 81 81 ALA C C 81 179.892 179.892 179.473 0.419 25284 4303 1 9 . 1 1 81 81 ALA CA C 81 54.389 54.389 53.865 0.524 25284 4304 1 9 . 1 1 81 81 ALA CB C 81 18.824 18.824 18.736 0.088 25284 4305 1 9 . 1 1 81 81 ALA H H 81 7.606 7.606 8.176 -0.570 25284 4306 1 9 . 1 1 82 82 LEU N N 82 120.239 120.239 120.265 -0.026 25284 4307 1 9 . 1 1 82 82 LEU HA H 82 4.214 4.214 4.146 0.068 25284 4308 1 9 . 1 1 82 82 LEU C C 82 178.884 178.884 177.762 1.122 25284 4309 1 9 . 1 1 82 82 LEU CA C 82 57.098 57.098 56.731 0.367 25284 4310 1 9 . 1 1 82 82 LEU CB C 82 42.739 42.739 41.916 0.823 25284 4311 1 9 . 1 1 82 82 LEU H H 82 8.285 8.285 8.062 0.223 25284 4312 1 9 . 1 1 83 83 ALA N N 83 121.614 121.614 120.586 1.028 25284 4313 1 9 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.114 0.185 25284 4314 1 9 . 1 1 83 83 ALA C C 83 178.788 178.788 178.506 0.282 25284 4315 1 9 . 1 1 83 83 ALA CA C 83 54.049 54.049 54.828 -0.779 25284 4316 1 9 . 1 1 83 83 ALA CB C 83 18.944 18.944 18.476 0.468 25284 4317 1 9 . 1 1 83 83 ALA H H 83 7.973 7.973 7.630 0.343 25284 4318 1 9 . 1 1 84 84 GLU N N 84 117.412 117.412 117.432 -0.020 25284 4319 1 9 . 1 1 84 84 GLU HA H 84 4.385 4.385 4.402 -0.017 25284 4320 1 9 . 1 1 84 84 GLU C C 84 176.406 176.406 176.320 0.086 25284 4321 1 9 . 1 1 84 84 GLU CA C 84 56.872 56.872 56.936 -0.064 25284 4322 1 9 . 1 1 84 84 GLU CB C 84 29.773 29.773 29.523 0.249 25284 4323 1 9 . 1 1 84 84 GLU H H 84 7.753 7.753 7.958 -0.205 25284 4324 1 9 . 1 1 85 85 ALA N N 85 124.256 124.256 120.788 3.468 25284 4325 1 9 . 1 1 85 85 ALA HA H 85 4.471 4.471 4.443 0.028 25284 4326 1 9 . 1 1 85 85 ALA C C 85 176.625 176.625 176.744 -0.119 25284 4327 1 9 . 1 1 85 85 ALA CA C 85 52.679 52.679 51.869 0.810 25284 4328 1 9 . 1 1 85 85 ALA CB C 85 19.702 19.702 19.877 -0.175 25284 4329 1 9 . 1 1 85 85 ALA H H 85 7.832 7.832 7.492 0.340 25284 4330 1 10 . 1 1 2 2 ALA HA H 2 4.279 4.279 4.730 -0.451 25284 4331 1 10 . 1 1 2 2 ALA C C 2 173.785 173.785 176.976 -3.191 25284 4332 1 10 . 1 1 2 2 ALA CA C 2 52.136 52.136 51.929 0.207 25284 4333 1 10 . 1 1 2 2 ALA CB C 2 20.083 20.083 18.958 1.125 25284 4334 1 10 . 1 1 3 3 THR N N 3 117.799 117.799 119.128 -1.329 25284 4335 1 10 . 1 1 3 3 THR HA H 3 4.398 4.398 4.403 -0.005 25284 4336 1 10 . 1 1 3 3 THR C C 3 172.979 172.979 173.702 -0.723 25284 4337 1 10 . 1 1 3 3 THR CA C 3 62.907 62.907 62.008 0.899 25284 4338 1 10 . 1 1 3 3 THR CB C 3 70.082 70.082 69.173 0.909 25284 4339 1 10 . 1 1 3 3 THR H H 3 8.703 8.703 8.584 0.119 25284 4340 1 10 . 1 1 4 4 LEU N N 4 124.656 124.656 122.707 1.949 25284 4341 1 10 . 1 1 4 4 LEU HA H 4 4.373 4.373 4.315 0.058 25284 4342 1 10 . 1 1 4 4 LEU C C 4 177.215 177.215 175.752 1.463 25284 4343 1 10 . 1 1 4 4 LEU CA C 4 54.852 54.852 53.408 1.444 25284 4344 1 10 . 1 1 4 4 LEU CB C 4 42.864 42.864 43.740 -0.876 25284 4345 1 10 . 1 1 4 4 LEU H H 4 8.155 8.155 7.644 0.511 25284 4346 1 10 . 1 1 5 5 LEU N N 5 124.772 124.772 125.244 -0.472 25284 4347 1 10 . 1 1 5 5 LEU HA H 5 4.530 4.530 4.296 0.234 25284 4348 1 10 . 1 1 5 5 LEU C C 5 177.915 177.915 176.501 1.414 25284 4349 1 10 . 1 1 5 5 LEU CA C 5 55.564 55.564 55.087 0.477 25284 4350 1 10 . 1 1 5 5 LEU CB C 5 42.806 42.806 42.736 0.070 25284 4351 1 10 . 1 1 5 5 LEU H H 5 9.421 9.421 9.113 0.308 25284 4352 1 10 . 1 1 6 6 THR N N 6 115.077 115.077 116.772 -1.695 25284 4353 1 10 . 1 1 6 6 THR HA H 6 4.745 4.745 4.489 0.256 25284 4354 1 10 . 1 1 6 6 THR C C 6 175.958 175.958 175.190 0.768 25284 4355 1 10 . 1 1 6 6 THR CA C 6 60.159 60.159 61.005 -0.846 25284 4356 1 10 . 1 1 6 6 THR CB C 6 72.442 72.442 70.365 2.077 25284 4357 1 10 . 1 1 6 6 THR H H 6 9.006 9.006 7.753 1.253 25284 4358 1 10 . 1 1 7 7 THR N N 7 115.895 115.895 114.938 0.957 25284 4359 1 10 . 1 1 7 7 THR HA H 7 3.867 3.867 4.267 -0.400 25284 4360 1 10 . 1 1 7 7 THR C C 7 176.622 176.622 176.526 0.096 25284 4361 1 10 . 1 1 7 7 THR CA C 7 67.331 67.331 66.242 1.089 25284 4362 1 10 . 1 1 7 7 THR CB C 7 68.496 68.496 68.770 -0.274 25284 4363 1 10 . 1 1 7 7 THR H H 7 8.864 8.864 8.364 0.500 25284 4364 1 10 . 1 1 8 8 ASP N N 8 120.253 120.253 121.671 -1.418 25284 4365 1 10 . 1 1 8 8 ASP HA H 8 4.629 4.629 4.473 0.156 25284 4366 1 10 . 1 1 8 8 ASP C C 8 178.593 178.593 178.281 0.312 25284 4367 1 10 . 1 1 8 8 ASP CA C 8 57.740 57.740 57.576 0.164 25284 4368 1 10 . 1 1 8 8 ASP CB C 8 41.273 41.273 40.823 0.450 25284 4369 1 10 . 1 1 8 8 ASP H H 8 8.289 8.289 8.352 -0.063 25284 4370 1 10 . 1 1 9 9 ASP N N 9 120.653 120.653 119.874 0.779 25284 4371 1 10 . 1 1 9 9 ASP HA H 9 4.560 4.560 4.447 0.113 25284 4372 1 10 . 1 1 9 9 ASP C C 9 179.465 179.465 178.742 0.723 25284 4373 1 10 . 1 1 9 9 ASP CA C 9 57.608 57.608 57.908 -0.300 25284 4374 1 10 . 1 1 9 9 ASP CB C 9 41.559 41.559 40.853 0.706 25284 4375 1 10 . 1 1 9 9 ASP H H 9 7.916 7.916 8.502 -0.586 25284 4376 1 10 . 1 1 10 10 LEU N N 10 121.585 121.585 121.020 0.565 25284 4377 1 10 . 1 1 10 10 LEU HA H 10 4.216 4.216 4.168 0.048 25284 4378 1 10 . 1 1 10 10 LEU C C 10 177.517 177.517 178.018 -0.501 25284 4379 1 10 . 1 1 10 10 LEU CA C 10 58.031 58.031 57.936 0.095 25284 4380 1 10 . 1 1 10 10 LEU CB C 10 42.146 42.146 42.052 0.094 25284 4381 1 10 . 1 1 10 10 LEU H H 10 8.086 8.086 7.503 0.583 25284 4382 1 10 . 1 1 11 11 ARG N N 11 120.099 120.099 119.653 0.446 25284 4383 1 10 . 1 1 11 11 ARG HA H 11 3.514 3.514 3.091 0.423 25284 4384 1 10 . 1 1 11 11 ARG C C 11 177.769 177.769 178.379 -0.610 25284 4385 1 10 . 1 1 11 11 ARG CA C 11 60.715 60.715 59.915 0.800 25284 4386 1 10 . 1 1 11 11 ARG CB C 11 30.775 30.775 29.814 0.961 25284 4387 1 10 . 1 1 11 11 ARG H H 11 8.852 8.852 8.539 0.313 25284 4388 1 10 . 1 1 12 12 ARG N N 12 115.840 115.840 118.558 -2.718 25284 4389 1 10 . 1 1 12 12 ARG HA H 12 4.032 4.032 3.967 0.065 25284 4390 1 10 . 1 1 12 12 ARG C C 12 178.492 178.492 178.619 -0.127 25284 4391 1 10 . 1 1 12 12 ARG CA C 12 59.592 59.592 59.185 0.407 25284 4392 1 10 . 1 1 12 12 ARG CB C 12 30.583 30.583 30.044 0.539 25284 4393 1 10 . 1 1 12 12 ARG H H 12 7.996 7.996 7.954 0.042 25284 4394 1 10 . 1 1 13 13 ALA N N 13 120.184 120.184 123.323 -3.139 25284 4395 1 10 . 1 1 13 13 ALA HA H 13 4.401 4.401 4.117 0.284 25284 4396 1 10 . 1 1 13 13 ALA C C 13 180.114 180.114 179.544 0.570 25284 4397 1 10 . 1 1 13 13 ALA CA C 13 54.938 54.938 55.208 -0.270 25284 4398 1 10 . 1 1 13 13 ALA CB C 13 18.756 18.756 18.656 0.100 25284 4399 1 10 . 1 1 13 13 ALA H H 13 7.705 7.705 8.477 -0.772 25284 4400 1 10 . 1 1 14 14 LEU N N 14 119.427 119.427 118.434 0.993 25284 4401 1 10 . 1 1 14 14 LEU HA H 14 4.424 4.424 4.208 0.216 25284 4402 1 10 . 1 1 14 14 LEU C C 14 179.766 179.766 178.282 1.484 25284 4403 1 10 . 1 1 14 14 LEU CA C 14 57.568 57.568 57.348 0.220 25284 4404 1 10 . 1 1 14 14 LEU CB C 14 42.039 42.039 42.033 0.006 25284 4405 1 10 . 1 1 14 14 LEU H H 14 8.424 8.424 8.224 0.200 25284 4406 1 10 . 1 1 15 15 VAL N N 15 121.004 121.004 118.406 2.598 25284 4407 1 10 . 1 1 15 15 VAL HA H 15 3.920 3.920 3.588 0.332 25284 4408 1 10 . 1 1 15 15 VAL C C 15 179.014 179.014 178.611 0.403 25284 4409 1 10 . 1 1 15 15 VAL CA C 15 66.259 66.259 66.304 -0.045 25284 4410 1 10 . 1 1 15 15 VAL CB C 15 32.137 32.137 31.751 0.386 25284 4411 1 10 . 1 1 15 15 VAL H H 15 8.519 8.519 7.714 0.805 25284 4412 1 10 . 1 1 16 16 GLU N N 16 119.984 119.984 120.266 -0.282 25284 4413 1 10 . 1 1 16 16 GLU HA H 16 4.206 4.206 4.069 0.137 25284 4414 1 10 . 1 1 16 16 GLU C C 16 178.547 178.547 179.033 -0.486 25284 4415 1 10 . 1 1 16 16 GLU CA C 16 59.042 59.042 59.297 -0.255 25284 4416 1 10 . 1 1 16 16 GLU CB C 16 29.692 29.692 29.317 0.375 25284 4417 1 10 . 1 1 16 16 GLU H H 16 8.218 8.218 8.670 -0.452 25284 4418 1 10 . 1 1 17 17 SER N N 17 113.928 113.928 114.393 -0.465 25284 4419 1 10 . 1 1 17 17 SER HA H 17 4.577 4.577 4.430 0.147 25284 4420 1 10 . 1 1 17 17 SER C C 17 174.273 174.273 173.627 0.646 25284 4421 1 10 . 1 1 17 17 SER CA C 17 59.940 59.940 58.759 1.181 25284 4422 1 10 . 1 1 17 17 SER CB C 17 64.378 64.378 63.560 0.818 25284 4423 1 10 . 1 1 17 17 SER H H 17 7.798 7.798 8.062 -0.264 25284 4424 1 10 . 1 1 18 18 ALA N N 18 123.357 123.357 125.178 -1.821 25284 4425 1 10 . 1 1 18 18 ALA HA H 18 4.347 4.347 4.418 -0.071 25284 4426 1 10 . 1 1 18 18 ALA C C 18 178.292 178.292 177.544 0.748 25284 4427 1 10 . 1 1 18 18 ALA CA C 18 52.991 52.991 52.369 0.622 25284 4428 1 10 . 1 1 18 18 ALA CB C 18 19.965 19.965 19.957 0.008 25284 4429 1 10 . 1 1 18 18 ALA H H 18 7.813 7.813 7.386 0.427 25284 4430 1 10 . 1 1 19 19 GLY N N 19 107.711 107.711 108.502 -0.791 25284 4431 1 10 . 1 1 19 19 GLY C C 19 174.440 174.440 174.284 0.156 25284 4432 1 10 . 1 1 19 19 GLY CA C 19 45.650 45.650 45.293 0.357 25284 4433 1 10 . 1 1 19 19 GLY H H 19 8.256 8.256 8.189 0.067 25284 4434 1 10 . 1 1 20 20 GLU N N 20 120.763 120.763 120.741 0.022 25284 4435 1 10 . 1 1 20 20 GLU HA H 20 4.477 4.477 4.537 -0.060 25284 4436 1 10 . 1 1 20 20 GLU C C 20 176.905 176.905 175.047 1.858 25284 4437 1 10 . 1 1 20 20 GLU CA C 20 56.896 56.896 56.550 0.346 25284 4438 1 10 . 1 1 20 20 GLU CB C 20 30.160 30.160 30.286 -0.126 25284 4439 1 10 . 1 1 20 20 GLU H H 20 8.508 8.508 8.085 0.423 25284 4440 1 10 . 1 1 21 21 THR N N 21 114.316 114.316 121.092 -6.776 25284 4441 1 10 . 1 1 21 21 THR HA H 21 4.529 4.529 4.521 0.008 25284 4442 1 10 . 1 1 21 21 THR C C 21 174.564 174.564 173.648 0.916 25284 4443 1 10 . 1 1 21 21 THR CA C 21 61.942 61.942 62.403 -0.461 25284 4444 1 10 . 1 1 21 21 THR CB C 21 70.323 70.323 69.180 1.143 25284 4445 1 10 . 1 1 21 21 THR H H 21 8.258 8.258 8.303 -0.045 25284 4446 1 10 . 1 1 22 22 ASP N N 22 122.479 122.479 124.318 -1.839 25284 4447 1 10 . 1 1 22 22 ASP HA H 22 4.728 4.728 4.238 0.490 25284 4448 1 10 . 1 1 22 22 ASP C C 22 176.913 176.913 176.946 -0.033 25284 4449 1 10 . 1 1 22 22 ASP CA C 22 54.806 54.806 55.523 -0.717 25284 4450 1 10 . 1 1 22 22 ASP CB C 22 41.144 41.144 40.356 0.788 25284 4451 1 10 . 1 1 22 22 ASP H H 22 8.506 8.506 8.603 -0.097 25284 4452 1 10 . 1 1 23 23 GLY N N 23 109.608 109.608 109.137 0.471 25284 4453 1 10 . 1 1 23 23 GLY C C 23 174.806 174.806 174.277 0.529 25284 4454 1 10 . 1 1 23 23 GLY CA C 23 45.969 45.969 45.499 0.470 25284 4455 1 10 . 1 1 23 23 GLY H H 23 8.503 8.503 8.174 0.330 25284 4456 1 10 . 1 1 24 24 THR N N 24 116.205 116.205 116.417 -0.212 25284 4457 1 10 . 1 1 24 24 THR HA H 24 4.333 4.333 3.956 0.377 25284 4458 1 10 . 1 1 24 24 THR C C 24 174.247 174.247 173.059 1.188 25284 4459 1 10 . 1 1 24 24 THR CA C 24 63.240 63.240 62.509 0.731 25284 4460 1 10 . 1 1 24 24 THR CB C 24 70.056 70.056 68.346 1.710 25284 4461 1 10 . 1 1 24 24 THR H H 24 8.152 8.152 8.215 -0.063 25284 4462 1 10 . 1 1 25 25 ASP N N 25 124.096 124.096 125.164 -1.068 25284 4463 1 10 . 1 1 25 25 ASP HA H 25 4.718 4.718 4.505 0.213 25284 4464 1 10 . 1 1 25 25 ASP C C 25 176.223 176.223 176.042 0.181 25284 4465 1 10 . 1 1 25 25 ASP CA C 25 54.536 54.536 54.964 -0.428 25284 4466 1 10 . 1 1 25 25 ASP CB C 25 41.163 41.163 41.048 0.114 25284 4467 1 10 . 1 1 25 25 ASP H H 25 8.620 8.620 8.493 0.127 25284 4468 1 10 . 1 1 26 26 LEU N N 26 123.934 123.934 125.357 -1.423 25284 4469 1 10 . 1 1 26 26 LEU HA H 26 4.365 4.365 4.505 -0.140 25284 4470 1 10 . 1 1 26 26 LEU C C 26 176.356 176.356 175.701 0.655 25284 4471 1 10 . 1 1 26 26 LEU CA C 26 54.374 54.374 54.273 0.101 25284 4472 1 10 . 1 1 26 26 LEU CB C 26 41.235 41.235 42.276 -1.040 25284 4473 1 10 . 1 1 26 26 LEU H H 26 8.482 8.482 8.264 0.218 25284 4474 1 10 . 1 1 27 27 SER N N 27 115.330 115.330 114.288 1.042 25284 4475 1 10 . 1 1 27 27 SER HA H 27 4.300 4.300 4.600 -0.300 25284 4476 1 10 . 1 1 27 27 SER C C 27 175.077 175.077 174.961 0.116 25284 4477 1 10 . 1 1 27 27 SER CA C 27 59.917 59.917 57.502 2.415 25284 4478 1 10 . 1 1 27 27 SER CB C 27 64.229 64.229 64.056 0.173 25284 4479 1 10 . 1 1 27 27 SER H H 27 8.214 8.214 7.505 0.709 25284 4480 1 10 . 1 1 28 28 GLY N N 28 111.630 111.630 115.066 -3.436 25284 4481 1 10 . 1 1 28 28 GLY C C 28 174.303 174.303 173.482 0.821 25284 4482 1 10 . 1 1 28 28 GLY CA C 28 45.500 45.500 45.094 0.406 25284 4483 1 10 . 1 1 28 28 GLY H H 28 8.592 8.592 8.700 -0.108 25284 4484 1 10 . 1 1 29 29 ASP N N 29 123.552 123.552 123.597 -0.045 25284 4485 1 10 . 1 1 29 29 ASP HA H 29 4.851 4.851 4.828 0.023 25284 4486 1 10 . 1 1 29 29 ASP C C 29 176.494 176.494 175.597 0.897 25284 4487 1 10 . 1 1 29 29 ASP CA C 29 54.312 54.312 53.446 0.867 25284 4488 1 10 . 1 1 29 29 ASP CB C 29 39.771 39.771 40.803 -1.032 25284 4489 1 10 . 1 1 29 29 ASP H H 29 8.690 8.690 8.505 0.185 25284 4490 1 10 . 1 1 30 30 PHE N N 30 122.578 122.578 122.589 -0.011 25284 4491 1 10 . 1 1 30 30 PHE HA H 30 4.764 4.764 4.690 0.074 25284 4492 1 10 . 1 1 30 30 PHE C C 30 175.529 175.529 174.751 0.778 25284 4493 1 10 . 1 1 30 30 PHE CA C 30 57.493 57.493 57.195 0.298 25284 4494 1 10 . 1 1 30 30 PHE CB C 30 40.639 40.639 39.646 0.993 25284 4495 1 10 . 1 1 30 30 PHE H H 30 8.076 8.076 8.056 0.020 25284 4496 1 10 . 1 1 31 31 LEU N N 31 119.188 119.188 120.780 -1.592 25284 4497 1 10 . 1 1 31 31 LEU HA H 31 3.302 3.302 3.549 -0.247 25284 4498 1 10 . 1 1 31 31 LEU C C 31 176.503 176.503 177.116 -0.613 25284 4499 1 10 . 1 1 31 31 LEU CA C 31 57.940 57.940 56.264 1.676 25284 4500 1 10 . 1 1 31 31 LEU CB C 31 42.218 42.218 42.272 -0.054 25284 4501 1 10 . 1 1 31 31 LEU H H 31 7.535 7.535 7.302 0.233 25284 4502 1 10 . 1 1 32 32 ASP N N 32 112.101 112.101 116.729 -4.628 25284 4503 1 10 . 1 1 32 32 ASP HA H 32 5.047 5.047 4.476 0.571 25284 4504 1 10 . 1 1 32 32 ASP C C 32 176.064 176.064 175.227 0.837 25284 4505 1 10 . 1 1 32 32 ASP CA C 32 53.755 53.755 54.444 -0.689 25284 4506 1 10 . 1 1 32 32 ASP CB C 32 41.824 41.824 41.281 0.543 25284 4507 1 10 . 1 1 32 32 ASP H H 32 8.087 8.087 7.953 0.134 25284 4508 1 10 . 1 1 33 33 LEU N N 33 122.380 122.380 118.825 3.555 25284 4509 1 10 . 1 1 33 33 LEU HA H 33 4.309 4.309 4.230 0.079 25284 4510 1 10 . 1 1 33 33 LEU C C 33 174.879 174.879 175.396 -0.517 25284 4511 1 10 . 1 1 33 33 LEU CA C 33 54.566 54.566 55.060 -0.494 25284 4512 1 10 . 1 1 33 33 LEU CB C 33 42.528 42.528 43.664 -1.137 25284 4513 1 10 . 1 1 33 33 LEU H H 33 7.222 7.222 7.414 -0.192 25284 4514 1 10 . 1 1 34 34 ARG N N 34 116.439 116.439 117.698 -1.259 25284 4515 1 10 . 1 1 34 34 ARG HA H 34 4.725 4.725 4.697 0.028 25284 4516 1 10 . 1 1 34 34 ARG C C 34 179.778 179.778 178.009 1.769 25284 4517 1 10 . 1 1 34 34 ARG CA C 34 55.536 55.536 54.722 0.813 25284 4518 1 10 . 1 1 34 34 ARG CB C 34 30.173 30.173 31.896 -1.723 25284 4519 1 10 . 1 1 34 34 ARG H H 34 8.487 8.487 8.050 0.437 25284 4520 1 10 . 1 1 35 35 PHE N N 35 123.548 123.548 120.516 3.032 25284 4521 1 10 . 1 1 35 35 PHE HA H 35 4.385 4.385 4.284 0.101 25284 4522 1 10 . 1 1 35 35 PHE C C 35 178.776 178.776 177.633 1.143 25284 4523 1 10 . 1 1 35 35 PHE CA C 35 63.121 63.121 62.434 0.687 25284 4524 1 10 . 1 1 35 35 PHE CB C 35 37.967 37.967 38.683 -0.716 25284 4525 1 10 . 1 1 35 35 PHE H H 35 8.455 8.455 8.400 0.055 25284 4526 1 10 . 1 1 36 36 GLU N N 36 117.380 117.380 118.077 -0.697 25284 4527 1 10 . 1 1 36 36 GLU HA H 36 4.358 4.358 4.025 0.333 25284 4528 1 10 . 1 1 36 36 GLU C C 36 178.612 178.612 177.747 0.865 25284 4529 1 10 . 1 1 36 36 GLU CA C 36 59.145 59.145 59.253 -0.108 25284 4530 1 10 . 1 1 36 36 GLU CB C 36 29.301 29.301 29.182 0.119 25284 4531 1 10 . 1 1 36 36 GLU H H 36 9.560 9.560 8.755 0.805 25284 4532 1 10 . 1 1 37 37 ASP N N 37 118.596 118.596 118.851 -0.255 25284 4533 1 10 . 1 1 37 37 ASP HA H 37 4.810 4.810 4.588 0.222 25284 4534 1 10 . 1 1 37 37 ASP C C 37 177.993 177.993 177.792 0.201 25284 4535 1 10 . 1 1 37 37 ASP CA C 37 56.474 56.474 55.824 0.650 25284 4536 1 10 . 1 1 37 37 ASP CB C 37 41.411 41.411 41.596 -0.185 25284 4537 1 10 . 1 1 37 37 ASP H H 37 7.546 7.546 7.541 0.005 25284 4538 1 10 . 1 1 38 38 ILE N N 38 113.080 113.080 113.162 -0.082 25284 4539 1 10 . 1 1 38 38 ILE HA H 38 4.663 4.663 4.518 0.145 25284 4540 1 10 . 1 1 38 38 ILE C C 38 176.140 176.140 176.124 0.016 25284 4541 1 10 . 1 1 38 38 ILE CA C 38 62.038 62.038 60.741 1.297 25284 4542 1 10 . 1 1 38 38 ILE CB C 38 38.755 38.755 37.256 1.499 25284 4543 1 10 . 1 1 38 38 ILE H H 38 7.725 7.725 7.483 0.242 25284 4544 1 10 . 1 1 39 39 GLY N N 39 107.376 107.376 108.611 -1.235 25284 4545 1 10 . 1 1 39 39 GLY C C 39 174.497 174.497 174.367 0.130 25284 4546 1 10 . 1 1 39 39 GLY CA C 39 46.580 46.580 46.033 0.547 25284 4547 1 10 . 1 1 39 39 GLY H H 39 7.736 7.736 7.718 0.018 25284 4548 1 10 . 1 1 40 40 TYR N N 40 121.883 121.883 120.219 1.664 25284 4549 1 10 . 1 1 40 40 TYR HA H 40 4.583 4.583 4.525 0.058 25284 4550 1 10 . 1 1 40 40 TYR C C 40 174.479 174.479 175.141 -0.662 25284 4551 1 10 . 1 1 40 40 TYR CA C 40 58.153 58.153 59.653 -1.500 25284 4552 1 10 . 1 1 40 40 TYR CB C 40 40.535 40.535 39.418 1.117 25284 4553 1 10 . 1 1 40 40 TYR H H 40 8.059 8.059 8.386 -0.327 25284 4554 1 10 . 1 1 41 41 ASP N N 41 124.021 124.021 122.596 1.425 25284 4555 1 10 . 1 1 41 41 ASP HA H 41 4.739 4.739 4.875 -0.136 25284 4556 1 10 . 1 1 41 41 ASP C C 41 175.831 175.831 177.252 -1.421 25284 4557 1 10 . 1 1 41 41 ASP CA C 41 52.669 52.669 52.623 0.046 25284 4558 1 10 . 1 1 41 41 ASP CB C 41 42.015 42.015 43.946 -1.931 25284 4559 1 10 . 1 1 41 41 ASP H H 41 7.992 7.992 8.251 -0.259 25284 4560 1 10 . 1 1 42 42 SER N N 42 114.198 114.198 116.010 -1.812 25284 4561 1 10 . 1 1 42 42 SER HA H 42 4.272 4.272 4.327 -0.055 25284 4562 1 10 . 1 1 42 42 SER C C 42 176.102 176.102 176.820 -0.718 25284 4563 1 10 . 1 1 42 42 SER CA C 42 60.657 60.657 60.834 -0.177 25284 4564 1 10 . 1 1 42 42 SER CB C 42 66.110 66.110 63.062 3.048 25284 4565 1 10 . 1 1 43 43 LEU N N 43 124.254 124.254 122.850 1.404 25284 4566 1 10 . 1 1 43 43 LEU HA H 43 4.269 4.269 4.094 0.175 25284 4567 1 10 . 1 1 43 43 LEU C C 43 179.140 179.140 178.715 0.425 25284 4568 1 10 . 1 1 43 43 LEU CA C 43 58.567 58.567 57.655 0.912 25284 4569 1 10 . 1 1 43 43 LEU CB C 43 41.178 41.178 41.149 0.029 25284 4570 1 10 . 1 1 43 43 LEU H H 43 7.792 7.792 7.958 -0.166 25284 4571 1 10 . 1 1 44 44 ALA N N 44 123.473 123.473 119.713 3.760 25284 4572 1 10 . 1 1 44 44 ALA HA H 44 4.318 4.318 4.134 0.184 25284 4573 1 10 . 1 1 44 44 ALA C C 44 181.903 181.903 179.835 2.068 25284 4574 1 10 . 1 1 44 44 ALA CA C 44 55.068 55.068 54.926 0.142 25284 4575 1 10 . 1 1 44 44 ALA CB C 44 18.556 18.556 18.239 0.317 25284 4576 1 10 . 1 1 44 44 ALA H H 44 8.140 8.140 8.445 -0.305 25284 4577 1 10 . 1 1 45 45 LEU N N 45 121.524 121.524 120.587 0.937 25284 4578 1 10 . 1 1 45 45 LEU HA H 45 3.898 3.898 4.245 -0.347 25284 4579 1 10 . 1 1 45 45 LEU C C 45 179.040 179.040 178.180 0.860 25284 4580 1 10 . 1 1 45 45 LEU CA C 45 58.475 58.475 57.038 1.437 25284 4581 1 10 . 1 1 45 45 LEU CB C 45 41.780 41.780 41.407 0.373 25284 4582 1 10 . 1 1 45 45 LEU H H 45 8.442 8.442 7.542 0.900 25284 4583 1 10 . 1 1 46 46 MET N N 46 119.769 119.769 119.309 0.460 25284 4584 1 10 . 1 1 46 46 MET HA H 46 4.265 4.265 3.914 0.351 25284 4585 1 10 . 1 1 46 46 MET C C 46 180.609 180.609 178.502 2.107 25284 4586 1 10 . 1 1 46 46 MET CA C 46 58.853 58.853 60.024 -1.171 25284 4587 1 10 . 1 1 46 46 MET CB C 46 32.119 32.119 31.849 0.270 25284 4588 1 10 . 1 1 46 46 MET H H 46 8.234 8.234 7.955 0.279 25284 4589 1 10 . 1 1 47 47 GLU N N 47 121.097 121.097 119.448 1.649 25284 4590 1 10 . 1 1 47 47 GLU HA H 47 4.228 4.228 4.063 0.165 25284 4591 1 10 . 1 1 47 47 GLU C C 47 179.333 179.333 179.355 -0.022 25284 4592 1 10 . 1 1 47 47 GLU CA C 47 59.644 59.644 59.603 0.041 25284 4593 1 10 . 1 1 47 47 GLU CB C 47 28.977 28.977 29.139 -0.162 25284 4594 1 10 . 1 1 47 47 GLU H H 47 8.517 8.517 8.264 0.253 25284 4595 1 10 . 1 1 48 48 THR N N 48 118.834 118.834 117.048 1.786 25284 4596 1 10 . 1 1 48 48 THR HA H 48 3.961 3.961 4.027 -0.066 25284 4597 1 10 . 1 1 48 48 THR C C 48 176.348 176.348 176.463 -0.115 25284 4598 1 10 . 1 1 48 48 THR CA C 48 67.842 67.842 67.036 0.806 25284 4599 1 10 . 1 1 48 48 THR CB C 48 68.056 68.056 68.623 -0.567 25284 4600 1 10 . 1 1 48 48 THR H H 48 8.325 8.325 8.185 0.140 25284 4601 1 10 . 1 1 49 49 ALA N N 49 123.924 123.924 122.901 1.023 25284 4602 1 10 . 1 1 49 49 ALA HA H 49 3.926 3.926 4.046 -0.120 25284 4603 1 10 . 1 1 49 49 ALA C C 49 178.608 178.608 179.334 -0.726 25284 4604 1 10 . 1 1 49 49 ALA CA C 49 56.247 56.247 55.138 1.109 25284 4605 1 10 . 1 1 49 49 ALA CB C 49 17.569 17.569 18.071 -0.502 25284 4606 1 10 . 1 1 49 49 ALA H H 49 8.747 8.747 8.374 0.373 25284 4607 1 10 . 1 1 50 50 ALA N N 50 119.691 119.691 120.958 -1.267 25284 4608 1 10 . 1 1 50 50 ALA HA H 50 4.269 4.269 3.920 0.349 25284 4609 1 10 . 1 1 50 50 ALA C C 50 181.310 181.310 179.161 2.149 25284 4610 1 10 . 1 1 50 50 ALA CA C 50 55.422 55.422 55.013 0.409 25284 4611 1 10 . 1 1 50 50 ALA CB C 50 18.171 18.171 18.173 -0.002 25284 4612 1 10 . 1 1 50 50 ALA H H 50 8.245 8.245 8.380 -0.135 25284 4613 1 10 . 1 1 51 51 ARG N N 51 119.913 119.913 119.145 0.768 25284 4614 1 10 . 1 1 51 51 ARG HA H 51 4.247 4.247 4.227 0.020 25284 4615 1 10 . 1 1 51 51 ARG C C 51 179.808 179.808 178.494 1.314 25284 4616 1 10 . 1 1 51 51 ARG CA C 51 59.673 59.673 58.174 1.499 25284 4617 1 10 . 1 1 51 51 ARG CB C 51 30.539 30.539 30.070 0.469 25284 4618 1 10 . 1 1 51 51 ARG H H 51 8.129 8.129 7.675 0.454 25284 4619 1 10 . 1 1 52 52 LEU N N 52 120.624 120.624 120.119 0.505 25284 4620 1 10 . 1 1 52 52 LEU HA H 52 4.319 4.319 4.076 0.243 25284 4621 1 10 . 1 1 52 52 LEU C C 52 179.192 179.192 178.572 0.620 25284 4622 1 10 . 1 1 52 52 LEU CA C 52 58.253 58.253 57.737 0.516 25284 4623 1 10 . 1 1 52 52 LEU CB C 52 42.812 42.812 41.965 0.847 25284 4624 1 10 . 1 1 52 52 LEU H H 52 8.423 8.423 7.900 0.523 25284 4625 1 10 . 1 1 53 53 GLU N N 53 119.779 119.779 119.870 -0.091 25284 4626 1 10 . 1 1 53 53 GLU HA H 53 4.108 4.108 3.962 0.146 25284 4627 1 10 . 1 1 53 53 GLU C C 53 179.388 179.388 179.478 -0.090 25284 4628 1 10 . 1 1 53 53 GLU CA C 53 60.211 60.211 59.987 0.224 25284 4629 1 10 . 1 1 53 53 GLU CB C 53 29.143 29.143 29.532 -0.389 25284 4630 1 10 . 1 1 53 53 GLU H H 53 8.974 8.974 8.860 0.114 25284 4631 1 10 . 1 1 54 54 SER N N 54 113.169 113.169 112.857 0.312 25284 4632 1 10 . 1 1 54 54 SER HA H 54 4.384 4.384 4.269 0.115 25284 4633 1 10 . 1 1 54 54 SER C C 54 176.953 176.953 175.552 1.401 25284 4634 1 10 . 1 1 54 54 SER CA C 54 61.279 61.279 61.343 -0.064 25284 4635 1 10 . 1 1 54 54 SER CB C 54 63.402 63.402 63.140 0.262 25284 4636 1 10 . 1 1 54 54 SER H H 54 8.037 8.037 8.034 0.003 25284 4637 1 10 . 1 1 55 55 ARG N N 55 120.851 120.851 121.114 -0.263 25284 4638 1 10 . 1 1 55 55 ARG HA H 55 4.100 4.100 4.081 0.019 25284 4639 1 10 . 1 1 55 55 ARG C C 55 177.905 177.905 177.589 0.316 25284 4640 1 10 . 1 1 55 55 ARG CA C 55 58.949 58.949 58.053 0.895 25284 4641 1 10 . 1 1 55 55 ARG CB C 55 30.896 30.896 30.660 0.236 25284 4642 1 10 . 1 1 55 55 ARG H H 55 8.099 8.099 7.408 0.691 25284 4643 1 10 . 1 1 56 56 TYR N N 56 113.669 113.669 115.749 -2.080 25284 4644 1 10 . 1 1 56 56 TYR HA H 56 4.687 4.687 4.626 0.061 25284 4645 1 10 . 1 1 56 56 TYR C C 56 176.069 176.069 176.281 -0.212 25284 4646 1 10 . 1 1 56 56 TYR CA C 56 59.055 59.055 58.606 0.449 25284 4647 1 10 . 1 1 56 56 TYR CB C 56 39.465 39.465 39.345 0.120 25284 4648 1 10 . 1 1 56 56 TYR H H 56 8.158 8.158 7.754 0.404 25284 4649 1 10 . 1 1 57 57 GLY N N 57 109.856 109.856 108.693 1.163 25284 4650 1 10 . 1 1 57 57 GLY C C 57 174.642 174.642 173.711 0.931 25284 4651 1 10 . 1 1 57 57 GLY CA C 57 47.476 47.476 44.905 2.571 25284 4652 1 10 . 1 1 57 57 GLY H H 57 7.982 7.982 8.322 -0.340 25284 4653 1 10 . 1 1 58 58 VAL N N 58 112.572 112.572 114.763 -2.191 25284 4654 1 10 . 1 1 58 58 VAL HA H 58 4.676 4.676 4.583 0.093 25284 4655 1 10 . 1 1 58 58 VAL C C 58 174.069 174.069 173.671 0.398 25284 4656 1 10 . 1 1 58 58 VAL CA C 58 59.313 59.313 59.442 -0.129 25284 4657 1 10 . 1 1 58 58 VAL CB C 58 34.744 34.744 34.566 0.178 25284 4658 1 10 . 1 1 58 58 VAL H H 58 7.497 7.497 7.574 -0.077 25284 4659 1 10 . 1 1 59 59 SER N N 59 117.179 117.179 114.289 2.890 25284 4660 1 10 . 1 1 59 59 SER HA H 59 4.846 4.846 5.040 -0.194 25284 4661 1 10 . 1 1 59 59 SER C C 59 173.699 173.699 173.187 0.512 25284 4662 1 10 . 1 1 59 59 SER CA C 59 57.401 57.401 57.950 -0.549 25284 4663 1 10 . 1 1 59 59 SER CB C 59 64.502 64.502 64.221 0.281 25284 4664 1 10 . 1 1 59 59 SER H H 59 8.489 8.489 8.179 0.310 25284 4665 1 10 . 1 1 60 60 ILE N N 60 125.858 125.858 126.912 -1.054 25284 4666 1 10 . 1 1 60 60 ILE HA H 60 4.651 4.651 4.548 0.103 25284 4667 1 10 . 1 1 60 60 ILE CA C 60 57.694 57.694 58.163 -0.469 25284 4668 1 10 . 1 1 60 60 ILE CB C 60 40.500 40.500 39.221 1.279 25284 4669 1 10 . 1 1 60 60 ILE H H 60 8.222 8.222 9.100 -0.878 25284 4670 1 10 . 1 1 61 61 PRO HA H 61 4.530 4.530 4.466 0.064 25284 4671 1 10 . 1 1 61 61 PRO C C 61 177.512 177.512 176.868 0.644 25284 4672 1 10 . 1 1 61 61 PRO CA C 61 63.561 63.561 62.578 0.983 25284 4673 1 10 . 1 1 61 61 PRO CB C 61 32.770 32.770 32.479 0.291 25284 4674 1 10 . 1 1 62 62 ASP N N 62 123.459 123.459 122.974 0.485 25284 4675 1 10 . 1 1 62 62 ASP HA H 62 4.449 4.449 4.194 0.255 25284 4676 1 10 . 1 1 62 62 ASP C C 62 177.284 177.284 178.403 -1.119 25284 4677 1 10 . 1 1 62 62 ASP CA C 62 57.112 57.112 58.378 -1.266 25284 4678 1 10 . 1 1 62 62 ASP CB C 62 40.740 40.740 40.684 0.056 25284 4679 1 10 . 1 1 62 62 ASP H H 62 8.831 8.831 8.745 0.086 25284 4680 1 10 . 1 1 63 63 ASP N N 63 116.794 116.794 118.341 -1.547 25284 4681 1 10 . 1 1 63 63 ASP HA H 63 4.529 4.529 4.359 0.170 25284 4682 1 10 . 1 1 63 63 ASP C C 63 177.294 177.294 177.552 -0.258 25284 4683 1 10 . 1 1 63 63 ASP CA C 63 54.956 54.956 56.836 -1.880 25284 4684 1 10 . 1 1 63 63 ASP CB C 63 39.687 39.687 40.771 -1.084 25284 4685 1 10 . 1 1 63 63 ASP H H 63 8.617 8.617 8.452 0.165 25284 4686 1 10 . 1 1 64 64 VAL N N 64 119.209 119.209 119.485 -0.276 25284 4687 1 10 . 1 1 64 64 VAL HA H 64 3.812 3.812 3.741 0.071 25284 4688 1 10 . 1 1 64 64 VAL C C 64 177.556 177.556 177.830 -0.274 25284 4689 1 10 . 1 1 64 64 VAL CA C 64 65.179 65.179 65.356 -0.177 25284 4690 1 10 . 1 1 64 64 VAL CB C 64 32.413 32.413 31.878 0.535 25284 4691 1 10 . 1 1 64 64 VAL H H 64 7.407 7.407 7.213 0.194 25284 4692 1 10 . 1 1 65 65 ALA N N 65 122.418 122.418 122.915 -0.497 25284 4693 1 10 . 1 1 65 65 ALA HA H 65 3.987 3.987 3.964 0.023 25284 4694 1 10 . 1 1 65 65 ALA C C 65 177.994 177.994 179.084 -1.090 25284 4695 1 10 . 1 1 65 65 ALA CA C 65 54.842 54.842 54.905 -0.063 25284 4696 1 10 . 1 1 65 65 ALA CB C 65 18.522 18.522 18.315 0.207 25284 4697 1 10 . 1 1 65 65 ALA H H 65 8.246 8.246 8.149 0.097 25284 4698 1 10 . 1 1 66 66 GLY N N 66 100.378 100.378 103.394 -3.016 25284 4699 1 10 . 1 1 66 66 GLY C C 66 174.387 174.387 174.820 -0.433 25284 4700 1 10 . 1 1 66 66 GLY CA C 66 46.015 46.015 45.200 0.815 25284 4701 1 10 . 1 1 66 66 GLY H H 66 8.021 8.021 7.888 0.133 25284 4702 1 10 . 1 1 67 67 ARG N N 67 116.838 116.838 118.835 -1.997 25284 4703 1 10 . 1 1 67 67 ARG HA H 67 4.623 4.623 4.515 0.108 25284 4704 1 10 . 1 1 67 67 ARG C C 67 176.509 176.509 176.455 0.054 25284 4705 1 10 . 1 1 67 67 ARG CA C 67 55.883 55.883 55.773 0.111 25284 4706 1 10 . 1 1 67 67 ARG CB C 67 31.911 31.911 31.371 0.540 25284 4707 1 10 . 1 1 67 67 ARG H H 67 7.483 7.483 7.690 -0.207 25284 4708 1 10 . 1 1 68 68 VAL N N 68 114.649 114.649 117.435 -2.786 25284 4709 1 10 . 1 1 68 68 VAL HA H 68 4.468 4.468 4.048 0.420 25284 4710 1 10 . 1 1 68 68 VAL C C 68 175.192 175.192 175.277 -0.085 25284 4711 1 10 . 1 1 68 68 VAL CA C 68 61.819 61.819 61.567 0.252 25284 4712 1 10 . 1 1 68 68 VAL CB C 68 33.624 33.624 32.785 0.840 25284 4713 1 10 . 1 1 68 68 VAL H H 68 7.284 7.284 7.381 -0.097 25284 4714 1 10 . 1 1 69 69 ASP N N 69 120.972 120.972 123.406 -2.434 25284 4715 1 10 . 1 1 69 69 ASP HA H 69 5.264 5.264 4.981 0.283 25284 4716 1 10 . 1 1 69 69 ASP C C 69 176.970 176.970 175.716 1.254 25284 4717 1 10 . 1 1 69 69 ASP CA C 69 55.811 55.811 55.892 -0.081 25284 4718 1 10 . 1 1 69 69 ASP CB C 69 44.441 44.441 43.517 0.924 25284 4719 1 10 . 1 1 69 69 ASP H H 69 9.167 9.167 8.937 0.230 25284 4720 1 10 . 1 1 70 70 THR N N 70 108.311 108.311 109.379 -1.068 25284 4721 1 10 . 1 1 70 70 THR HA H 70 4.939 4.939 5.160 -0.221 25284 4722 1 10 . 1 1 70 70 THR CA C 70 57.823 57.823 58.161 -0.338 25284 4723 1 10 . 1 1 70 70 THR CB C 70 71.412 71.412 70.673 0.739 25284 4724 1 10 . 1 1 70 70 THR H H 70 7.477 7.477 8.411 -0.934 25284 4725 1 10 . 1 1 71 71 PRO HA H 71 4.235 4.235 4.267 -0.032 25284 4726 1 10 . 1 1 71 71 PRO C C 71 177.422 177.422 177.737 -0.315 25284 4727 1 10 . 1 1 71 71 PRO CA C 71 66.002 66.002 65.559 0.443 25284 4728 1 10 . 1 1 71 71 PRO CB C 71 32.686 32.686 31.461 1.225 25284 4729 1 10 . 1 1 72 72 ARG N N 72 117.972 117.972 116.943 1.029 25284 4730 1 10 . 1 1 72 72 ARG HA H 72 3.609 3.609 3.962 -0.353 25284 4731 1 10 . 1 1 72 72 ARG C C 72 177.616 177.616 178.635 -1.019 25284 4732 1 10 . 1 1 72 72 ARG CA C 72 60.243 60.243 59.260 0.983 25284 4733 1 10 . 1 1 72 72 ARG CB C 72 30.524 30.524 29.170 1.354 25284 4734 1 10 . 1 1 72 72 ARG H H 72 9.016 9.016 7.795 1.221 25284 4735 1 10 . 1 1 73 73 GLU N N 73 116.790 116.790 120.343 -3.553 25284 4736 1 10 . 1 1 73 73 GLU HA H 73 4.242 4.242 4.124 0.118 25284 4737 1 10 . 1 1 73 73 GLU C C 73 180.200 180.200 178.804 1.396 25284 4738 1 10 . 1 1 73 73 GLU CA C 73 59.226 59.226 58.781 0.445 25284 4739 1 10 . 1 1 73 73 GLU CB C 73 30.069 30.069 29.445 0.624 25284 4740 1 10 . 1 1 73 73 GLU H H 73 7.838 7.838 7.905 -0.067 25284 4741 1 10 . 1 1 74 74 LEU N N 74 120.656 120.656 121.678 -1.022 25284 4742 1 10 . 1 1 74 74 LEU HA H 74 4.313 4.313 4.048 0.265 25284 4743 1 10 . 1 1 74 74 LEU C C 74 177.023 177.023 178.676 -1.653 25284 4744 1 10 . 1 1 74 74 LEU CA C 74 58.179 58.179 57.778 0.401 25284 4745 1 10 . 1 1 74 74 LEU CB C 74 42.292 42.292 42.225 0.067 25284 4746 1 10 . 1 1 74 74 LEU H H 74 7.703 7.703 7.417 0.286 25284 4747 1 10 . 1 1 75 75 LEU N N 75 121.434 121.434 119.527 1.907 25284 4748 1 10 . 1 1 75 75 LEU HA H 75 3.894 3.894 3.936 -0.042 25284 4749 1 10 . 1 1 75 75 LEU C C 75 178.169 178.169 177.806 0.363 25284 4750 1 10 . 1 1 75 75 LEU CA C 75 58.562 58.562 58.373 0.189 25284 4751 1 10 . 1 1 75 75 LEU CB C 75 42.408 42.408 41.573 0.835 25284 4752 1 10 . 1 1 75 75 LEU H H 75 8.743 8.743 8.611 0.132 25284 4753 1 10 . 1 1 76 76 ASP N N 76 117.849 117.849 118.723 -0.874 25284 4754 1 10 . 1 1 76 76 ASP HA H 76 4.488 4.488 4.325 0.163 25284 4755 1 10 . 1 1 76 76 ASP C C 76 180.127 180.127 178.447 1.680 25284 4756 1 10 . 1 1 76 76 ASP CA C 76 57.487 57.487 57.590 -0.103 25284 4757 1 10 . 1 1 76 76 ASP CB C 76 40.085 40.085 40.932 -0.847 25284 4758 1 10 . 1 1 76 76 ASP H H 76 8.711 8.711 7.668 1.043 25284 4759 1 10 . 1 1 77 77 LEU N N 77 123.252 123.252 120.774 2.478 25284 4760 1 10 . 1 1 77 77 LEU HA H 77 4.303 4.303 3.966 0.337 25284 4761 1 10 . 1 1 77 77 LEU C C 77 180.621 180.621 179.203 1.418 25284 4762 1 10 . 1 1 77 77 LEU CA C 77 58.439 58.439 57.912 0.527 25284 4763 1 10 . 1 1 77 77 LEU CB C 77 42.905 42.905 41.812 1.093 25284 4764 1 10 . 1 1 77 77 LEU H H 77 8.009 8.009 7.850 0.159 25284 4765 1 10 . 1 1 78 78 ILE N N 78 120.216 120.216 120.073 0.143 25284 4766 1 10 . 1 1 78 78 ILE HA H 78 3.750 3.750 3.589 0.161 25284 4767 1 10 . 1 1 78 78 ILE C C 78 177.713 177.713 178.224 -0.511 25284 4768 1 10 . 1 1 78 78 ILE CA C 78 64.757 64.757 64.327 0.430 25284 4769 1 10 . 1 1 78 78 ILE CB C 78 37.402 37.402 36.424 0.978 25284 4770 1 10 . 1 1 78 78 ILE H H 78 8.294 8.294 8.418 -0.124 25284 4771 1 10 . 1 1 79 79 ASN N N 79 118.191 118.191 118.455 -0.264 25284 4772 1 10 . 1 1 79 79 ASN HA H 79 4.912 4.912 4.319 0.593 25284 4773 1 10 . 1 1 79 79 ASN C C 79 179.524 179.524 178.158 1.366 25284 4774 1 10 . 1 1 79 79 ASN CA C 79 55.473 55.473 56.238 -0.765 25284 4775 1 10 . 1 1 79 79 ASN CB C 79 37.331 37.331 37.831 -0.500 25284 4776 1 10 . 1 1 79 79 ASN H H 79 8.887 8.887 8.326 0.561 25284 4777 1 10 . 1 1 80 80 GLY N N 80 110.387 110.387 107.381 3.006 25284 4778 1 10 . 1 1 80 80 GLY C C 80 175.783 175.783 174.667 1.116 25284 4779 1 10 . 1 1 80 80 GLY CA C 80 47.166 47.166 46.808 0.358 25284 4780 1 10 . 1 1 80 80 GLY H H 80 8.436 8.436 8.439 -0.003 25284 4781 1 10 . 1 1 81 81 ALA N N 81 124.420 124.420 123.082 1.338 25284 4782 1 10 . 1 1 81 81 ALA HA H 81 4.460 4.460 4.399 0.061 25284 4783 1 10 . 1 1 81 81 ALA C C 81 179.892 179.892 179.919 -0.027 25284 4784 1 10 . 1 1 81 81 ALA CA C 81 54.389 54.389 53.619 0.770 25284 4785 1 10 . 1 1 81 81 ALA CB C 81 18.824 18.824 18.941 -0.117 25284 4786 1 10 . 1 1 81 81 ALA H H 81 7.606 7.606 7.548 0.058 25284 4787 1 10 . 1 1 82 82 LEU N N 82 120.239 120.239 121.672 -1.433 25284 4788 1 10 . 1 1 82 82 LEU HA H 82 4.214 4.214 4.070 0.144 25284 4789 1 10 . 1 1 82 82 LEU C C 82 178.884 178.884 177.815 1.069 25284 4790 1 10 . 1 1 82 82 LEU CA C 82 57.098 57.098 57.123 -0.025 25284 4791 1 10 . 1 1 82 82 LEU CB C 82 42.739 42.739 41.773 0.966 25284 4792 1 10 . 1 1 82 82 LEU H H 82 8.285 8.285 8.376 -0.091 25284 4793 1 10 . 1 1 83 83 ALA N N 83 121.614 121.614 120.549 1.065 25284 4794 1 10 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.109 0.190 25284 4795 1 10 . 1 1 83 83 ALA C C 83 178.788 178.788 178.740 0.048 25284 4796 1 10 . 1 1 83 83 ALA CA C 83 54.049 54.049 54.477 -0.428 25284 4797 1 10 . 1 1 83 83 ALA CB C 83 18.944 18.944 18.414 0.530 25284 4798 1 10 . 1 1 83 83 ALA H H 83 7.973 7.973 8.042 -0.069 25284 4799 1 10 . 1 1 84 84 GLU N N 84 117.412 117.412 117.451 -0.039 25284 4800 1 10 . 1 1 84 84 GLU HA H 84 4.385 4.385 4.380 0.005 25284 4801 1 10 . 1 1 84 84 GLU C C 84 176.406 176.406 176.788 -0.382 25284 4802 1 10 . 1 1 84 84 GLU CA C 84 56.872 56.872 56.625 0.247 25284 4803 1 10 . 1 1 84 84 GLU CB C 84 29.773 29.773 30.031 -0.258 25284 4804 1 10 . 1 1 84 84 GLU H H 84 7.753 7.753 7.878 -0.125 25284 4805 1 10 . 1 1 85 85 ALA N N 85 124.256 124.256 120.920 3.336 25284 4806 1 10 . 1 1 85 85 ALA HA H 85 4.471 4.471 4.564 -0.093 25284 4807 1 10 . 1 1 85 85 ALA C C 85 176.625 176.625 176.486 0.139 25284 4808 1 10 . 1 1 85 85 ALA CA C 85 52.679 52.679 52.525 0.154 25284 4809 1 10 . 1 1 85 85 ALA CB C 85 19.702 19.702 20.890 -1.188 25284 4810 1 10 . 1 1 85 85 ALA H H 85 7.832 7.832 7.890 -0.058 25284 4811 1 11 . 1 1 2 2 ALA HA H 2 4.279 4.279 4.039 0.240 25284 4812 1 11 . 1 1 2 2 ALA C C 2 173.785 173.785 177.380 -3.595 25284 4813 1 11 . 1 1 2 2 ALA CA C 2 52.136 52.136 54.464 -2.328 25284 4814 1 11 . 1 1 2 2 ALA CB C 2 20.083 20.083 17.907 2.176 25284 4815 1 11 . 1 1 3 3 THR N N 3 117.799 117.799 114.609 3.190 25284 4816 1 11 . 1 1 3 3 THR HA H 3 4.398 4.398 4.451 -0.053 25284 4817 1 11 . 1 1 3 3 THR C C 3 172.979 172.979 172.942 0.037 25284 4818 1 11 . 1 1 3 3 THR CA C 3 62.907 62.907 62.354 0.553 25284 4819 1 11 . 1 1 3 3 THR CB C 3 70.082 70.082 69.438 0.644 25284 4820 1 11 . 1 1 3 3 THR H H 3 8.703 8.703 8.003 0.700 25284 4821 1 11 . 1 1 4 4 LEU N N 4 124.656 124.656 128.528 -3.872 25284 4822 1 11 . 1 1 4 4 LEU HA H 4 4.373 4.373 4.211 0.162 25284 4823 1 11 . 1 1 4 4 LEU C C 4 177.215 177.215 176.210 1.005 25284 4824 1 11 . 1 1 4 4 LEU CA C 4 54.852 54.852 55.051 -0.199 25284 4825 1 11 . 1 1 4 4 LEU CB C 4 42.864 42.864 42.363 0.501 25284 4826 1 11 . 1 1 4 4 LEU H H 4 8.155 8.155 8.212 -0.057 25284 4827 1 11 . 1 1 5 5 LEU N N 5 124.772 124.772 128.890 -4.118 25284 4828 1 11 . 1 1 5 5 LEU HA H 5 4.530 4.530 4.152 0.378 25284 4829 1 11 . 1 1 5 5 LEU C C 5 177.915 177.915 176.014 1.901 25284 4830 1 11 . 1 1 5 5 LEU CA C 5 55.564 55.564 55.009 0.555 25284 4831 1 11 . 1 1 5 5 LEU CB C 5 42.806 42.806 40.755 2.050 25284 4832 1 11 . 1 1 5 5 LEU H H 5 9.421 9.421 8.389 1.032 25284 4833 1 11 . 1 1 6 6 THR N N 6 115.077 115.077 116.115 -1.038 25284 4834 1 11 . 1 1 6 6 THR HA H 6 4.745 4.745 4.738 0.007 25284 4835 1 11 . 1 1 6 6 THR C C 6 175.958 175.958 175.306 0.652 25284 4836 1 11 . 1 1 6 6 THR CA C 6 60.159 60.159 60.196 -0.037 25284 4837 1 11 . 1 1 6 6 THR CB C 6 72.442 72.442 70.864 1.579 25284 4838 1 11 . 1 1 6 6 THR H H 6 9.006 9.006 8.737 0.269 25284 4839 1 11 . 1 1 7 7 THR N N 7 115.895 115.895 115.938 -0.043 25284 4840 1 11 . 1 1 7 7 THR HA H 7 3.867 3.867 3.919 -0.052 25284 4841 1 11 . 1 1 7 7 THR C C 7 176.622 176.622 176.696 -0.074 25284 4842 1 11 . 1 1 7 7 THR CA C 7 67.331 67.331 67.683 -0.352 25284 4843 1 11 . 1 1 7 7 THR CB C 7 68.496 68.496 68.320 0.176 25284 4844 1 11 . 1 1 7 7 THR H H 7 8.864 8.864 8.563 0.301 25284 4845 1 11 . 1 1 8 8 ASP N N 8 120.253 120.253 120.553 -0.300 25284 4846 1 11 . 1 1 8 8 ASP HA H 8 4.629 4.629 4.422 0.207 25284 4847 1 11 . 1 1 8 8 ASP C C 8 178.593 178.593 178.116 0.477 25284 4848 1 11 . 1 1 8 8 ASP CA C 8 57.740 57.740 57.880 -0.140 25284 4849 1 11 . 1 1 8 8 ASP CB C 8 41.273 41.273 40.554 0.719 25284 4850 1 11 . 1 1 8 8 ASP H H 8 8.289 8.289 8.775 -0.486 25284 4851 1 11 . 1 1 9 9 ASP N N 9 120.653 120.653 120.438 0.215 25284 4852 1 11 . 1 1 9 9 ASP HA H 9 4.560 4.560 4.375 0.185 25284 4853 1 11 . 1 1 9 9 ASP C C 9 179.465 179.465 178.624 0.841 25284 4854 1 11 . 1 1 9 9 ASP CA C 9 57.608 57.608 57.212 0.396 25284 4855 1 11 . 1 1 9 9 ASP CB C 9 41.559 41.559 40.666 0.893 25284 4856 1 11 . 1 1 9 9 ASP H H 9 7.916 7.916 8.153 -0.237 25284 4857 1 11 . 1 1 10 10 LEU N N 10 121.585 121.585 120.893 0.692 25284 4858 1 11 . 1 1 10 10 LEU HA H 10 4.216 4.216 4.059 0.157 25284 4859 1 11 . 1 1 10 10 LEU C C 10 177.517 177.517 178.167 -0.650 25284 4860 1 11 . 1 1 10 10 LEU CA C 10 58.031 58.031 57.847 0.184 25284 4861 1 11 . 1 1 10 10 LEU CB C 10 42.146 42.146 42.072 0.074 25284 4862 1 11 . 1 1 10 10 LEU H H 10 8.086 8.086 8.411 -0.325 25284 4863 1 11 . 1 1 11 11 ARG N N 11 120.099 120.099 119.130 0.969 25284 4864 1 11 . 1 1 11 11 ARG HA H 11 3.514 3.514 3.657 -0.143 25284 4865 1 11 . 1 1 11 11 ARG C C 11 177.769 177.769 178.405 -0.636 25284 4866 1 11 . 1 1 11 11 ARG CA C 11 60.715 60.715 59.730 0.985 25284 4867 1 11 . 1 1 11 11 ARG CB C 11 30.775 30.775 29.771 1.004 25284 4868 1 11 . 1 1 11 11 ARG H H 11 8.852 8.852 8.543 0.309 25284 4869 1 11 . 1 1 12 12 ARG N N 12 115.840 115.840 118.251 -2.411 25284 4870 1 11 . 1 1 12 12 ARG HA H 12 4.032 4.032 4.004 0.028 25284 4871 1 11 . 1 1 12 12 ARG C C 12 178.492 178.492 178.504 -0.012 25284 4872 1 11 . 1 1 12 12 ARG CA C 12 59.592 59.592 59.421 0.171 25284 4873 1 11 . 1 1 12 12 ARG CB C 12 30.583 30.583 29.844 0.739 25284 4874 1 11 . 1 1 12 12 ARG H H 12 7.996 7.996 7.812 0.184 25284 4875 1 11 . 1 1 13 13 ALA N N 13 120.184 120.184 122.139 -1.955 25284 4876 1 11 . 1 1 13 13 ALA HA H 13 4.401 4.401 4.337 0.064 25284 4877 1 11 . 1 1 13 13 ALA C C 13 180.114 180.114 179.684 0.430 25284 4878 1 11 . 1 1 13 13 ALA CA C 13 54.938 54.938 54.553 0.385 25284 4879 1 11 . 1 1 13 13 ALA CB C 13 18.756 18.756 18.475 0.281 25284 4880 1 11 . 1 1 13 13 ALA H H 13 7.705 7.705 7.570 0.135 25284 4881 1 11 . 1 1 14 14 LEU N N 14 119.427 119.427 119.478 -0.051 25284 4882 1 11 . 1 1 14 14 LEU HA H 14 4.424 4.424 4.190 0.234 25284 4883 1 11 . 1 1 14 14 LEU C C 14 179.766 179.766 178.257 1.509 25284 4884 1 11 . 1 1 14 14 LEU CA C 14 57.568 57.568 57.057 0.511 25284 4885 1 11 . 1 1 14 14 LEU CB C 14 42.039 42.039 41.979 0.060 25284 4886 1 11 . 1 1 14 14 LEU H H 14 8.424 8.424 8.457 -0.033 25284 4887 1 11 . 1 1 15 15 VAL N N 15 121.004 121.004 120.009 0.995 25284 4888 1 11 . 1 1 15 15 VAL HA H 15 3.920 3.920 3.613 0.307 25284 4889 1 11 . 1 1 15 15 VAL C C 15 179.014 179.014 178.429 0.585 25284 4890 1 11 . 1 1 15 15 VAL CA C 15 66.259 66.259 66.927 -0.668 25284 4891 1 11 . 1 1 15 15 VAL CB C 15 32.137 32.137 31.608 0.529 25284 4892 1 11 . 1 1 15 15 VAL H H 15 8.519 8.519 8.077 0.442 25284 4893 1 11 . 1 1 16 16 GLU N N 16 119.984 119.984 119.874 0.110 25284 4894 1 11 . 1 1 16 16 GLU HA H 16 4.206 4.206 3.980 0.226 25284 4895 1 11 . 1 1 16 16 GLU C C 16 178.547 178.547 178.603 -0.056 25284 4896 1 11 . 1 1 16 16 GLU CA C 16 59.042 59.042 59.111 -0.069 25284 4897 1 11 . 1 1 16 16 GLU CB C 16 29.692 29.692 29.382 0.310 25284 4898 1 11 . 1 1 16 16 GLU H H 16 8.218 8.218 7.722 0.496 25284 4899 1 11 . 1 1 17 17 SER N N 17 113.928 113.928 114.054 -0.126 25284 4900 1 11 . 1 1 17 17 SER HA H 17 4.577 4.577 4.342 0.235 25284 4901 1 11 . 1 1 17 17 SER C C 17 174.273 174.273 174.563 -0.290 25284 4902 1 11 . 1 1 17 17 SER CA C 17 59.940 59.940 59.665 0.275 25284 4903 1 11 . 1 1 17 17 SER CB C 17 64.378 64.378 63.367 1.011 25284 4904 1 11 . 1 1 17 17 SER H H 17 7.798 7.798 7.978 -0.180 25284 4905 1 11 . 1 1 18 18 ALA N N 18 123.357 123.357 123.985 -0.628 25284 4906 1 11 . 1 1 18 18 ALA HA H 18 4.347 4.347 4.289 0.058 25284 4907 1 11 . 1 1 18 18 ALA C C 18 178.292 178.292 177.166 1.126 25284 4908 1 11 . 1 1 18 18 ALA CA C 18 52.991 52.991 51.663 1.328 25284 4909 1 11 . 1 1 18 18 ALA CB C 18 19.965 19.965 17.813 2.152 25284 4910 1 11 . 1 1 18 18 ALA H H 18 7.813 7.813 7.560 0.253 25284 4911 1 11 . 1 1 19 19 GLY N N 19 107.711 107.711 110.371 -2.660 25284 4912 1 11 . 1 1 19 19 GLY C C 19 174.440 174.440 174.370 0.070 25284 4913 1 11 . 1 1 19 19 GLY CA C 19 45.650 45.650 45.428 0.222 25284 4914 1 11 . 1 1 19 19 GLY H H 19 8.256 8.256 7.872 0.384 25284 4915 1 11 . 1 1 20 20 GLU N N 20 120.763 120.763 122.007 -1.244 25284 4916 1 11 . 1 1 20 20 GLU HA H 20 4.477 4.477 4.568 -0.091 25284 4917 1 11 . 1 1 20 20 GLU C C 20 176.905 176.905 175.564 1.341 25284 4918 1 11 . 1 1 20 20 GLU CA C 20 56.896 56.896 55.547 1.349 25284 4919 1 11 . 1 1 20 20 GLU CB C 20 30.160 30.160 29.156 1.004 25284 4920 1 11 . 1 1 20 20 GLU H H 20 8.508 8.508 8.515 -0.007 25284 4921 1 11 . 1 1 21 21 THR N N 21 114.316 114.316 116.852 -2.536 25284 4922 1 11 . 1 1 21 21 THR HA H 21 4.529 4.529 4.368 0.161 25284 4923 1 11 . 1 1 21 21 THR C C 21 174.564 174.564 172.665 1.899 25284 4924 1 11 . 1 1 21 21 THR CA C 21 61.942 61.942 62.197 -0.255 25284 4925 1 11 . 1 1 21 21 THR CB C 21 70.323 70.323 70.592 -0.269 25284 4926 1 11 . 1 1 21 21 THR H H 21 8.258 8.258 8.143 0.115 25284 4927 1 11 . 1 1 22 22 ASP N N 22 122.479 122.479 122.619 -0.140 25284 4928 1 11 . 1 1 22 22 ASP HA H 22 4.728 4.728 4.692 0.036 25284 4929 1 11 . 1 1 22 22 ASP C C 22 176.913 176.913 176.040 0.873 25284 4930 1 11 . 1 1 22 22 ASP CA C 22 54.806 54.806 54.166 0.640 25284 4931 1 11 . 1 1 22 22 ASP CB C 22 41.144 41.144 41.516 -0.372 25284 4932 1 11 . 1 1 22 22 ASP H H 22 8.506 8.506 8.513 -0.007 25284 4933 1 11 . 1 1 23 23 GLY N N 23 109.608 109.608 113.418 -3.810 25284 4934 1 11 . 1 1 23 23 GLY C C 23 174.806 174.806 174.651 0.155 25284 4935 1 11 . 1 1 23 23 GLY CA C 23 45.969 45.969 45.101 0.868 25284 4936 1 11 . 1 1 23 23 GLY H H 23 8.503 8.503 8.528 -0.025 25284 4937 1 11 . 1 1 24 24 THR N N 24 116.205 116.205 116.652 -0.447 25284 4938 1 11 . 1 1 24 24 THR HA H 24 4.333 4.333 4.251 0.082 25284 4939 1 11 . 1 1 24 24 THR C C 24 174.247 174.247 174.490 -0.243 25284 4940 1 11 . 1 1 24 24 THR CA C 24 63.240 63.240 61.977 1.263 25284 4941 1 11 . 1 1 24 24 THR CB C 24 70.056 70.056 70.136 -0.080 25284 4942 1 11 . 1 1 24 24 THR H H 24 8.152 8.152 7.697 0.455 25284 4943 1 11 . 1 1 25 25 ASP N N 25 124.096 124.096 119.629 4.467 25284 4944 1 11 . 1 1 25 25 ASP HA H 25 4.718 4.718 4.741 -0.023 25284 4945 1 11 . 1 1 25 25 ASP C C 25 176.223 176.223 176.848 -0.625 25284 4946 1 11 . 1 1 25 25 ASP CA C 25 54.536 54.536 53.847 0.689 25284 4947 1 11 . 1 1 25 25 ASP CB C 25 41.163 41.163 42.220 -1.057 25284 4948 1 11 . 1 1 25 25 ASP H H 25 8.620 8.620 8.491 0.129 25284 4949 1 11 . 1 1 26 26 LEU N N 26 123.934 123.934 127.545 -3.611 25284 4950 1 11 . 1 1 26 26 LEU HA H 26 4.365 4.365 4.445 -0.080 25284 4951 1 11 . 1 1 26 26 LEU C C 26 176.356 176.356 175.728 0.628 25284 4952 1 11 . 1 1 26 26 LEU CA C 26 54.374 54.374 53.984 0.390 25284 4953 1 11 . 1 1 26 26 LEU CB C 26 41.235 41.235 40.751 0.484 25284 4954 1 11 . 1 1 26 26 LEU H H 26 8.482 8.482 8.383 0.099 25284 4955 1 11 . 1 1 27 27 SER N N 27 115.330 115.330 116.045 -0.715 25284 4956 1 11 . 1 1 27 27 SER HA H 27 4.300 4.300 4.610 -0.310 25284 4957 1 11 . 1 1 27 27 SER C C 27 175.077 175.077 174.721 0.356 25284 4958 1 11 . 1 1 27 27 SER CA C 27 59.917 59.917 59.083 0.834 25284 4959 1 11 . 1 1 27 27 SER CB C 27 64.229 64.229 63.668 0.561 25284 4960 1 11 . 1 1 27 27 SER H H 27 8.214 8.214 7.615 0.599 25284 4961 1 11 . 1 1 28 28 GLY N N 28 111.630 111.630 115.516 -3.886 25284 4962 1 11 . 1 1 28 28 GLY C C 28 174.303 174.303 173.269 1.034 25284 4963 1 11 . 1 1 28 28 GLY CA C 28 45.500 45.500 44.631 0.869 25284 4964 1 11 . 1 1 28 28 GLY H H 28 8.592 8.592 8.491 0.101 25284 4965 1 11 . 1 1 29 29 ASP N N 29 123.552 123.552 123.609 -0.057 25284 4966 1 11 . 1 1 29 29 ASP HA H 29 4.851 4.851 4.772 0.079 25284 4967 1 11 . 1 1 29 29 ASP C C 29 176.494 176.494 175.563 0.931 25284 4968 1 11 . 1 1 29 29 ASP CA C 29 54.312 54.312 53.478 0.834 25284 4969 1 11 . 1 1 29 29 ASP CB C 29 39.771 39.771 40.221 -0.451 25284 4970 1 11 . 1 1 29 29 ASP H H 29 8.690 8.690 8.534 0.156 25284 4971 1 11 . 1 1 30 30 PHE N N 30 122.578 122.578 121.715 0.863 25284 4972 1 11 . 1 1 30 30 PHE HA H 30 4.764 4.764 4.634 0.130 25284 4973 1 11 . 1 1 30 30 PHE C C 30 175.529 175.529 174.686 0.843 25284 4974 1 11 . 1 1 30 30 PHE CA C 30 57.493 57.493 57.349 0.144 25284 4975 1 11 . 1 1 30 30 PHE CB C 30 40.639 40.639 38.825 1.814 25284 4976 1 11 . 1 1 30 30 PHE H H 30 8.076 8.076 7.985 0.091 25284 4977 1 11 . 1 1 31 31 LEU N N 31 119.188 119.188 120.889 -1.701 25284 4978 1 11 . 1 1 31 31 LEU HA H 31 3.302 3.302 3.782 -0.480 25284 4979 1 11 . 1 1 31 31 LEU C C 31 176.503 176.503 176.683 -0.180 25284 4980 1 11 . 1 1 31 31 LEU CA C 31 57.940 57.940 56.097 1.843 25284 4981 1 11 . 1 1 31 31 LEU CB C 31 42.218 42.218 42.355 -0.137 25284 4982 1 11 . 1 1 31 31 LEU H H 31 7.535 7.535 7.293 0.242 25284 4983 1 11 . 1 1 32 32 ASP N N 32 112.101 112.101 117.613 -5.512 25284 4984 1 11 . 1 1 32 32 ASP HA H 32 5.047 5.047 4.527 0.520 25284 4985 1 11 . 1 1 32 32 ASP C C 32 176.064 176.064 176.115 -0.051 25284 4986 1 11 . 1 1 32 32 ASP CA C 32 53.755 53.755 54.719 -0.964 25284 4987 1 11 . 1 1 32 32 ASP CB C 32 41.824 41.824 41.602 0.222 25284 4988 1 11 . 1 1 32 32 ASP H H 32 8.087 8.087 8.295 -0.208 25284 4989 1 11 . 1 1 33 33 LEU N N 33 122.380 122.380 120.864 1.516 25284 4990 1 11 . 1 1 33 33 LEU HA H 33 4.309 4.309 4.456 -0.147 25284 4991 1 11 . 1 1 33 33 LEU C C 33 174.879 174.879 175.345 -0.466 25284 4992 1 11 . 1 1 33 33 LEU CA C 33 54.566 54.566 54.657 -0.091 25284 4993 1 11 . 1 1 33 33 LEU CB C 33 42.528 42.528 43.674 -1.146 25284 4994 1 11 . 1 1 33 33 LEU H H 33 7.222 7.222 7.384 -0.162 25284 4995 1 11 . 1 1 34 34 ARG N N 34 116.439 116.439 118.712 -2.273 25284 4996 1 11 . 1 1 34 34 ARG HA H 34 4.725 4.725 4.598 0.127 25284 4997 1 11 . 1 1 34 34 ARG C C 34 179.778 179.778 177.927 1.851 25284 4998 1 11 . 1 1 34 34 ARG CA C 34 55.536 55.536 55.028 0.508 25284 4999 1 11 . 1 1 34 34 ARG CB C 34 30.173 30.173 31.414 -1.241 25284 5000 1 11 . 1 1 34 34 ARG H H 34 8.487 8.487 8.118 0.369 25284 5001 1 11 . 1 1 35 35 PHE N N 35 123.548 123.548 121.952 1.596 25284 5002 1 11 . 1 1 35 35 PHE HA H 35 4.385 4.385 4.131 0.254 25284 5003 1 11 . 1 1 35 35 PHE C C 35 178.776 178.776 177.798 0.978 25284 5004 1 11 . 1 1 35 35 PHE CA C 35 63.121 63.121 63.257 -0.136 25284 5005 1 11 . 1 1 35 35 PHE CB C 35 37.967 37.967 38.765 -0.798 25284 5006 1 11 . 1 1 35 35 PHE H H 35 8.455 8.455 8.900 -0.445 25284 5007 1 11 . 1 1 36 36 GLU N N 36 117.380 117.380 117.866 -0.486 25284 5008 1 11 . 1 1 36 36 GLU HA H 36 4.358 4.358 4.095 0.263 25284 5009 1 11 . 1 1 36 36 GLU C C 36 178.612 178.612 178.815 -0.203 25284 5010 1 11 . 1 1 36 36 GLU CA C 36 59.145 59.145 58.806 0.340 25284 5011 1 11 . 1 1 36 36 GLU CB C 36 29.301 29.301 28.945 0.356 25284 5012 1 11 . 1 1 36 36 GLU H H 36 9.560 9.560 8.834 0.726 25284 5013 1 11 . 1 1 37 37 ASP N N 37 118.596 118.596 120.789 -2.193 25284 5014 1 11 . 1 1 37 37 ASP HA H 37 4.810 4.810 4.587 0.223 25284 5015 1 11 . 1 1 37 37 ASP C C 37 177.993 177.993 177.594 0.399 25284 5016 1 11 . 1 1 37 37 ASP CA C 37 56.474 56.474 56.193 0.281 25284 5017 1 11 . 1 1 37 37 ASP CB C 37 41.411 41.411 41.345 0.066 25284 5018 1 11 . 1 1 37 37 ASP H H 37 7.546 7.546 7.860 -0.314 25284 5019 1 11 . 1 1 38 38 ILE N N 38 113.080 113.080 113.184 -0.104 25284 5020 1 11 . 1 1 38 38 ILE HA H 38 4.663 4.663 4.561 0.102 25284 5021 1 11 . 1 1 38 38 ILE C C 38 176.140 176.140 176.121 0.019 25284 5022 1 11 . 1 1 38 38 ILE CA C 38 62.038 62.038 60.731 1.307 25284 5023 1 11 . 1 1 38 38 ILE CB C 38 38.755 38.755 37.448 1.307 25284 5024 1 11 . 1 1 38 38 ILE H H 38 7.725 7.725 7.392 0.333 25284 5025 1 11 . 1 1 39 39 GLY N N 39 107.376 107.376 109.108 -1.732 25284 5026 1 11 . 1 1 39 39 GLY C C 39 174.497 174.497 173.559 0.938 25284 5027 1 11 . 1 1 39 39 GLY CA C 39 46.580 46.580 45.578 1.002 25284 5028 1 11 . 1 1 39 39 GLY H H 39 7.736 7.736 7.733 0.003 25284 5029 1 11 . 1 1 40 40 TYR N N 40 121.883 121.883 119.848 2.035 25284 5030 1 11 . 1 1 40 40 TYR HA H 40 4.583 4.583 4.662 -0.079 25284 5031 1 11 . 1 1 40 40 TYR C C 40 174.479 174.479 174.667 -0.188 25284 5032 1 11 . 1 1 40 40 TYR CA C 40 58.153 58.153 57.923 0.230 25284 5033 1 11 . 1 1 40 40 TYR CB C 40 40.535 40.535 38.895 1.639 25284 5034 1 11 . 1 1 40 40 TYR H H 40 8.059 8.059 8.518 -0.459 25284 5035 1 11 . 1 1 41 41 ASP N N 41 124.021 124.021 123.869 0.152 25284 5036 1 11 . 1 1 41 41 ASP HA H 41 4.739 4.739 4.660 0.079 25284 5037 1 11 . 1 1 41 41 ASP C C 41 175.831 175.831 177.475 -1.644 25284 5038 1 11 . 1 1 41 41 ASP CA C 41 52.669 52.669 53.266 -0.597 25284 5039 1 11 . 1 1 41 41 ASP CB C 41 42.015 42.015 43.215 -1.200 25284 5040 1 11 . 1 1 41 41 ASP H H 41 7.992 7.992 8.181 -0.189 25284 5041 1 11 . 1 1 42 42 SER N N 42 114.198 114.198 115.536 -1.338 25284 5042 1 11 . 1 1 42 42 SER HA H 42 4.272 4.272 4.314 -0.042 25284 5043 1 11 . 1 1 42 42 SER C C 42 176.102 176.102 176.709 -0.607 25284 5044 1 11 . 1 1 42 42 SER CA C 42 60.657 60.657 60.951 -0.294 25284 5045 1 11 . 1 1 42 42 SER CB C 42 66.110 66.110 62.946 3.164 25284 5046 1 11 . 1 1 43 43 LEU N N 43 124.254 124.254 121.517 2.737 25284 5047 1 11 . 1 1 43 43 LEU HA H 43 4.269 4.269 4.177 0.092 25284 5048 1 11 . 1 1 43 43 LEU C C 43 179.140 179.140 178.357 0.783 25284 5049 1 11 . 1 1 43 43 LEU CA C 43 58.567 58.567 57.894 0.673 25284 5050 1 11 . 1 1 43 43 LEU CB C 43 41.178 41.178 41.360 -0.182 25284 5051 1 11 . 1 1 43 43 LEU H H 43 7.792 7.792 8.048 -0.256 25284 5052 1 11 . 1 1 44 44 ALA N N 44 123.473 123.473 121.776 1.697 25284 5053 1 11 . 1 1 44 44 ALA HA H 44 4.318 4.318 4.123 0.195 25284 5054 1 11 . 1 1 44 44 ALA C C 44 181.903 181.903 180.073 1.830 25284 5055 1 11 . 1 1 44 44 ALA CA C 44 55.068 55.068 55.053 0.015 25284 5056 1 11 . 1 1 44 44 ALA CB C 44 18.556 18.556 18.088 0.468 25284 5057 1 11 . 1 1 44 44 ALA H H 44 8.140 8.140 8.224 -0.084 25284 5058 1 11 . 1 1 45 45 LEU N N 45 121.524 121.524 120.280 1.244 25284 5059 1 11 . 1 1 45 45 LEU HA H 45 3.898 3.898 3.996 -0.098 25284 5060 1 11 . 1 1 45 45 LEU C C 45 179.040 179.040 178.447 0.593 25284 5061 1 11 . 1 1 45 45 LEU CA C 45 58.475 58.475 58.202 0.273 25284 5062 1 11 . 1 1 45 45 LEU CB C 45 41.780 41.780 40.952 0.828 25284 5063 1 11 . 1 1 45 45 LEU H H 45 8.442 8.442 8.183 0.259 25284 5064 1 11 . 1 1 46 46 MET N N 46 119.769 119.769 117.588 2.181 25284 5065 1 11 . 1 1 46 46 MET HA H 46 4.265 4.265 3.966 0.299 25284 5066 1 11 . 1 1 46 46 MET C C 46 180.609 180.609 178.614 1.995 25284 5067 1 11 . 1 1 46 46 MET CA C 46 58.853 58.853 59.645 -0.792 25284 5068 1 11 . 1 1 46 46 MET CB C 46 32.119 32.119 31.886 0.233 25284 5069 1 11 . 1 1 46 46 MET H H 46 8.234 8.234 7.408 0.826 25284 5070 1 11 . 1 1 47 47 GLU N N 47 121.097 121.097 119.728 1.369 25284 5071 1 11 . 1 1 47 47 GLU HA H 47 4.228 4.228 4.015 0.213 25284 5072 1 11 . 1 1 47 47 GLU C C 47 179.333 179.333 179.513 -0.180 25284 5073 1 11 . 1 1 47 47 GLU CA C 47 59.644 59.644 59.815 -0.171 25284 5074 1 11 . 1 1 47 47 GLU CB C 47 28.977 28.977 29.256 -0.279 25284 5075 1 11 . 1 1 47 47 GLU H H 47 8.517 8.517 8.577 -0.060 25284 5076 1 11 . 1 1 48 48 THR N N 48 118.834 118.834 116.176 2.658 25284 5077 1 11 . 1 1 48 48 THR HA H 48 3.961 3.961 4.092 -0.131 25284 5078 1 11 . 1 1 48 48 THR C C 48 176.348 176.348 176.516 -0.168 25284 5079 1 11 . 1 1 48 48 THR CA C 48 67.842 67.842 66.538 1.304 25284 5080 1 11 . 1 1 48 48 THR CB C 48 68.056 68.056 68.579 -0.523 25284 5081 1 11 . 1 1 48 48 THR H H 48 8.325 8.325 8.013 0.312 25284 5082 1 11 . 1 1 49 49 ALA N N 49 123.924 123.924 123.419 0.505 25284 5083 1 11 . 1 1 49 49 ALA HA H 49 3.926 3.926 4.007 -0.081 25284 5084 1 11 . 1 1 49 49 ALA C C 49 178.608 178.608 179.410 -0.802 25284 5085 1 11 . 1 1 49 49 ALA CA C 49 56.247 56.247 55.160 1.087 25284 5086 1 11 . 1 1 49 49 ALA CB C 49 17.569 17.569 18.121 -0.552 25284 5087 1 11 . 1 1 49 49 ALA H H 49 8.747 8.747 8.323 0.424 25284 5088 1 11 . 1 1 50 50 ALA N N 50 119.691 119.691 121.091 -1.400 25284 5089 1 11 . 1 1 50 50 ALA HA H 50 4.269 4.269 4.240 0.029 25284 5090 1 11 . 1 1 50 50 ALA C C 50 181.310 181.310 179.320 1.990 25284 5091 1 11 . 1 1 50 50 ALA CA C 50 55.422 55.422 54.699 0.723 25284 5092 1 11 . 1 1 50 50 ALA CB C 50 18.171 18.171 18.469 -0.298 25284 5093 1 11 . 1 1 50 50 ALA H H 50 8.245 8.245 8.664 -0.419 25284 5094 1 11 . 1 1 51 51 ARG N N 51 119.913 119.913 119.558 0.355 25284 5095 1 11 . 1 1 51 51 ARG HA H 51 4.247 4.247 4.062 0.185 25284 5096 1 11 . 1 1 51 51 ARG C C 51 179.808 179.808 178.494 1.314 25284 5097 1 11 . 1 1 51 51 ARG CA C 51 59.673 59.673 58.977 0.696 25284 5098 1 11 . 1 1 51 51 ARG CB C 51 30.539 30.539 29.971 0.567 25284 5099 1 11 . 1 1 51 51 ARG H H 51 8.129 8.129 7.621 0.508 25284 5100 1 11 . 1 1 52 52 LEU N N 52 120.624 120.624 119.539 1.085 25284 5101 1 11 . 1 1 52 52 LEU HA H 52 4.319 4.319 4.133 0.186 25284 5102 1 11 . 1 1 52 52 LEU C C 52 179.192 179.192 179.363 -0.171 25284 5103 1 11 . 1 1 52 52 LEU CA C 52 58.253 58.253 58.177 0.076 25284 5104 1 11 . 1 1 52 52 LEU CB C 52 42.812 42.812 41.610 1.202 25284 5105 1 11 . 1 1 52 52 LEU H H 52 8.423 8.423 8.071 0.352 25284 5106 1 11 . 1 1 53 53 GLU N N 53 119.779 119.779 119.646 0.133 25284 5107 1 11 . 1 1 53 53 GLU HA H 53 4.108 4.108 4.048 0.060 25284 5108 1 11 . 1 1 53 53 GLU C C 53 179.388 179.388 179.724 -0.336 25284 5109 1 11 . 1 1 53 53 GLU CA C 53 60.211 60.211 59.579 0.632 25284 5110 1 11 . 1 1 53 53 GLU CB C 53 29.143 29.143 29.506 -0.363 25284 5111 1 11 . 1 1 53 53 GLU H H 53 8.974 8.974 8.692 0.282 25284 5112 1 11 . 1 1 54 54 SER N N 54 113.169 113.169 115.368 -2.199 25284 5113 1 11 . 1 1 54 54 SER HA H 54 4.384 4.384 4.311 0.073 25284 5114 1 11 . 1 1 54 54 SER C C 54 176.953 176.953 175.688 1.265 25284 5115 1 11 . 1 1 54 54 SER CA C 54 61.279 61.279 61.152 0.127 25284 5116 1 11 . 1 1 54 54 SER CB C 54 63.402 63.402 63.123 0.279 25284 5117 1 11 . 1 1 54 54 SER H H 54 8.037 8.037 8.294 -0.257 25284 5118 1 11 . 1 1 55 55 ARG N N 55 120.851 120.851 120.438 0.413 25284 5119 1 11 . 1 1 55 55 ARG HA H 55 4.100 4.100 3.965 0.135 25284 5120 1 11 . 1 1 55 55 ARG C C 55 177.905 177.905 177.801 0.104 25284 5121 1 11 . 1 1 55 55 ARG CA C 55 58.949 58.949 58.312 0.637 25284 5122 1 11 . 1 1 55 55 ARG CB C 55 30.896 30.896 30.575 0.321 25284 5123 1 11 . 1 1 55 55 ARG H H 55 8.099 8.099 8.046 0.053 25284 5124 1 11 . 1 1 56 56 TYR N N 56 113.669 113.669 114.598 -0.929 25284 5125 1 11 . 1 1 56 56 TYR HA H 56 4.687 4.687 4.626 0.061 25284 5126 1 11 . 1 1 56 56 TYR C C 56 176.069 176.069 175.238 0.831 25284 5127 1 11 . 1 1 56 56 TYR CA C 56 59.055 59.055 57.827 1.228 25284 5128 1 11 . 1 1 56 56 TYR CB C 56 39.465 39.465 38.976 0.489 25284 5129 1 11 . 1 1 56 56 TYR H H 56 8.158 8.158 7.778 0.380 25284 5130 1 11 . 1 1 57 57 GLY N N 57 109.856 109.856 110.079 -0.223 25284 5131 1 11 . 1 1 57 57 GLY C C 57 174.642 174.642 174.628 0.014 25284 5132 1 11 . 1 1 57 57 GLY CA C 57 47.476 47.476 45.588 1.888 25284 5133 1 11 . 1 1 57 57 GLY H H 57 7.982 7.982 7.737 0.245 25284 5134 1 11 . 1 1 58 58 VAL N N 58 112.572 112.572 113.930 -1.358 25284 5135 1 11 . 1 1 58 58 VAL HA H 58 4.676 4.676 4.590 0.086 25284 5136 1 11 . 1 1 58 58 VAL C C 58 174.069 174.069 174.426 -0.357 25284 5137 1 11 . 1 1 58 58 VAL CA C 58 59.313 59.313 59.406 -0.093 25284 5138 1 11 . 1 1 58 58 VAL CB C 58 34.744 34.744 34.199 0.545 25284 5139 1 11 . 1 1 58 58 VAL H H 58 7.497 7.497 7.493 0.004 25284 5140 1 11 . 1 1 59 59 SER N N 59 117.179 117.179 114.810 2.369 25284 5141 1 11 . 1 1 59 59 SER HA H 59 4.846 4.846 4.926 -0.080 25284 5142 1 11 . 1 1 59 59 SER C C 59 173.699 173.699 173.200 0.499 25284 5143 1 11 . 1 1 59 59 SER CA C 59 57.401 57.401 57.957 -0.556 25284 5144 1 11 . 1 1 59 59 SER CB C 59 64.502 64.502 64.760 -0.258 25284 5145 1 11 . 1 1 59 59 SER H H 59 8.489 8.489 8.147 0.342 25284 5146 1 11 . 1 1 60 60 ILE N N 60 125.858 125.858 126.675 -0.817 25284 5147 1 11 . 1 1 60 60 ILE HA H 60 4.651 4.651 4.554 0.097 25284 5148 1 11 . 1 1 60 60 ILE CA C 60 57.694 57.694 58.204 -0.510 25284 5149 1 11 . 1 1 60 60 ILE CB C 60 40.500 40.500 39.768 0.732 25284 5150 1 11 . 1 1 60 60 ILE H H 60 8.222 8.222 9.387 -1.165 25284 5151 1 11 . 1 1 61 61 PRO HA H 61 4.530 4.530 4.493 0.037 25284 5152 1 11 . 1 1 61 61 PRO C C 61 177.512 177.512 177.443 0.069 25284 5153 1 11 . 1 1 61 61 PRO CA C 61 63.561 63.561 62.419 1.142 25284 5154 1 11 . 1 1 61 61 PRO CB C 61 32.770 32.770 32.351 0.419 25284 5155 1 11 . 1 1 62 62 ASP N N 62 123.459 123.459 123.546 -0.087 25284 5156 1 11 . 1 1 62 62 ASP HA H 62 4.449 4.449 4.176 0.273 25284 5157 1 11 . 1 1 62 62 ASP C C 62 177.284 177.284 178.049 -0.765 25284 5158 1 11 . 1 1 62 62 ASP CA C 62 57.112 57.112 57.685 -0.573 25284 5159 1 11 . 1 1 62 62 ASP CB C 62 40.740 40.740 40.609 0.131 25284 5160 1 11 . 1 1 62 62 ASP H H 62 8.831 8.831 8.760 0.071 25284 5161 1 11 . 1 1 63 63 ASP N N 63 116.794 116.794 119.001 -2.207 25284 5162 1 11 . 1 1 63 63 ASP HA H 63 4.529 4.529 4.387 0.142 25284 5163 1 11 . 1 1 63 63 ASP C C 63 177.294 177.294 177.804 -0.510 25284 5164 1 11 . 1 1 63 63 ASP CA C 63 54.956 54.956 56.697 -1.741 25284 5165 1 11 . 1 1 63 63 ASP CB C 63 39.687 39.687 40.828 -1.141 25284 5166 1 11 . 1 1 63 63 ASP H H 63 8.617 8.617 8.480 0.137 25284 5167 1 11 . 1 1 64 64 VAL N N 64 119.209 119.209 118.722 0.487 25284 5168 1 11 . 1 1 64 64 VAL HA H 64 3.812 3.812 3.843 -0.031 25284 5169 1 11 . 1 1 64 64 VAL C C 64 177.556 177.556 178.387 -0.831 25284 5170 1 11 . 1 1 64 64 VAL CA C 64 65.179 65.179 64.659 0.520 25284 5171 1 11 . 1 1 64 64 VAL CB C 64 32.413 32.413 31.497 0.916 25284 5172 1 11 . 1 1 64 64 VAL H H 64 7.407 7.407 7.479 -0.072 25284 5173 1 11 . 1 1 65 65 ALA N N 65 122.418 122.418 124.491 -2.073 25284 5174 1 11 . 1 1 65 65 ALA HA H 65 3.987 3.987 3.997 -0.010 25284 5175 1 11 . 1 1 65 65 ALA C C 65 177.994 177.994 179.144 -1.150 25284 5176 1 11 . 1 1 65 65 ALA CA C 65 54.842 54.842 54.978 -0.136 25284 5177 1 11 . 1 1 65 65 ALA CB C 65 18.522 18.522 18.313 0.209 25284 5178 1 11 . 1 1 65 65 ALA H H 65 8.246 8.246 8.005 0.241 25284 5179 1 11 . 1 1 66 66 GLY N N 66 100.378 100.378 103.261 -2.883 25284 5180 1 11 . 1 1 66 66 GLY C C 66 174.387 174.387 175.129 -0.742 25284 5181 1 11 . 1 1 66 66 GLY CA C 66 46.015 46.015 45.109 0.906 25284 5182 1 11 . 1 1 66 66 GLY H H 66 8.021 8.021 7.786 0.235 25284 5183 1 11 . 1 1 67 67 ARG N N 67 116.838 116.838 119.397 -2.559 25284 5184 1 11 . 1 1 67 67 ARG HA H 67 4.623 4.623 4.542 0.081 25284 5185 1 11 . 1 1 67 67 ARG C C 67 176.509 176.509 176.005 0.504 25284 5186 1 11 . 1 1 67 67 ARG CA C 67 55.883 55.883 55.149 0.734 25284 5187 1 11 . 1 1 67 67 ARG CB C 67 31.911 31.911 30.788 1.123 25284 5188 1 11 . 1 1 67 67 ARG H H 67 7.483 7.483 7.611 -0.128 25284 5189 1 11 . 1 1 68 68 VAL N N 68 114.649 114.649 115.599 -0.950 25284 5190 1 11 . 1 1 68 68 VAL HA H 68 4.468 4.468 4.318 0.150 25284 5191 1 11 . 1 1 68 68 VAL C C 68 175.192 175.192 175.383 -0.191 25284 5192 1 11 . 1 1 68 68 VAL CA C 68 61.819 61.819 60.586 1.233 25284 5193 1 11 . 1 1 68 68 VAL CB C 68 33.624 33.624 33.572 0.052 25284 5194 1 11 . 1 1 68 68 VAL H H 68 7.284 7.284 7.477 -0.193 25284 5195 1 11 . 1 1 69 69 ASP N N 69 120.972 120.972 119.844 1.128 25284 5196 1 11 . 1 1 69 69 ASP HA H 69 5.264 5.264 4.951 0.313 25284 5197 1 11 . 1 1 69 69 ASP C C 69 176.970 176.970 175.251 1.719 25284 5198 1 11 . 1 1 69 69 ASP CA C 69 55.811 55.811 55.038 0.774 25284 5199 1 11 . 1 1 69 69 ASP CB C 69 44.441 44.441 43.703 0.738 25284 5200 1 11 . 1 1 69 69 ASP H H 69 9.167 9.167 8.791 0.376 25284 5201 1 11 . 1 1 70 70 THR N N 70 108.311 108.311 113.337 -5.026 25284 5202 1 11 . 1 1 70 70 THR HA H 70 4.939 4.939 5.249 -0.310 25284 5203 1 11 . 1 1 70 70 THR CA C 70 57.823 57.823 58.648 -0.825 25284 5204 1 11 . 1 1 70 70 THR CB C 70 71.412 71.412 70.570 0.842 25284 5205 1 11 . 1 1 70 70 THR H H 70 7.477 7.477 8.799 -1.322 25284 5206 1 11 . 1 1 71 71 PRO HA H 71 4.235 4.235 4.065 0.170 25284 5207 1 11 . 1 1 71 71 PRO C C 71 177.422 177.422 177.831 -0.409 25284 5208 1 11 . 1 1 71 71 PRO CA C 71 66.002 66.002 65.428 0.574 25284 5209 1 11 . 1 1 71 71 PRO CB C 71 32.686 32.686 31.370 1.316 25284 5210 1 11 . 1 1 72 72 ARG N N 72 117.972 117.972 117.534 0.438 25284 5211 1 11 . 1 1 72 72 ARG HA H 72 3.609 3.609 3.934 -0.325 25284 5212 1 11 . 1 1 72 72 ARG C C 72 177.616 177.616 178.358 -0.742 25284 5213 1 11 . 1 1 72 72 ARG CA C 72 60.243 60.243 59.501 0.742 25284 5214 1 11 . 1 1 72 72 ARG CB C 72 30.524 30.524 29.194 1.330 25284 5215 1 11 . 1 1 72 72 ARG H H 72 9.016 9.016 7.924 1.092 25284 5216 1 11 . 1 1 73 73 GLU N N 73 116.790 116.790 120.692 -3.902 25284 5217 1 11 . 1 1 73 73 GLU HA H 73 4.242 4.242 4.081 0.161 25284 5218 1 11 . 1 1 73 73 GLU C C 73 180.200 180.200 179.001 1.199 25284 5219 1 11 . 1 1 73 73 GLU CA C 73 59.226 59.226 59.009 0.217 25284 5220 1 11 . 1 1 73 73 GLU CB C 73 30.069 30.069 29.428 0.641 25284 5221 1 11 . 1 1 73 73 GLU H H 73 7.838 7.838 7.687 0.151 25284 5222 1 11 . 1 1 74 74 LEU N N 74 120.656 120.656 121.434 -0.778 25284 5223 1 11 . 1 1 74 74 LEU HA H 74 4.313 4.313 4.156 0.157 25284 5224 1 11 . 1 1 74 74 LEU C C 74 177.023 177.023 178.947 -1.924 25284 5225 1 11 . 1 1 74 74 LEU CA C 74 58.179 58.179 57.791 0.388 25284 5226 1 11 . 1 1 74 74 LEU CB C 74 42.292 42.292 41.704 0.588 25284 5227 1 11 . 1 1 74 74 LEU H H 74 7.703 7.703 7.523 0.180 25284 5228 1 11 . 1 1 75 75 LEU N N 75 121.434 121.434 119.940 1.494 25284 5229 1 11 . 1 1 75 75 LEU HA H 75 3.894 3.894 4.003 -0.109 25284 5230 1 11 . 1 1 75 75 LEU C C 75 178.169 178.169 177.877 0.292 25284 5231 1 11 . 1 1 75 75 LEU CA C 75 58.562 58.562 58.369 0.193 25284 5232 1 11 . 1 1 75 75 LEU CB C 75 42.408 42.408 41.577 0.831 25284 5233 1 11 . 1 1 75 75 LEU H H 75 8.743 8.743 8.703 0.040 25284 5234 1 11 . 1 1 76 76 ASP N N 76 117.849 117.849 119.210 -1.361 25284 5235 1 11 . 1 1 76 76 ASP HA H 76 4.488 4.488 4.595 -0.107 25284 5236 1 11 . 1 1 76 76 ASP C C 76 180.127 180.127 178.484 1.643 25284 5237 1 11 . 1 1 76 76 ASP CA C 76 57.487 57.487 57.239 0.249 25284 5238 1 11 . 1 1 76 76 ASP CB C 76 40.085 40.085 40.863 -0.778 25284 5239 1 11 . 1 1 76 76 ASP H H 76 8.711 8.711 7.905 0.806 25284 5240 1 11 . 1 1 77 77 LEU N N 77 123.252 123.252 120.906 2.346 25284 5241 1 11 . 1 1 77 77 LEU HA H 77 4.303 4.303 3.964 0.339 25284 5242 1 11 . 1 1 77 77 LEU C C 77 180.621 180.621 179.075 1.546 25284 5243 1 11 . 1 1 77 77 LEU CA C 77 58.439 58.439 58.089 0.350 25284 5244 1 11 . 1 1 77 77 LEU CB C 77 42.905 42.905 41.800 1.105 25284 5245 1 11 . 1 1 77 77 LEU H H 77 8.009 8.009 8.049 -0.040 25284 5246 1 11 . 1 1 78 78 ILE N N 78 120.216 120.216 119.713 0.503 25284 5247 1 11 . 1 1 78 78 ILE HA H 78 3.750 3.750 3.578 0.172 25284 5248 1 11 . 1 1 78 78 ILE C C 78 177.713 177.713 178.143 -0.430 25284 5249 1 11 . 1 1 78 78 ILE CA C 78 64.757 64.757 64.159 0.598 25284 5250 1 11 . 1 1 78 78 ILE CB C 78 37.402 37.402 36.470 0.932 25284 5251 1 11 . 1 1 78 78 ILE H H 78 8.294 8.294 8.127 0.167 25284 5252 1 11 . 1 1 79 79 ASN N N 79 118.191 118.191 118.968 -0.777 25284 5253 1 11 . 1 1 79 79 ASN HA H 79 4.912 4.912 4.211 0.701 25284 5254 1 11 . 1 1 79 79 ASN C C 79 179.524 179.524 177.907 1.617 25284 5255 1 11 . 1 1 79 79 ASN CA C 79 55.473 55.473 56.585 -1.112 25284 5256 1 11 . 1 1 79 79 ASN CB C 79 37.331 37.331 38.151 -0.820 25284 5257 1 11 . 1 1 79 79 ASN H H 79 8.887 8.887 8.725 0.162 25284 5258 1 11 . 1 1 80 80 GLY N N 80 110.387 110.387 107.715 2.672 25284 5259 1 11 . 1 1 80 80 GLY C C 80 175.783 175.783 175.459 0.324 25284 5260 1 11 . 1 1 80 80 GLY CA C 80 47.166 47.166 46.858 0.308 25284 5261 1 11 . 1 1 80 80 GLY H H 80 8.436 8.436 8.364 0.072 25284 5262 1 11 . 1 1 81 81 ALA N N 81 124.420 124.420 124.170 0.250 25284 5263 1 11 . 1 1 81 81 ALA HA H 81 4.460 4.460 4.182 0.278 25284 5264 1 11 . 1 1 81 81 ALA C C 81 179.892 179.892 179.646 0.246 25284 5265 1 11 . 1 1 81 81 ALA CA C 81 54.389 54.389 54.602 -0.214 25284 5266 1 11 . 1 1 81 81 ALA CB C 81 18.824 18.824 18.484 0.340 25284 5267 1 11 . 1 1 81 81 ALA H H 81 7.606 7.606 8.115 -0.509 25284 5268 1 11 . 1 1 82 82 LEU N N 82 120.239 120.239 120.114 0.125 25284 5269 1 11 . 1 1 82 82 LEU HA H 82 4.214 4.214 4.092 0.122 25284 5270 1 11 . 1 1 82 82 LEU C C 82 178.884 178.884 178.053 0.831 25284 5271 1 11 . 1 1 82 82 LEU CA C 82 57.098 57.098 57.329 -0.231 25284 5272 1 11 . 1 1 82 82 LEU CB C 82 42.739 42.739 41.829 0.910 25284 5273 1 11 . 1 1 82 82 LEU H H 82 8.285 8.285 8.266 0.019 25284 5274 1 11 . 1 1 83 83 ALA N N 83 121.614 121.614 121.634 -0.020 25284 5275 1 11 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.026 0.273 25284 5276 1 11 . 1 1 83 83 ALA C C 83 178.788 178.788 179.503 -0.715 25284 5277 1 11 . 1 1 83 83 ALA CA C 83 54.049 54.049 55.040 -0.991 25284 5278 1 11 . 1 1 83 83 ALA CB C 83 18.944 18.944 18.154 0.790 25284 5279 1 11 . 1 1 83 83 ALA H H 83 7.973 7.973 8.092 -0.119 25284 5280 1 11 . 1 1 84 84 GLU N N 84 117.412 117.412 117.414 -0.002 25284 5281 1 11 . 1 1 84 84 GLU HA H 84 4.385 4.385 4.326 0.059 25284 5282 1 11 . 1 1 84 84 GLU C C 84 176.406 176.406 177.494 -1.088 25284 5283 1 11 . 1 1 84 84 GLU CA C 84 56.872 56.872 57.194 -0.322 25284 5284 1 11 . 1 1 84 84 GLU CB C 84 29.773 29.773 29.851 -0.078 25284 5285 1 11 . 1 1 84 84 GLU H H 84 7.753 7.753 8.038 -0.285 25284 5286 1 11 . 1 1 85 85 ALA N N 85 124.256 124.256 121.027 3.229 25284 5287 1 11 . 1 1 85 85 ALA HA H 85 4.471 4.471 4.390 0.081 25284 5288 1 11 . 1 1 85 85 ALA C C 85 176.625 176.625 177.093 -0.468 25284 5289 1 11 . 1 1 85 85 ALA CA C 85 52.679 52.679 52.503 0.176 25284 5290 1 11 . 1 1 85 85 ALA CB C 85 19.702 19.702 20.001 -0.299 25284 5291 1 11 . 1 1 85 85 ALA H H 85 7.832 7.832 7.539 0.293 25284 5292 1 12 . 1 1 2 2 ALA HA H 2 4.279 4.279 4.872 -0.593 25284 5293 1 12 . 1 1 2 2 ALA C C 2 173.785 173.785 177.340 -3.555 25284 5294 1 12 . 1 1 2 2 ALA CA C 2 52.136 52.136 51.312 0.824 25284 5295 1 12 . 1 1 2 2 ALA CB C 2 20.083 20.083 20.469 -0.386 25284 5296 1 12 . 1 1 3 3 THR N N 3 117.799 117.799 114.260 3.539 25284 5297 1 12 . 1 1 3 3 THR HA H 3 4.398 4.398 4.242 0.156 25284 5298 1 12 . 1 1 3 3 THR C C 3 172.979 172.979 174.701 -1.722 25284 5299 1 12 . 1 1 3 3 THR CA C 3 62.907 62.907 62.267 0.640 25284 5300 1 12 . 1 1 3 3 THR CB C 3 70.082 70.082 68.902 1.180 25284 5301 1 12 . 1 1 3 3 THR H H 3 8.703 8.703 8.438 0.265 25284 5302 1 12 . 1 1 4 4 LEU N N 4 124.656 124.656 128.784 -4.128 25284 5303 1 12 . 1 1 4 4 LEU HA H 4 4.373 4.373 4.141 0.233 25284 5304 1 12 . 1 1 4 4 LEU C C 4 177.215 177.215 175.939 1.276 25284 5305 1 12 . 1 1 4 4 LEU CA C 4 54.852 54.852 55.512 -0.660 25284 5306 1 12 . 1 1 4 4 LEU CB C 4 42.864 42.864 42.906 -0.042 25284 5307 1 12 . 1 1 4 4 LEU H H 4 8.155 8.155 8.382 -0.227 25284 5308 1 12 . 1 1 5 5 LEU N N 5 124.772 124.772 127.210 -2.438 25284 5309 1 12 . 1 1 5 5 LEU HA H 5 4.530 4.530 4.425 0.105 25284 5310 1 12 . 1 1 5 5 LEU C C 5 177.915 177.915 177.097 0.818 25284 5311 1 12 . 1 1 5 5 LEU CA C 5 55.564 55.564 55.143 0.421 25284 5312 1 12 . 1 1 5 5 LEU CB C 5 42.806 42.806 42.239 0.567 25284 5313 1 12 . 1 1 5 5 LEU H H 5 9.421 9.421 8.798 0.623 25284 5314 1 12 . 1 1 6 6 THR N N 6 115.077 115.077 115.719 -0.642 25284 5315 1 12 . 1 1 6 6 THR HA H 6 4.745 4.745 4.709 0.036 25284 5316 1 12 . 1 1 6 6 THR C C 6 175.958 175.958 175.615 0.343 25284 5317 1 12 . 1 1 6 6 THR CA C 6 60.159 60.159 60.437 -0.278 25284 5318 1 12 . 1 1 6 6 THR CB C 6 72.442 72.442 70.567 1.875 25284 5319 1 12 . 1 1 6 6 THR H H 6 9.006 9.006 9.246 -0.240 25284 5320 1 12 . 1 1 7 7 THR N N 7 115.895 115.895 114.910 0.985 25284 5321 1 12 . 1 1 7 7 THR HA H 7 3.867 3.867 4.004 -0.137 25284 5322 1 12 . 1 1 7 7 THR C C 7 176.622 176.622 176.444 0.178 25284 5323 1 12 . 1 1 7 7 THR CA C 7 67.331 67.331 66.427 0.904 25284 5324 1 12 . 1 1 7 7 THR CB C 7 68.496 68.496 68.536 -0.040 25284 5325 1 12 . 1 1 7 7 THR H H 7 8.864 8.864 8.425 0.439 25284 5326 1 12 . 1 1 8 8 ASP N N 8 120.253 120.253 121.046 -0.793 25284 5327 1 12 . 1 1 8 8 ASP HA H 8 4.629 4.629 4.640 -0.011 25284 5328 1 12 . 1 1 8 8 ASP C C 8 178.593 178.593 177.761 0.832 25284 5329 1 12 . 1 1 8 8 ASP CA C 8 57.740 57.740 57.772 -0.032 25284 5330 1 12 . 1 1 8 8 ASP CB C 8 41.273 41.273 40.894 0.379 25284 5331 1 12 . 1 1 8 8 ASP H H 8 8.289 8.289 7.751 0.538 25284 5332 1 12 . 1 1 9 9 ASP N N 9 120.653 120.653 120.900 -0.247 25284 5333 1 12 . 1 1 9 9 ASP HA H 9 4.560 4.560 4.468 0.092 25284 5334 1 12 . 1 1 9 9 ASP C C 9 179.465 179.465 178.429 1.036 25284 5335 1 12 . 1 1 9 9 ASP CA C 9 57.608 57.608 57.609 -0.001 25284 5336 1 12 . 1 1 9 9 ASP CB C 9 41.559 41.559 41.003 0.556 25284 5337 1 12 . 1 1 9 9 ASP H H 9 7.916 7.916 7.779 0.137 25284 5338 1 12 . 1 1 10 10 LEU N N 10 121.585 121.585 121.011 0.574 25284 5339 1 12 . 1 1 10 10 LEU HA H 10 4.216 4.216 4.188 0.028 25284 5340 1 12 . 1 1 10 10 LEU C C 10 177.517 177.517 178.023 -0.506 25284 5341 1 12 . 1 1 10 10 LEU CA C 10 58.031 58.031 57.274 0.757 25284 5342 1 12 . 1 1 10 10 LEU CB C 10 42.146 42.146 42.061 0.085 25284 5343 1 12 . 1 1 10 10 LEU H H 10 8.086 8.086 7.680 0.406 25284 5344 1 12 . 1 1 11 11 ARG N N 11 120.099 120.099 119.633 0.466 25284 5345 1 12 . 1 1 11 11 ARG HA H 11 3.514 3.514 3.708 -0.194 25284 5346 1 12 . 1 1 11 11 ARG C C 11 177.769 177.769 178.398 -0.629 25284 5347 1 12 . 1 1 11 11 ARG CA C 11 60.715 60.715 60.249 0.466 25284 5348 1 12 . 1 1 11 11 ARG CB C 11 30.775 30.775 30.194 0.581 25284 5349 1 12 . 1 1 11 11 ARG H H 11 8.852 8.852 8.443 0.409 25284 5350 1 12 . 1 1 12 12 ARG N N 12 115.840 115.840 118.316 -2.476 25284 5351 1 12 . 1 1 12 12 ARG HA H 12 4.032 4.032 3.996 0.036 25284 5352 1 12 . 1 1 12 12 ARG C C 12 178.492 178.492 178.643 -0.151 25284 5353 1 12 . 1 1 12 12 ARG CA C 12 59.592 59.592 59.276 0.316 25284 5354 1 12 . 1 1 12 12 ARG CB C 12 30.583 30.583 30.062 0.521 25284 5355 1 12 . 1 1 12 12 ARG H H 12 7.996 7.996 7.963 0.033 25284 5356 1 12 . 1 1 13 13 ALA N N 13 120.184 120.184 122.212 -2.028 25284 5357 1 12 . 1 1 13 13 ALA HA H 13 4.401 4.401 4.425 -0.024 25284 5358 1 12 . 1 1 13 13 ALA C C 13 180.114 180.114 180.209 -0.095 25284 5359 1 12 . 1 1 13 13 ALA CA C 13 54.938 54.938 54.554 0.384 25284 5360 1 12 . 1 1 13 13 ALA CB C 13 18.756 18.756 18.707 0.049 25284 5361 1 12 . 1 1 13 13 ALA H H 13 7.705 7.705 7.557 0.148 25284 5362 1 12 . 1 1 14 14 LEU N N 14 119.427 119.427 121.361 -1.934 25284 5363 1 12 . 1 1 14 14 LEU HA H 14 4.424 4.424 4.327 0.097 25284 5364 1 12 . 1 1 14 14 LEU C C 14 179.766 179.766 179.268 0.498 25284 5365 1 12 . 1 1 14 14 LEU CA C 14 57.568 57.568 57.811 -0.243 25284 5366 1 12 . 1 1 14 14 LEU CB C 14 42.039 42.039 42.065 -0.026 25284 5367 1 12 . 1 1 14 14 LEU H H 14 8.424 8.424 8.657 -0.233 25284 5368 1 12 . 1 1 15 15 VAL N N 15 121.004 121.004 119.213 1.791 25284 5369 1 12 . 1 1 15 15 VAL HA H 15 3.920 3.920 3.614 0.306 25284 5370 1 12 . 1 1 15 15 VAL C C 15 179.014 179.014 178.923 0.091 25284 5371 1 12 . 1 1 15 15 VAL CA C 15 66.259 66.259 66.962 -0.703 25284 5372 1 12 . 1 1 15 15 VAL CB C 15 32.137 32.137 31.640 0.497 25284 5373 1 12 . 1 1 15 15 VAL H H 15 8.519 8.519 7.995 0.524 25284 5374 1 12 . 1 1 16 16 GLU N N 16 119.984 119.984 118.784 1.200 25284 5375 1 12 . 1 1 16 16 GLU HA H 16 4.206 4.206 3.995 0.211 25284 5376 1 12 . 1 1 16 16 GLU C C 16 178.547 178.547 178.086 0.461 25284 5377 1 12 . 1 1 16 16 GLU CA C 16 59.042 59.042 59.375 -0.333 25284 5378 1 12 . 1 1 16 16 GLU CB C 16 29.692 29.692 29.634 0.058 25284 5379 1 12 . 1 1 16 16 GLU H H 16 8.218 8.218 7.983 0.235 25284 5380 1 12 . 1 1 17 17 SER N N 17 113.928 113.928 111.651 2.277 25284 5381 1 12 . 1 1 17 17 SER HA H 17 4.577 4.577 4.343 0.234 25284 5382 1 12 . 1 1 17 17 SER C C 17 174.273 174.273 174.438 -0.165 25284 5383 1 12 . 1 1 17 17 SER CA C 17 59.940 59.940 59.403 0.537 25284 5384 1 12 . 1 1 17 17 SER CB C 17 64.378 64.378 63.610 0.768 25284 5385 1 12 . 1 1 17 17 SER H H 17 7.798 7.798 8.119 -0.321 25284 5386 1 12 . 1 1 18 18 ALA N N 18 123.357 123.357 125.434 -2.077 25284 5387 1 12 . 1 1 18 18 ALA HA H 18 4.347 4.347 4.127 0.220 25284 5388 1 12 . 1 1 18 18 ALA C C 18 178.292 178.292 177.487 0.805 25284 5389 1 12 . 1 1 18 18 ALA CA C 18 52.991 52.991 51.193 1.798 25284 5390 1 12 . 1 1 18 18 ALA CB C 18 19.965 19.965 18.078 1.887 25284 5391 1 12 . 1 1 18 18 ALA H H 18 7.813 7.813 7.119 0.694 25284 5392 1 12 . 1 1 19 19 GLY N N 19 107.711 107.711 110.829 -3.118 25284 5393 1 12 . 1 1 19 19 GLY C C 19 174.440 174.440 175.288 -0.848 25284 5394 1 12 . 1 1 19 19 GLY CA C 19 45.650 45.650 47.115 -1.465 25284 5395 1 12 . 1 1 19 19 GLY H H 19 8.256 8.256 7.955 0.301 25284 5396 1 12 . 1 1 20 20 GLU N N 20 120.763 120.763 118.169 2.594 25284 5397 1 12 . 1 1 20 20 GLU HA H 20 4.477 4.477 4.405 0.072 25284 5398 1 12 . 1 1 20 20 GLU C C 20 176.905 176.905 175.252 1.653 25284 5399 1 12 . 1 1 20 20 GLU CA C 20 56.896 56.896 55.906 0.990 25284 5400 1 12 . 1 1 20 20 GLU CB C 20 30.160 30.160 30.542 -0.382 25284 5401 1 12 . 1 1 20 20 GLU H H 20 8.508 8.508 8.261 0.247 25284 5402 1 12 . 1 1 21 21 THR N N 21 114.316 114.316 113.377 0.939 25284 5403 1 12 . 1 1 21 21 THR HA H 21 4.529 4.529 4.460 0.069 25284 5404 1 12 . 1 1 21 21 THR C C 21 174.564 174.564 174.052 0.512 25284 5405 1 12 . 1 1 21 21 THR CA C 21 61.942 61.942 62.456 -0.514 25284 5406 1 12 . 1 1 21 21 THR CB C 21 70.323 70.323 68.618 1.705 25284 5407 1 12 . 1 1 21 21 THR H H 21 8.258 8.258 7.748 0.510 25284 5408 1 12 . 1 1 22 22 ASP N N 22 122.479 122.479 118.911 3.568 25284 5409 1 12 . 1 1 22 22 ASP HA H 22 4.728 4.728 4.595 0.133 25284 5410 1 12 . 1 1 22 22 ASP C C 22 176.913 176.913 176.598 0.315 25284 5411 1 12 . 1 1 22 22 ASP CA C 22 54.806 54.806 53.724 1.082 25284 5412 1 12 . 1 1 22 22 ASP CB C 22 41.144 41.144 40.284 0.860 25284 5413 1 12 . 1 1 22 22 ASP H H 22 8.506 8.506 7.920 0.586 25284 5414 1 12 . 1 1 23 23 GLY N N 23 109.608 109.608 107.798 1.810 25284 5415 1 12 . 1 1 23 23 GLY C C 23 174.806 174.806 174.200 0.606 25284 5416 1 12 . 1 1 23 23 GLY CA C 23 45.969 45.969 44.891 1.078 25284 5417 1 12 . 1 1 23 23 GLY H H 23 8.503 8.503 7.991 0.512 25284 5418 1 12 . 1 1 24 24 THR N N 24 116.205 116.205 112.599 3.606 25284 5419 1 12 . 1 1 24 24 THR HA H 24 4.333 4.333 4.698 -0.365 25284 5420 1 12 . 1 1 24 24 THR C C 24 174.247 174.247 173.755 0.492 25284 5421 1 12 . 1 1 24 24 THR CA C 24 63.240 63.240 60.280 2.960 25284 5422 1 12 . 1 1 24 24 THR CB C 24 70.056 70.056 70.823 -0.767 25284 5423 1 12 . 1 1 24 24 THR H H 24 8.152 8.152 7.419 0.733 25284 5424 1 12 . 1 1 25 25 ASP N N 25 124.096 124.096 121.558 2.538 25284 5425 1 12 . 1 1 25 25 ASP HA H 25 4.718 4.718 4.765 -0.047 25284 5426 1 12 . 1 1 25 25 ASP C C 25 176.223 176.223 175.721 0.502 25284 5427 1 12 . 1 1 25 25 ASP CA C 25 54.536 54.536 54.066 0.470 25284 5428 1 12 . 1 1 25 25 ASP CB C 25 41.163 41.163 40.678 0.485 25284 5429 1 12 . 1 1 25 25 ASP H H 25 8.620 8.620 8.516 0.104 25284 5430 1 12 . 1 1 26 26 LEU N N 26 123.934 123.934 122.021 1.913 25284 5431 1 12 . 1 1 26 26 LEU HA H 26 4.365 4.365 4.187 0.178 25284 5432 1 12 . 1 1 26 26 LEU C C 26 176.356 176.356 175.354 1.002 25284 5433 1 12 . 1 1 26 26 LEU CA C 26 54.374 54.374 54.455 -0.081 25284 5434 1 12 . 1 1 26 26 LEU CB C 26 41.235 41.235 39.957 1.278 25284 5435 1 12 . 1 1 26 26 LEU H H 26 8.482 8.482 7.926 0.556 25284 5436 1 12 . 1 1 27 27 SER N N 27 115.330 115.330 114.430 0.900 25284 5437 1 12 . 1 1 27 27 SER HA H 27 4.300 4.300 4.450 -0.150 25284 5438 1 12 . 1 1 27 27 SER C C 27 175.077 175.077 174.522 0.555 25284 5439 1 12 . 1 1 27 27 SER CA C 27 59.917 59.917 57.328 2.589 25284 5440 1 12 . 1 1 27 27 SER CB C 27 64.229 64.229 64.221 0.008 25284 5441 1 12 . 1 1 27 27 SER H H 27 8.214 8.214 7.815 0.399 25284 5442 1 12 . 1 1 28 28 GLY N N 28 111.630 111.630 115.189 -3.559 25284 5443 1 12 . 1 1 28 28 GLY C C 28 174.303 174.303 173.897 0.406 25284 5444 1 12 . 1 1 28 28 GLY CA C 28 45.500 45.500 44.921 0.579 25284 5445 1 12 . 1 1 28 28 GLY H H 28 8.592 8.592 8.763 -0.171 25284 5446 1 12 . 1 1 29 29 ASP N N 29 123.552 123.552 125.434 -1.882 25284 5447 1 12 . 1 1 29 29 ASP HA H 29 4.851 4.851 4.839 0.012 25284 5448 1 12 . 1 1 29 29 ASP C C 29 176.494 176.494 176.322 0.172 25284 5449 1 12 . 1 1 29 29 ASP CA C 29 54.312 54.312 53.679 0.633 25284 5450 1 12 . 1 1 29 29 ASP CB C 29 39.771 39.771 39.782 -0.011 25284 5451 1 12 . 1 1 29 29 ASP H H 29 8.690 8.690 8.782 -0.092 25284 5452 1 12 . 1 1 30 30 PHE N N 30 122.578 122.578 119.789 2.789 25284 5453 1 12 . 1 1 30 30 PHE HA H 30 4.764 4.764 4.802 -0.038 25284 5454 1 12 . 1 1 30 30 PHE C C 30 175.529 175.529 175.760 -0.231 25284 5455 1 12 . 1 1 30 30 PHE CA C 30 57.493 57.493 56.376 1.117 25284 5456 1 12 . 1 1 30 30 PHE CB C 30 40.639 40.639 38.999 1.640 25284 5457 1 12 . 1 1 30 30 PHE H H 30 8.076 8.076 7.529 0.547 25284 5458 1 12 . 1 1 31 31 LEU N N 31 119.188 119.188 122.035 -2.847 25284 5459 1 12 . 1 1 31 31 LEU HA H 31 3.302 3.302 3.625 -0.323 25284 5460 1 12 . 1 1 31 31 LEU C C 31 176.503 176.503 177.207 -0.704 25284 5461 1 12 . 1 1 31 31 LEU CA C 31 57.940 57.940 56.284 1.656 25284 5462 1 12 . 1 1 31 31 LEU CB C 31 42.218 42.218 41.820 0.398 25284 5463 1 12 . 1 1 31 31 LEU H H 31 7.535 7.535 7.587 -0.052 25284 5464 1 12 . 1 1 32 32 ASP N N 32 112.101 112.101 115.875 -3.774 25284 5465 1 12 . 1 1 32 32 ASP HA H 32 5.047 5.047 4.482 0.565 25284 5466 1 12 . 1 1 32 32 ASP C C 32 176.064 176.064 175.953 0.111 25284 5467 1 12 . 1 1 32 32 ASP CA C 32 53.755 53.755 54.672 -0.917 25284 5468 1 12 . 1 1 32 32 ASP CB C 32 41.824 41.824 41.321 0.503 25284 5469 1 12 . 1 1 32 32 ASP H H 32 8.087 8.087 8.218 -0.131 25284 5470 1 12 . 1 1 33 33 LEU N N 33 122.380 122.380 121.998 0.382 25284 5471 1 12 . 1 1 33 33 LEU HA H 33 4.309 4.309 4.296 0.013 25284 5472 1 12 . 1 1 33 33 LEU C C 33 174.879 174.879 175.780 -0.901 25284 5473 1 12 . 1 1 33 33 LEU CA C 33 54.566 54.566 55.014 -0.448 25284 5474 1 12 . 1 1 33 33 LEU CB C 33 42.528 42.528 42.708 -0.180 25284 5475 1 12 . 1 1 33 33 LEU H H 33 7.222 7.222 7.315 -0.093 25284 5476 1 12 . 1 1 34 34 ARG N N 34 116.439 116.439 124.175 -7.736 25284 5477 1 12 . 1 1 34 34 ARG HA H 34 4.725 4.725 4.456 0.269 25284 5478 1 12 . 1 1 34 34 ARG C C 34 179.778 179.778 177.304 2.474 25284 5479 1 12 . 1 1 34 34 ARG CA C 34 55.536 55.536 55.596 -0.060 25284 5480 1 12 . 1 1 34 34 ARG CB C 34 30.173 30.173 31.239 -1.066 25284 5481 1 12 . 1 1 34 34 ARG H H 34 8.487 8.487 8.049 0.438 25284 5482 1 12 . 1 1 35 35 PHE N N 35 123.548 123.548 121.351 2.197 25284 5483 1 12 . 1 1 35 35 PHE HA H 35 4.385 4.385 4.106 0.279 25284 5484 1 12 . 1 1 35 35 PHE C C 35 178.776 178.776 177.557 1.219 25284 5485 1 12 . 1 1 35 35 PHE CA C 35 63.121 63.121 62.623 0.498 25284 5486 1 12 . 1 1 35 35 PHE CB C 35 37.967 37.967 38.449 -0.482 25284 5487 1 12 . 1 1 35 35 PHE H H 35 8.455 8.455 8.366 0.089 25284 5488 1 12 . 1 1 36 36 GLU N N 36 117.380 117.380 118.350 -0.970 25284 5489 1 12 . 1 1 36 36 GLU HA H 36 4.358 4.358 4.038 0.320 25284 5490 1 12 . 1 1 36 36 GLU C C 36 178.612 178.612 177.916 0.696 25284 5491 1 12 . 1 1 36 36 GLU CA C 36 59.145 59.145 59.156 -0.011 25284 5492 1 12 . 1 1 36 36 GLU CB C 36 29.301 29.301 29.400 -0.099 25284 5493 1 12 . 1 1 36 36 GLU H H 36 9.560 9.560 8.630 0.930 25284 5494 1 12 . 1 1 37 37 ASP N N 37 118.596 118.596 118.052 0.544 25284 5495 1 12 . 1 1 37 37 ASP HA H 37 4.810 4.810 4.624 0.186 25284 5496 1 12 . 1 1 37 37 ASP C C 37 177.993 177.993 177.950 0.043 25284 5497 1 12 . 1 1 37 37 ASP CA C 37 56.474 56.474 55.534 0.940 25284 5498 1 12 . 1 1 37 37 ASP CB C 37 41.411 41.411 41.323 0.088 25284 5499 1 12 . 1 1 37 37 ASP H H 37 7.546 7.546 7.767 -0.221 25284 5500 1 12 . 1 1 38 38 ILE N N 38 113.080 113.080 114.061 -0.981 25284 5501 1 12 . 1 1 38 38 ILE HA H 38 4.663 4.663 4.343 0.320 25284 5502 1 12 . 1 1 38 38 ILE C C 38 176.140 176.140 176.560 -0.420 25284 5503 1 12 . 1 1 38 38 ILE CA C 38 62.038 62.038 60.964 1.074 25284 5504 1 12 . 1 1 38 38 ILE CB C 38 38.755 38.755 37.425 1.330 25284 5505 1 12 . 1 1 38 38 ILE H H 38 7.725 7.725 7.450 0.275 25284 5506 1 12 . 1 1 39 39 GLY N N 39 107.376 107.376 108.889 -1.513 25284 5507 1 12 . 1 1 39 39 GLY C C 39 174.497 174.497 174.571 -0.074 25284 5508 1 12 . 1 1 39 39 GLY CA C 39 46.580 46.580 45.810 0.770 25284 5509 1 12 . 1 1 39 39 GLY H H 39 7.736 7.736 7.614 0.122 25284 5510 1 12 . 1 1 40 40 TYR N N 40 121.883 121.883 120.754 1.129 25284 5511 1 12 . 1 1 40 40 TYR HA H 40 4.583 4.583 4.504 0.079 25284 5512 1 12 . 1 1 40 40 TYR C C 40 174.479 174.479 175.353 -0.874 25284 5513 1 12 . 1 1 40 40 TYR CA C 40 58.153 58.153 58.869 -0.716 25284 5514 1 12 . 1 1 40 40 TYR CB C 40 40.535 40.535 38.459 2.076 25284 5515 1 12 . 1 1 40 40 TYR H H 40 8.059 8.059 8.275 -0.216 25284 5516 1 12 . 1 1 41 41 ASP N N 41 124.021 124.021 123.957 0.064 25284 5517 1 12 . 1 1 41 41 ASP HA H 41 4.739 4.739 4.906 -0.167 25284 5518 1 12 . 1 1 41 41 ASP C C 41 175.831 175.831 177.031 -1.200 25284 5519 1 12 . 1 1 41 41 ASP CA C 41 52.669 52.669 53.591 -0.922 25284 5520 1 12 . 1 1 41 41 ASP CB C 41 42.015 42.015 43.269 -1.254 25284 5521 1 12 . 1 1 41 41 ASP H H 41 7.992 7.992 8.352 -0.360 25284 5522 1 12 . 1 1 42 42 SER N N 42 114.198 114.198 116.366 -2.168 25284 5523 1 12 . 1 1 42 42 SER HA H 42 4.272 4.272 4.164 0.108 25284 5524 1 12 . 1 1 42 42 SER C C 42 176.102 176.102 176.909 -0.807 25284 5525 1 12 . 1 1 42 42 SER CA C 42 60.657 60.657 61.708 -1.050 25284 5526 1 12 . 1 1 42 42 SER CB C 42 66.110 66.110 62.760 3.350 25284 5527 1 12 . 1 1 43 43 LEU N N 43 124.254 124.254 121.855 2.399 25284 5528 1 12 . 1 1 43 43 LEU HA H 43 4.269 4.269 4.059 0.210 25284 5529 1 12 . 1 1 43 43 LEU C C 43 179.140 179.140 179.094 0.046 25284 5530 1 12 . 1 1 43 43 LEU CA C 43 58.567 58.567 57.586 0.982 25284 5531 1 12 . 1 1 43 43 LEU CB C 43 41.178 41.178 40.867 0.311 25284 5532 1 12 . 1 1 43 43 LEU H H 43 7.792 7.792 8.098 -0.306 25284 5533 1 12 . 1 1 44 44 ALA N N 44 123.473 123.473 121.134 2.339 25284 5534 1 12 . 1 1 44 44 ALA HA H 44 4.318 4.318 4.083 0.235 25284 5535 1 12 . 1 1 44 44 ALA C C 44 181.903 181.903 180.235 1.668 25284 5536 1 12 . 1 1 44 44 ALA CA C 44 55.068 55.068 54.891 0.177 25284 5537 1 12 . 1 1 44 44 ALA CB C 44 18.556 18.556 18.321 0.235 25284 5538 1 12 . 1 1 44 44 ALA H H 44 8.140 8.140 8.126 0.014 25284 5539 1 12 . 1 1 45 45 LEU N N 45 121.524 121.524 120.405 1.119 25284 5540 1 12 . 1 1 45 45 LEU HA H 45 3.898 3.898 4.195 -0.297 25284 5541 1 12 . 1 1 45 45 LEU C C 45 179.040 179.040 178.645 0.395 25284 5542 1 12 . 1 1 45 45 LEU CA C 45 58.475 58.475 57.656 0.820 25284 5543 1 12 . 1 1 45 45 LEU CB C 45 41.780 41.780 41.109 0.671 25284 5544 1 12 . 1 1 45 45 LEU H H 45 8.442 8.442 8.177 0.265 25284 5545 1 12 . 1 1 46 46 MET N N 46 119.769 119.769 118.134 1.635 25284 5546 1 12 . 1 1 46 46 MET HA H 46 4.265 4.265 4.033 0.232 25284 5547 1 12 . 1 1 46 46 MET C C 46 180.609 180.609 178.837 1.772 25284 5548 1 12 . 1 1 46 46 MET CA C 46 58.853 58.853 59.868 -1.015 25284 5549 1 12 . 1 1 46 46 MET CB C 46 32.119 32.119 32.178 -0.059 25284 5550 1 12 . 1 1 46 46 MET H H 46 8.234 8.234 7.874 0.360 25284 5551 1 12 . 1 1 47 47 GLU N N 47 121.097 121.097 117.780 3.317 25284 5552 1 12 . 1 1 47 47 GLU HA H 47 4.228 4.228 4.087 0.141 25284 5553 1 12 . 1 1 47 47 GLU C C 47 179.333 179.333 177.914 1.419 25284 5554 1 12 . 1 1 47 47 GLU CA C 47 59.644 59.644 58.912 0.732 25284 5555 1 12 . 1 1 47 47 GLU CB C 47 28.977 28.977 29.459 -0.482 25284 5556 1 12 . 1 1 47 47 GLU H H 47 8.517 8.517 8.241 0.276 25284 5557 1 12 . 1 1 48 48 THR N N 48 118.834 118.834 114.509 4.325 25284 5558 1 12 . 1 1 48 48 THR HA H 48 3.961 3.961 4.330 -0.369 25284 5559 1 12 . 1 1 48 48 THR C C 48 176.348 176.348 175.691 0.657 25284 5560 1 12 . 1 1 48 48 THR CA C 48 67.842 67.842 65.368 2.474 25284 5561 1 12 . 1 1 48 48 THR CB C 48 68.056 68.056 69.526 -1.470 25284 5562 1 12 . 1 1 48 48 THR H H 48 8.325 8.325 7.298 1.027 25284 5563 1 12 . 1 1 49 49 ALA N N 49 123.924 123.924 123.723 0.201 25284 5564 1 12 . 1 1 49 49 ALA HA H 49 3.926 3.926 4.107 -0.181 25284 5565 1 12 . 1 1 49 49 ALA C C 49 178.608 178.608 179.405 -0.797 25284 5566 1 12 . 1 1 49 49 ALA CA C 49 56.247 56.247 55.208 1.039 25284 5567 1 12 . 1 1 49 49 ALA CB C 49 17.569 17.569 18.242 -0.673 25284 5568 1 12 . 1 1 49 49 ALA H H 49 8.747 8.747 8.537 0.210 25284 5569 1 12 . 1 1 50 50 ALA N N 50 119.691 119.691 119.652 0.039 25284 5570 1 12 . 1 1 50 50 ALA HA H 50 4.269 4.269 4.402 -0.133 25284 5571 1 12 . 1 1 50 50 ALA C C 50 181.310 181.310 179.227 2.083 25284 5572 1 12 . 1 1 50 50 ALA CA C 50 55.422 55.422 54.392 1.030 25284 5573 1 12 . 1 1 50 50 ALA CB C 50 18.171 18.171 18.411 -0.240 25284 5574 1 12 . 1 1 50 50 ALA H H 50 8.245 8.245 8.465 -0.220 25284 5575 1 12 . 1 1 51 51 ARG N N 51 119.913 119.913 117.752 2.161 25284 5576 1 12 . 1 1 51 51 ARG HA H 51 4.247 4.247 4.256 -0.009 25284 5577 1 12 . 1 1 51 51 ARG C C 51 179.808 179.808 178.265 1.543 25284 5578 1 12 . 1 1 51 51 ARG CA C 51 59.673 59.673 58.383 1.290 25284 5579 1 12 . 1 1 51 51 ARG CB C 51 30.539 30.539 29.851 0.688 25284 5580 1 12 . 1 1 51 51 ARG H H 51 8.129 8.129 7.851 0.278 25284 5581 1 12 . 1 1 52 52 LEU N N 52 120.624 120.624 120.224 0.400 25284 5582 1 12 . 1 1 52 52 LEU HA H 52 4.319 4.319 4.437 -0.118 25284 5583 1 12 . 1 1 52 52 LEU C C 52 179.192 179.192 178.615 0.577 25284 5584 1 12 . 1 1 52 52 LEU CA C 52 58.253 58.253 57.563 0.690 25284 5585 1 12 . 1 1 52 52 LEU CB C 52 42.812 42.812 42.035 0.777 25284 5586 1 12 . 1 1 52 52 LEU H H 52 8.423 8.423 7.754 0.669 25284 5587 1 12 . 1 1 53 53 GLU N N 53 119.779 119.779 119.977 -0.198 25284 5588 1 12 . 1 1 53 53 GLU HA H 53 4.108 4.108 3.950 0.158 25284 5589 1 12 . 1 1 53 53 GLU C C 53 179.388 179.388 179.676 -0.288 25284 5590 1 12 . 1 1 53 53 GLU CA C 53 60.211 60.211 60.038 0.172 25284 5591 1 12 . 1 1 53 53 GLU CB C 53 29.143 29.143 29.455 -0.312 25284 5592 1 12 . 1 1 53 53 GLU H H 53 8.974 8.974 8.795 0.179 25284 5593 1 12 . 1 1 54 54 SER N N 54 113.169 113.169 114.750 -1.581 25284 5594 1 12 . 1 1 54 54 SER HA H 54 4.384 4.384 4.200 0.183 25284 5595 1 12 . 1 1 54 54 SER C C 54 176.953 176.953 175.947 1.006 25284 5596 1 12 . 1 1 54 54 SER CA C 54 61.279 61.279 61.699 -0.420 25284 5597 1 12 . 1 1 54 54 SER CB C 54 63.402 63.402 63.151 0.251 25284 5598 1 12 . 1 1 54 54 SER H H 54 8.037 8.037 8.046 -0.009 25284 5599 1 12 . 1 1 55 55 ARG N N 55 120.851 120.851 121.866 -1.015 25284 5600 1 12 . 1 1 55 55 ARG HA H 55 4.100 4.100 4.010 0.090 25284 5601 1 12 . 1 1 55 55 ARG C C 55 177.905 177.905 178.345 -0.440 25284 5602 1 12 . 1 1 55 55 ARG CA C 55 58.949 58.949 58.484 0.465 25284 5603 1 12 . 1 1 55 55 ARG CB C 55 30.896 30.896 30.328 0.568 25284 5604 1 12 . 1 1 55 55 ARG H H 55 8.099 8.099 7.434 0.665 25284 5605 1 12 . 1 1 56 56 TYR N N 56 113.669 113.669 116.276 -2.607 25284 5606 1 12 . 1 1 56 56 TYR HA H 56 4.687 4.687 4.501 0.186 25284 5607 1 12 . 1 1 56 56 TYR C C 56 176.069 176.069 176.592 -0.523 25284 5608 1 12 . 1 1 56 56 TYR CA C 56 59.055 59.055 59.354 -0.299 25284 5609 1 12 . 1 1 56 56 TYR CB C 56 39.465 39.465 39.474 -0.009 25284 5610 1 12 . 1 1 56 56 TYR H H 56 8.158 8.158 8.379 -0.221 25284 5611 1 12 . 1 1 57 57 GLY N N 57 109.856 109.856 108.151 1.705 25284 5612 1 12 . 1 1 57 57 GLY C C 57 174.642 174.642 173.220 1.422 25284 5613 1 12 . 1 1 57 57 GLY CA C 57 47.476 47.476 44.736 2.740 25284 5614 1 12 . 1 1 57 57 GLY H H 57 7.982 7.982 7.942 0.040 25284 5615 1 12 . 1 1 58 58 VAL N N 58 112.572 112.572 113.477 -0.905 25284 5616 1 12 . 1 1 58 58 VAL HA H 58 4.676 4.676 4.653 0.023 25284 5617 1 12 . 1 1 58 58 VAL C C 58 174.069 174.069 173.555 0.514 25284 5618 1 12 . 1 1 58 58 VAL CA C 58 59.313 59.313 59.295 0.018 25284 5619 1 12 . 1 1 58 58 VAL CB C 58 34.744 34.744 34.739 0.005 25284 5620 1 12 . 1 1 58 58 VAL H H 58 7.497 7.497 7.825 -0.328 25284 5621 1 12 . 1 1 59 59 SER N N 59 117.179 117.179 115.596 1.583 25284 5622 1 12 . 1 1 59 59 SER HA H 59 4.846 4.846 5.165 -0.319 25284 5623 1 12 . 1 1 59 59 SER C C 59 173.699 173.699 173.431 0.268 25284 5624 1 12 . 1 1 59 59 SER CA C 59 57.401 57.401 58.049 -0.648 25284 5625 1 12 . 1 1 59 59 SER CB C 59 64.502 64.502 65.052 -0.550 25284 5626 1 12 . 1 1 59 59 SER H H 59 8.489 8.489 8.213 0.276 25284 5627 1 12 . 1 1 60 60 ILE N N 60 125.858 125.858 125.562 0.296 25284 5628 1 12 . 1 1 60 60 ILE HA H 60 4.651 4.651 4.587 0.064 25284 5629 1 12 . 1 1 60 60 ILE CA C 60 57.694 57.694 58.142 -0.447 25284 5630 1 12 . 1 1 60 60 ILE CB C 60 40.500 40.500 40.931 -0.431 25284 5631 1 12 . 1 1 60 60 ILE H H 60 8.222 8.222 9.371 -1.149 25284 5632 1 12 . 1 1 61 61 PRO HA H 61 4.530 4.530 4.499 0.031 25284 5633 1 12 . 1 1 61 61 PRO C C 61 177.512 177.512 177.015 0.497 25284 5634 1 12 . 1 1 61 61 PRO CA C 61 63.561 63.561 62.714 0.847 25284 5635 1 12 . 1 1 61 61 PRO CB C 61 32.770 32.770 32.161 0.609 25284 5636 1 12 . 1 1 62 62 ASP N N 62 123.459 123.459 124.267 -0.808 25284 5637 1 12 . 1 1 62 62 ASP HA H 62 4.449 4.449 4.198 0.251 25284 5638 1 12 . 1 1 62 62 ASP C C 62 177.284 177.284 177.984 -0.700 25284 5639 1 12 . 1 1 62 62 ASP CA C 62 57.112 57.112 57.107 0.005 25284 5640 1 12 . 1 1 62 62 ASP CB C 62 40.740 40.740 40.266 0.474 25284 5641 1 12 . 1 1 62 62 ASP H H 62 8.831 8.831 8.737 0.094 25284 5642 1 12 . 1 1 63 63 ASP N N 63 116.794 116.794 119.199 -2.405 25284 5643 1 12 . 1 1 63 63 ASP HA H 63 4.529 4.529 4.359 0.170 25284 5644 1 12 . 1 1 63 63 ASP C C 63 177.294 177.294 177.645 -0.351 25284 5645 1 12 . 1 1 63 63 ASP CA C 63 54.956 54.956 56.799 -1.843 25284 5646 1 12 . 1 1 63 63 ASP CB C 63 39.687 39.687 40.662 -0.975 25284 5647 1 12 . 1 1 63 63 ASP H H 63 8.617 8.617 8.595 0.022 25284 5648 1 12 . 1 1 64 64 VAL N N 64 119.209 119.209 118.673 0.536 25284 5649 1 12 . 1 1 64 64 VAL HA H 64 3.812 3.812 3.937 -0.125 25284 5650 1 12 . 1 1 64 64 VAL C C 64 177.556 177.556 177.988 -0.432 25284 5651 1 12 . 1 1 64 64 VAL CA C 64 65.179 65.179 64.008 1.171 25284 5652 1 12 . 1 1 64 64 VAL CB C 64 32.413 32.413 32.001 0.412 25284 5653 1 12 . 1 1 64 64 VAL H H 64 7.407 7.407 7.564 -0.157 25284 5654 1 12 . 1 1 65 65 ALA N N 65 122.418 122.418 123.890 -1.472 25284 5655 1 12 . 1 1 65 65 ALA HA H 65 3.987 3.987 4.175 -0.188 25284 5656 1 12 . 1 1 65 65 ALA C C 65 177.994 177.994 178.948 -0.954 25284 5657 1 12 . 1 1 65 65 ALA CA C 65 54.842 54.842 54.875 -0.033 25284 5658 1 12 . 1 1 65 65 ALA CB C 65 18.522 18.522 18.377 0.145 25284 5659 1 12 . 1 1 65 65 ALA H H 65 8.246 8.246 7.591 0.655 25284 5660 1 12 . 1 1 66 66 GLY N N 66 100.378 100.378 104.137 -3.759 25284 5661 1 12 . 1 1 66 66 GLY C C 66 174.387 174.387 174.087 0.300 25284 5662 1 12 . 1 1 66 66 GLY CA C 66 46.015 46.015 45.141 0.874 25284 5663 1 12 . 1 1 66 66 GLY H H 66 8.021 8.021 7.894 0.127 25284 5664 1 12 . 1 1 67 67 ARG N N 67 116.838 116.838 120.580 -3.742 25284 5665 1 12 . 1 1 67 67 ARG HA H 67 4.623 4.623 4.396 0.227 25284 5666 1 12 . 1 1 67 67 ARG C C 67 176.509 176.509 176.056 0.453 25284 5667 1 12 . 1 1 67 67 ARG CA C 67 55.883 55.883 55.037 0.846 25284 5668 1 12 . 1 1 67 67 ARG CB C 67 31.911 31.911 30.814 1.097 25284 5669 1 12 . 1 1 67 67 ARG H H 67 7.483 7.483 7.711 -0.228 25284 5670 1 12 . 1 1 68 68 VAL N N 68 114.649 114.649 115.937 -1.288 25284 5671 1 12 . 1 1 68 68 VAL HA H 68 4.468 4.468 4.095 0.373 25284 5672 1 12 . 1 1 68 68 VAL C C 68 175.192 175.192 175.133 0.059 25284 5673 1 12 . 1 1 68 68 VAL CA C 68 61.819 61.819 61.273 0.546 25284 5674 1 12 . 1 1 68 68 VAL CB C 68 33.624 33.624 33.021 0.603 25284 5675 1 12 . 1 1 68 68 VAL H H 68 7.284 7.284 7.263 0.021 25284 5676 1 12 . 1 1 69 69 ASP N N 69 120.972 120.972 119.562 1.410 25284 5677 1 12 . 1 1 69 69 ASP HA H 69 5.264 5.264 4.936 0.328 25284 5678 1 12 . 1 1 69 69 ASP C C 69 176.970 176.970 175.718 1.252 25284 5679 1 12 . 1 1 69 69 ASP CA C 69 55.811 55.811 55.841 -0.030 25284 5680 1 12 . 1 1 69 69 ASP CB C 69 44.441 44.441 42.358 2.083 25284 5681 1 12 . 1 1 69 69 ASP H H 69 9.167 9.167 8.705 0.462 25284 5682 1 12 . 1 1 70 70 THR N N 70 108.311 108.311 108.363 -0.052 25284 5683 1 12 . 1 1 70 70 THR HA H 70 4.939 4.939 4.890 0.049 25284 5684 1 12 . 1 1 70 70 THR CA C 70 57.823 57.823 58.371 -0.548 25284 5685 1 12 . 1 1 70 70 THR CB C 70 71.412 71.412 70.893 0.519 25284 5686 1 12 . 1 1 70 70 THR H H 70 7.477 7.477 7.738 -0.261 25284 5687 1 12 . 1 1 71 71 PRO HA H 71 4.235 4.235 4.402 -0.167 25284 5688 1 12 . 1 1 71 71 PRO C C 71 177.422 177.422 177.714 -0.292 25284 5689 1 12 . 1 1 71 71 PRO CA C 71 66.002 66.002 65.572 0.430 25284 5690 1 12 . 1 1 71 71 PRO CB C 71 32.686 32.686 31.382 1.304 25284 5691 1 12 . 1 1 72 72 ARG N N 72 117.972 117.972 117.371 0.601 25284 5692 1 12 . 1 1 72 72 ARG HA H 72 3.609 3.609 4.046 -0.437 25284 5693 1 12 . 1 1 72 72 ARG C C 72 177.616 177.616 178.075 -0.459 25284 5694 1 12 . 1 1 72 72 ARG CA C 72 60.243 60.243 59.311 0.932 25284 5695 1 12 . 1 1 72 72 ARG CB C 72 30.524 30.524 29.521 1.003 25284 5696 1 12 . 1 1 72 72 ARG H H 72 9.016 9.016 8.067 0.949 25284 5697 1 12 . 1 1 73 73 GLU N N 73 116.790 116.790 120.470 -3.680 25284 5698 1 12 . 1 1 73 73 GLU HA H 73 4.242 4.242 4.147 0.095 25284 5699 1 12 . 1 1 73 73 GLU C C 73 180.200 180.200 178.796 1.404 25284 5700 1 12 . 1 1 73 73 GLU CA C 73 59.226 59.226 58.726 0.500 25284 5701 1 12 . 1 1 73 73 GLU CB C 73 30.069 30.069 29.140 0.930 25284 5702 1 12 . 1 1 73 73 GLU H H 73 7.838 7.838 7.799 0.039 25284 5703 1 12 . 1 1 74 74 LEU N N 74 120.656 120.656 121.692 -1.036 25284 5704 1 12 . 1 1 74 74 LEU HA H 74 4.313 4.313 4.115 0.198 25284 5705 1 12 . 1 1 74 74 LEU C C 74 177.023 177.023 178.581 -1.558 25284 5706 1 12 . 1 1 74 74 LEU CA C 74 58.179 58.179 57.442 0.737 25284 5707 1 12 . 1 1 74 74 LEU CB C 74 42.292 42.292 41.579 0.713 25284 5708 1 12 . 1 1 74 74 LEU H H 74 7.703 7.703 7.498 0.205 25284 5709 1 12 . 1 1 75 75 LEU N N 75 121.434 121.434 119.449 1.985 25284 5710 1 12 . 1 1 75 75 LEU HA H 75 3.894 3.894 4.007 -0.113 25284 5711 1 12 . 1 1 75 75 LEU C C 75 178.169 178.169 177.666 0.503 25284 5712 1 12 . 1 1 75 75 LEU CA C 75 58.562 58.562 58.050 0.512 25284 5713 1 12 . 1 1 75 75 LEU CB C 75 42.408 42.408 41.476 0.932 25284 5714 1 12 . 1 1 75 75 LEU H H 75 8.743 8.743 8.669 0.074 25284 5715 1 12 . 1 1 76 76 ASP N N 76 117.849 117.849 119.903 -2.054 25284 5716 1 12 . 1 1 76 76 ASP HA H 76 4.488 4.488 4.354 0.134 25284 5717 1 12 . 1 1 76 76 ASP C C 76 180.127 180.127 178.621 1.506 25284 5718 1 12 . 1 1 76 76 ASP CA C 76 57.487 57.487 57.533 -0.046 25284 5719 1 12 . 1 1 76 76 ASP CB C 76 40.085 40.085 40.775 -0.690 25284 5720 1 12 . 1 1 76 76 ASP H H 76 8.711 8.711 7.707 1.004 25284 5721 1 12 . 1 1 77 77 LEU N N 77 123.252 123.252 120.472 2.780 25284 5722 1 12 . 1 1 77 77 LEU HA H 77 4.303 4.303 3.963 0.340 25284 5723 1 12 . 1 1 77 77 LEU C C 77 180.621 180.621 179.179 1.442 25284 5724 1 12 . 1 1 77 77 LEU CA C 77 58.439 58.439 57.856 0.583 25284 5725 1 12 . 1 1 77 77 LEU CB C 77 42.905 42.905 41.866 1.039 25284 5726 1 12 . 1 1 77 77 LEU H H 77 8.009 8.009 7.545 0.464 25284 5727 1 12 . 1 1 78 78 ILE N N 78 120.216 120.216 120.152 0.064 25284 5728 1 12 . 1 1 78 78 ILE HA H 78 3.750 3.750 3.577 0.173 25284 5729 1 12 . 1 1 78 78 ILE C C 78 177.713 177.713 178.351 -0.638 25284 5730 1 12 . 1 1 78 78 ILE CA C 78 64.757 64.757 64.427 0.330 25284 5731 1 12 . 1 1 78 78 ILE CB C 78 37.402 37.402 36.476 0.926 25284 5732 1 12 . 1 1 78 78 ILE H H 78 8.294 8.294 8.136 0.158 25284 5733 1 12 . 1 1 79 79 ASN N N 79 118.191 118.191 118.151 0.040 25284 5734 1 12 . 1 1 79 79 ASN HA H 79 4.912 4.912 4.468 0.444 25284 5735 1 12 . 1 1 79 79 ASN C C 79 179.524 179.524 178.285 1.239 25284 5736 1 12 . 1 1 79 79 ASN CA C 79 55.473 55.473 56.094 -0.621 25284 5737 1 12 . 1 1 79 79 ASN CB C 79 37.331 37.331 37.880 -0.549 25284 5738 1 12 . 1 1 79 79 ASN H H 79 8.887 8.887 8.724 0.163 25284 5739 1 12 . 1 1 80 80 GLY N N 80 110.387 110.387 107.986 2.401 25284 5740 1 12 . 1 1 80 80 GLY C C 80 175.783 175.783 175.443 0.340 25284 5741 1 12 . 1 1 80 80 GLY CA C 80 47.166 47.166 46.829 0.337 25284 5742 1 12 . 1 1 80 80 GLY H H 80 8.436 8.436 8.290 0.146 25284 5743 1 12 . 1 1 81 81 ALA N N 81 124.420 124.420 124.981 -0.561 25284 5744 1 12 . 1 1 81 81 ALA HA H 81 4.460 4.460 4.589 -0.129 25284 5745 1 12 . 1 1 81 81 ALA C C 81 179.892 179.892 179.272 0.620 25284 5746 1 12 . 1 1 81 81 ALA CA C 81 54.389 54.389 53.801 0.588 25284 5747 1 12 . 1 1 81 81 ALA CB C 81 18.824 18.824 18.660 0.164 25284 5748 1 12 . 1 1 81 81 ALA H H 81 7.606 7.606 7.866 -0.260 25284 5749 1 12 . 1 1 82 82 LEU N N 82 120.239 120.239 120.576 -0.337 25284 5750 1 12 . 1 1 82 82 LEU HA H 82 4.214 4.214 4.142 0.072 25284 5751 1 12 . 1 1 82 82 LEU C C 82 178.884 178.884 178.237 0.647 25284 5752 1 12 . 1 1 82 82 LEU CA C 82 57.098 57.098 57.058 0.040 25284 5753 1 12 . 1 1 82 82 LEU CB C 82 42.739 42.739 41.760 0.980 25284 5754 1 12 . 1 1 82 82 LEU H H 82 8.285 8.285 8.184 0.101 25284 5755 1 12 . 1 1 83 83 ALA N N 83 121.614 121.614 120.773 0.841 25284 5756 1 12 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.038 0.261 25284 5757 1 12 . 1 1 83 83 ALA C C 83 178.788 178.788 179.701 -0.913 25284 5758 1 12 . 1 1 83 83 ALA CA C 83 54.049 54.049 54.867 -0.818 25284 5759 1 12 . 1 1 83 83 ALA CB C 83 18.944 18.944 18.166 0.778 25284 5760 1 12 . 1 1 83 83 ALA H H 83 7.973 7.973 7.809 0.164 25284 5761 1 12 . 1 1 84 84 GLU N N 84 117.412 117.412 118.704 -1.292 25284 5762 1 12 . 1 1 84 84 GLU HA H 84 4.385 4.385 4.077 0.308 25284 5763 1 12 . 1 1 84 84 GLU C C 84 176.406 176.406 178.268 -1.862 25284 5764 1 12 . 1 1 84 84 GLU CA C 84 56.872 56.872 58.325 -1.453 25284 5765 1 12 . 1 1 84 84 GLU CB C 84 29.773 29.773 29.575 0.198 25284 5766 1 12 . 1 1 84 84 GLU H H 84 7.753 7.753 7.780 -0.027 25284 5767 1 12 . 1 1 85 85 ALA N N 85 124.256 124.256 120.668 3.588 25284 5768 1 12 . 1 1 85 85 ALA HA H 85 4.471 4.471 4.188 0.283 25284 5769 1 12 . 1 1 85 85 ALA C C 85 176.625 176.625 177.032 -0.407 25284 5770 1 12 . 1 1 85 85 ALA CA C 85 52.679 52.679 52.285 0.395 25284 5771 1 12 . 1 1 85 85 ALA CB C 85 19.702 19.702 19.323 0.379 25284 5772 1 12 . 1 1 85 85 ALA H H 85 7.832 7.832 7.436 0.396 25284 5773 1 13 . 1 1 2 2 ALA HA H 2 4.279 4.279 4.800 -0.521 25284 5774 1 13 . 1 1 2 2 ALA C C 2 173.785 173.785 177.321 -3.536 25284 5775 1 13 . 1 1 2 2 ALA CA C 2 52.136 52.136 51.950 0.186 25284 5776 1 13 . 1 1 2 2 ALA CB C 2 20.083 20.083 21.120 -1.037 25284 5777 1 13 . 1 1 3 3 THR N N 3 117.799 117.799 120.001 -2.202 25284 5778 1 13 . 1 1 3 3 THR HA H 3 4.398 4.398 4.323 0.075 25284 5779 1 13 . 1 1 3 3 THR C C 3 172.979 172.979 174.097 -1.118 25284 5780 1 13 . 1 1 3 3 THR CA C 3 62.907 62.907 62.319 0.588 25284 5781 1 13 . 1 1 3 3 THR CB C 3 70.082 70.082 68.087 1.995 25284 5782 1 13 . 1 1 3 3 THR H H 3 8.703 8.703 8.488 0.215 25284 5783 1 13 . 1 1 4 4 LEU N N 4 124.656 124.656 123.882 0.774 25284 5784 1 13 . 1 1 4 4 LEU HA H 4 4.373 4.373 4.440 -0.067 25284 5785 1 13 . 1 1 4 4 LEU C C 4 177.215 177.215 175.643 1.572 25284 5786 1 13 . 1 1 4 4 LEU CA C 4 54.852 54.852 53.166 1.686 25284 5787 1 13 . 1 1 4 4 LEU CB C 4 42.864 42.864 44.806 -1.942 25284 5788 1 13 . 1 1 4 4 LEU H H 4 8.155 8.155 7.632 0.523 25284 5789 1 13 . 1 1 5 5 LEU N N 5 124.772 124.772 124.907 -0.135 25284 5790 1 13 . 1 1 5 5 LEU HA H 5 4.530 4.530 4.413 0.117 25284 5791 1 13 . 1 1 5 5 LEU C C 5 177.915 177.915 176.796 1.119 25284 5792 1 13 . 1 1 5 5 LEU CA C 5 55.564 55.564 54.778 0.786 25284 5793 1 13 . 1 1 5 5 LEU CB C 5 42.806 42.806 41.195 1.611 25284 5794 1 13 . 1 1 5 5 LEU H H 5 9.421 9.421 8.347 1.074 25284 5795 1 13 . 1 1 6 6 THR N N 6 115.077 115.077 116.485 -1.408 25284 5796 1 13 . 1 1 6 6 THR HA H 6 4.745 4.745 4.567 0.178 25284 5797 1 13 . 1 1 6 6 THR C C 6 175.958 175.958 175.517 0.441 25284 5798 1 13 . 1 1 6 6 THR CA C 6 60.159 60.159 60.899 -0.740 25284 5799 1 13 . 1 1 6 6 THR CB C 6 72.442 72.442 70.313 2.129 25284 5800 1 13 . 1 1 6 6 THR H H 6 9.006 9.006 9.403 -0.397 25284 5801 1 13 . 1 1 7 7 THR N N 7 115.895 115.895 114.476 1.419 25284 5802 1 13 . 1 1 7 7 THR HA H 7 3.867 3.867 4.118 -0.251 25284 5803 1 13 . 1 1 7 7 THR C C 7 176.622 176.622 176.331 0.291 25284 5804 1 13 . 1 1 7 7 THR CA C 7 67.331 67.331 67.753 -0.422 25284 5805 1 13 . 1 1 7 7 THR CB C 7 68.496 68.496 68.424 0.072 25284 5806 1 13 . 1 1 7 7 THR H H 7 8.864 8.864 8.490 0.374 25284 5807 1 13 . 1 1 8 8 ASP N N 8 120.253 120.253 121.382 -1.129 25284 5808 1 13 . 1 1 8 8 ASP HA H 8 4.629 4.629 4.457 0.172 25284 5809 1 13 . 1 1 8 8 ASP C C 8 178.593 178.593 177.591 1.002 25284 5810 1 13 . 1 1 8 8 ASP CA C 8 57.740 57.740 57.791 -0.051 25284 5811 1 13 . 1 1 8 8 ASP CB C 8 41.273 41.273 40.908 0.365 25284 5812 1 13 . 1 1 8 8 ASP H H 8 8.289 8.289 8.116 0.173 25284 5813 1 13 . 1 1 9 9 ASP N N 9 120.653 120.653 120.296 0.357 25284 5814 1 13 . 1 1 9 9 ASP HA H 9 4.560 4.560 4.385 0.175 25284 5815 1 13 . 1 1 9 9 ASP C C 9 179.465 179.465 178.770 0.695 25284 5816 1 13 . 1 1 9 9 ASP CA C 9 57.608 57.608 57.527 0.081 25284 5817 1 13 . 1 1 9 9 ASP CB C 9 41.559 41.559 40.957 0.602 25284 5818 1 13 . 1 1 9 9 ASP H H 9 7.916 7.916 7.550 0.366 25284 5819 1 13 . 1 1 10 10 LEU N N 10 121.585 121.585 121.132 0.453 25284 5820 1 13 . 1 1 10 10 LEU HA H 10 4.216 4.216 4.098 0.118 25284 5821 1 13 . 1 1 10 10 LEU C C 10 177.517 177.517 178.213 -0.696 25284 5822 1 13 . 1 1 10 10 LEU CA C 10 58.031 58.031 57.842 0.189 25284 5823 1 13 . 1 1 10 10 LEU CB C 10 42.146 42.146 42.074 0.072 25284 5824 1 13 . 1 1 10 10 LEU H H 10 8.086 8.086 8.289 -0.203 25284 5825 1 13 . 1 1 11 11 ARG N N 11 120.099 120.099 119.189 0.910 25284 5826 1 13 . 1 1 11 11 ARG HA H 11 3.514 3.514 3.563 -0.049 25284 5827 1 13 . 1 1 11 11 ARG C C 11 177.769 177.769 178.429 -0.660 25284 5828 1 13 . 1 1 11 11 ARG CA C 11 60.715 60.715 59.700 1.015 25284 5829 1 13 . 1 1 11 11 ARG CB C 11 30.775 30.775 29.752 1.023 25284 5830 1 13 . 1 1 11 11 ARG H H 11 8.852 8.852 8.186 0.666 25284 5831 1 13 . 1 1 12 12 ARG N N 12 115.840 115.840 118.347 -2.507 25284 5832 1 13 . 1 1 12 12 ARG HA H 12 4.032 4.032 3.996 0.036 25284 5833 1 13 . 1 1 12 12 ARG C C 12 178.492 178.492 178.529 -0.037 25284 5834 1 13 . 1 1 12 12 ARG CA C 12 59.592 59.592 59.109 0.483 25284 5835 1 13 . 1 1 12 12 ARG CB C 12 30.583 30.583 29.911 0.672 25284 5836 1 13 . 1 1 12 12 ARG H H 12 7.996 7.996 7.950 0.046 25284 5837 1 13 . 1 1 13 13 ALA N N 13 120.184 120.184 124.042 -3.858 25284 5838 1 13 . 1 1 13 13 ALA HA H 13 4.401 4.401 4.158 0.243 25284 5839 1 13 . 1 1 13 13 ALA C C 13 180.114 180.114 179.456 0.658 25284 5840 1 13 . 1 1 13 13 ALA CA C 13 54.938 54.938 55.224 -0.286 25284 5841 1 13 . 1 1 13 13 ALA CB C 13 18.756 18.756 18.535 0.221 25284 5842 1 13 . 1 1 13 13 ALA H H 13 7.705 7.705 7.763 -0.058 25284 5843 1 13 . 1 1 14 14 LEU N N 14 119.427 119.427 118.353 1.074 25284 5844 1 13 . 1 1 14 14 LEU HA H 14 4.424 4.424 4.353 0.071 25284 5845 1 13 . 1 1 14 14 LEU C C 14 179.766 179.766 179.760 0.006 25284 5846 1 13 . 1 1 14 14 LEU CA C 14 57.568 57.568 57.098 0.470 25284 5847 1 13 . 1 1 14 14 LEU CB C 14 42.039 42.039 40.536 1.503 25284 5848 1 13 . 1 1 14 14 LEU H H 14 8.424 8.424 8.248 0.176 25284 5849 1 13 . 1 1 15 15 VAL N N 15 121.004 121.004 120.500 0.504 25284 5850 1 13 . 1 1 15 15 VAL HA H 15 3.920 3.920 3.586 0.334 25284 5851 1 13 . 1 1 15 15 VAL C C 15 179.014 179.014 177.845 1.169 25284 5852 1 13 . 1 1 15 15 VAL CA C 15 66.259 66.259 67.497 -1.238 25284 5853 1 13 . 1 1 15 15 VAL CB C 15 32.137 32.137 31.353 0.784 25284 5854 1 13 . 1 1 15 15 VAL H H 15 8.519 8.519 8.029 0.490 25284 5855 1 13 . 1 1 16 16 GLU N N 16 119.984 119.984 119.522 0.462 25284 5856 1 13 . 1 1 16 16 GLU HA H 16 4.206 4.206 3.895 0.311 25284 5857 1 13 . 1 1 16 16 GLU C C 16 178.547 178.547 179.219 -0.672 25284 5858 1 13 . 1 1 16 16 GLU CA C 16 59.042 59.042 59.594 -0.552 25284 5859 1 13 . 1 1 16 16 GLU CB C 16 29.692 29.692 29.507 0.185 25284 5860 1 13 . 1 1 16 16 GLU H H 16 8.218 8.218 8.413 -0.195 25284 5861 1 13 . 1 1 17 17 SER N N 17 113.928 113.928 114.690 -0.762 25284 5862 1 13 . 1 1 17 17 SER HA H 17 4.577 4.577 4.276 0.301 25284 5863 1 13 . 1 1 17 17 SER C C 17 174.273 174.273 176.128 -1.855 25284 5864 1 13 . 1 1 17 17 SER CA C 17 59.940 59.940 60.898 -0.958 25284 5865 1 13 . 1 1 17 17 SER CB C 17 64.378 64.378 63.165 1.213 25284 5866 1 13 . 1 1 17 17 SER H H 17 7.798 7.798 8.450 -0.652 25284 5867 1 13 . 1 1 18 18 ALA N N 18 123.357 123.357 123.277 0.080 25284 5868 1 13 . 1 1 18 18 ALA HA H 18 4.347 4.347 4.108 0.239 25284 5869 1 13 . 1 1 18 18 ALA C C 18 178.292 178.292 178.261 0.031 25284 5870 1 13 . 1 1 18 18 ALA CA C 18 52.991 52.991 53.238 -0.247 25284 5871 1 13 . 1 1 18 18 ALA CB C 18 19.965 19.965 19.174 0.791 25284 5872 1 13 . 1 1 18 18 ALA H H 18 7.813 7.813 7.766 0.047 25284 5873 1 13 . 1 1 19 19 GLY N N 19 107.711 107.711 108.340 -0.629 25284 5874 1 13 . 1 1 19 19 GLY C C 19 174.440 174.440 174.269 0.171 25284 5875 1 13 . 1 1 19 19 GLY CA C 19 45.650 45.650 45.762 -0.112 25284 5876 1 13 . 1 1 19 19 GLY H H 19 8.256 8.256 8.551 -0.295 25284 5877 1 13 . 1 1 20 20 GLU N N 20 120.763 120.763 123.659 -2.896 25284 5878 1 13 . 1 1 20 20 GLU HA H 20 4.477 4.477 4.715 -0.238 25284 5879 1 13 . 1 1 20 20 GLU C C 20 176.905 176.905 175.802 1.103 25284 5880 1 13 . 1 1 20 20 GLU CA C 20 56.896 56.896 55.493 1.403 25284 5881 1 13 . 1 1 20 20 GLU CB C 20 30.160 30.160 30.020 0.140 25284 5882 1 13 . 1 1 20 20 GLU H H 20 8.508 8.508 8.535 -0.027 25284 5883 1 13 . 1 1 21 21 THR N N 21 114.316 114.316 116.913 -2.597 25284 5884 1 13 . 1 1 21 21 THR HA H 21 4.529 4.529 4.380 0.149 25284 5885 1 13 . 1 1 21 21 THR C C 21 174.564 174.564 173.168 1.396 25284 5886 1 13 . 1 1 21 21 THR CA C 21 61.942 61.942 61.972 -0.030 25284 5887 1 13 . 1 1 21 21 THR CB C 21 70.323 70.323 70.204 0.119 25284 5888 1 13 . 1 1 21 21 THR H H 21 8.258 8.258 8.260 -0.002 25284 5889 1 13 . 1 1 22 22 ASP N N 22 122.479 122.479 123.107 -0.628 25284 5890 1 13 . 1 1 22 22 ASP HA H 22 4.728 4.728 4.731 -0.003 25284 5891 1 13 . 1 1 22 22 ASP C C 22 176.913 176.913 176.355 0.558 25284 5892 1 13 . 1 1 22 22 ASP CA C 22 54.806 54.806 53.906 0.900 25284 5893 1 13 . 1 1 22 22 ASP CB C 22 41.144 41.144 40.622 0.522 25284 5894 1 13 . 1 1 22 22 ASP H H 22 8.506 8.506 8.521 -0.015 25284 5895 1 13 . 1 1 23 23 GLY N N 23 109.608 109.608 111.620 -2.012 25284 5896 1 13 . 1 1 23 23 GLY C C 23 174.806 174.806 174.367 0.439 25284 5897 1 13 . 1 1 23 23 GLY CA C 23 45.969 45.969 44.786 1.183 25284 5898 1 13 . 1 1 23 23 GLY H H 23 8.503 8.503 8.044 0.459 25284 5899 1 13 . 1 1 24 24 THR N N 24 116.205 116.205 114.291 1.914 25284 5900 1 13 . 1 1 24 24 THR HA H 24 4.333 4.333 4.409 -0.076 25284 5901 1 13 . 1 1 24 24 THR C C 24 174.247 174.247 174.076 0.171 25284 5902 1 13 . 1 1 24 24 THR CA C 24 63.240 63.240 61.083 2.157 25284 5903 1 13 . 1 1 24 24 THR CB C 24 70.056 70.056 69.762 0.294 25284 5904 1 13 . 1 1 24 24 THR H H 24 8.152 8.152 8.285 -0.133 25284 5905 1 13 . 1 1 25 25 ASP N N 25 124.096 124.096 120.083 4.013 25284 5906 1 13 . 1 1 25 25 ASP HA H 25 4.718 4.718 4.640 0.078 25284 5907 1 13 . 1 1 25 25 ASP C C 25 176.223 176.223 175.402 0.821 25284 5908 1 13 . 1 1 25 25 ASP CA C 25 54.536 54.536 54.202 0.334 25284 5909 1 13 . 1 1 25 25 ASP CB C 25 41.163 41.163 41.710 -0.547 25284 5910 1 13 . 1 1 25 25 ASP H H 25 8.620 8.620 8.447 0.173 25284 5911 1 13 . 1 1 26 26 LEU N N 26 123.934 123.934 124.968 -1.034 25284 5912 1 13 . 1 1 26 26 LEU HA H 26 4.365 4.365 4.545 -0.180 25284 5913 1 13 . 1 1 26 26 LEU C C 26 176.356 176.356 175.311 1.045 25284 5914 1 13 . 1 1 26 26 LEU CA C 26 54.374 54.374 54.273 0.101 25284 5915 1 13 . 1 1 26 26 LEU CB C 26 41.235 41.235 42.864 -1.629 25284 5916 1 13 . 1 1 26 26 LEU H H 26 8.482 8.482 8.331 0.151 25284 5917 1 13 . 1 1 27 27 SER N N 27 115.330 115.330 115.662 -0.332 25284 5918 1 13 . 1 1 27 27 SER HA H 27 4.300 4.300 4.461 -0.161 25284 5919 1 13 . 1 1 27 27 SER C C 27 175.077 175.077 175.477 -0.400 25284 5920 1 13 . 1 1 27 27 SER CA C 27 59.917 59.917 58.514 1.403 25284 5921 1 13 . 1 1 27 27 SER CB C 27 64.229 64.229 64.113 0.116 25284 5922 1 13 . 1 1 27 27 SER H H 27 8.214 8.214 8.092 0.122 25284 5923 1 13 . 1 1 28 28 GLY N N 28 111.630 111.630 115.884 -4.254 25284 5924 1 13 . 1 1 28 28 GLY C C 28 174.303 174.303 174.706 -0.403 25284 5925 1 13 . 1 1 28 28 GLY CA C 28 45.500 45.500 45.928 -0.428 25284 5926 1 13 . 1 1 28 28 GLY H H 28 8.592 8.592 8.792 -0.200 25284 5927 1 13 . 1 1 29 29 ASP N N 29 123.552 123.552 124.976 -1.424 25284 5928 1 13 . 1 1 29 29 ASP HA H 29 4.851 4.851 4.731 0.120 25284 5929 1 13 . 1 1 29 29 ASP C C 29 176.494 176.494 175.579 0.915 25284 5930 1 13 . 1 1 29 29 ASP CA C 29 54.312 54.312 54.375 -0.063 25284 5931 1 13 . 1 1 29 29 ASP CB C 29 39.771 39.771 39.395 0.376 25284 5932 1 13 . 1 1 29 29 ASP H H 29 8.690 8.690 8.380 0.310 25284 5933 1 13 . 1 1 30 30 PHE N N 30 122.578 122.578 120.328 2.250 25284 5934 1 13 . 1 1 30 30 PHE HA H 30 4.764 4.764 4.626 0.138 25284 5935 1 13 . 1 1 30 30 PHE C C 30 175.529 175.529 175.854 -0.325 25284 5936 1 13 . 1 1 30 30 PHE CA C 30 57.493 57.493 56.923 0.570 25284 5937 1 13 . 1 1 30 30 PHE CB C 30 40.639 40.639 39.173 1.466 25284 5938 1 13 . 1 1 30 30 PHE H H 30 8.076 8.076 8.172 -0.096 25284 5939 1 13 . 1 1 31 31 LEU N N 31 119.188 119.188 122.612 -3.424 25284 5940 1 13 . 1 1 31 31 LEU HA H 31 3.302 3.302 3.449 -0.147 25284 5941 1 13 . 1 1 31 31 LEU C C 31 176.503 176.503 176.771 -0.268 25284 5942 1 13 . 1 1 31 31 LEU CA C 31 57.940 57.940 56.599 1.341 25284 5943 1 13 . 1 1 31 31 LEU CB C 31 42.218 42.218 41.563 0.655 25284 5944 1 13 . 1 1 31 31 LEU H H 31 7.535 7.535 7.650 -0.115 25284 5945 1 13 . 1 1 32 32 ASP N N 32 112.101 112.101 115.761 -3.660 25284 5946 1 13 . 1 1 32 32 ASP HA H 32 5.047 5.047 4.562 0.485 25284 5947 1 13 . 1 1 32 32 ASP C C 32 176.064 176.064 175.593 0.471 25284 5948 1 13 . 1 1 32 32 ASP CA C 32 53.755 53.755 53.593 0.162 25284 5949 1 13 . 1 1 32 32 ASP CB C 32 41.824 41.824 40.895 0.929 25284 5950 1 13 . 1 1 32 32 ASP H H 32 8.087 8.087 8.164 -0.077 25284 5951 1 13 . 1 1 33 33 LEU N N 33 122.380 122.380 120.994 1.386 25284 5952 1 13 . 1 1 33 33 LEU HA H 33 4.309 4.309 4.474 -0.165 25284 5953 1 13 . 1 1 33 33 LEU C C 33 174.879 174.879 175.169 -0.290 25284 5954 1 13 . 1 1 33 33 LEU CA C 33 54.566 54.566 54.306 0.260 25284 5955 1 13 . 1 1 33 33 LEU CB C 33 42.528 42.528 44.641 -2.112 25284 5956 1 13 . 1 1 33 33 LEU H H 33 7.222 7.222 7.274 -0.052 25284 5957 1 13 . 1 1 34 34 ARG N N 34 116.439 116.439 118.348 -1.909 25284 5958 1 13 . 1 1 34 34 ARG HA H 34 4.725 4.725 4.874 -0.149 25284 5959 1 13 . 1 1 34 34 ARG C C 34 179.778 179.778 177.948 1.830 25284 5960 1 13 . 1 1 34 34 ARG CA C 34 55.536 55.536 54.467 1.069 25284 5961 1 13 . 1 1 34 34 ARG CB C 34 30.173 30.173 31.791 -1.618 25284 5962 1 13 . 1 1 34 34 ARG H H 34 8.487 8.487 7.921 0.566 25284 5963 1 13 . 1 1 35 35 PHE N N 35 123.548 123.548 121.600 1.948 25284 5964 1 13 . 1 1 35 35 PHE HA H 35 4.385 4.385 4.103 0.282 25284 5965 1 13 . 1 1 35 35 PHE C C 35 178.776 178.776 177.704 1.072 25284 5966 1 13 . 1 1 35 35 PHE CA C 35 63.121 63.121 63.189 -0.068 25284 5967 1 13 . 1 1 35 35 PHE CB C 35 37.967 37.967 38.742 -0.775 25284 5968 1 13 . 1 1 35 35 PHE H H 35 8.455 8.455 9.232 -0.777 25284 5969 1 13 . 1 1 36 36 GLU N N 36 117.380 117.380 117.888 -0.508 25284 5970 1 13 . 1 1 36 36 GLU HA H 36 4.358 4.358 4.133 0.225 25284 5971 1 13 . 1 1 36 36 GLU C C 36 178.612 178.612 178.894 -0.282 25284 5972 1 13 . 1 1 36 36 GLU CA C 36 59.145 59.145 58.958 0.187 25284 5973 1 13 . 1 1 36 36 GLU CB C 36 29.301 29.301 28.891 0.410 25284 5974 1 13 . 1 1 36 36 GLU H H 36 9.560 9.560 8.866 0.694 25284 5975 1 13 . 1 1 37 37 ASP N N 37 118.596 118.596 120.225 -1.629 25284 5976 1 13 . 1 1 37 37 ASP HA H 37 4.810 4.810 4.544 0.266 25284 5977 1 13 . 1 1 37 37 ASP C C 37 177.993 177.993 177.624 0.369 25284 5978 1 13 . 1 1 37 37 ASP CA C 37 56.474 56.474 56.491 -0.017 25284 5979 1 13 . 1 1 37 37 ASP CB C 37 41.411 41.411 41.270 0.141 25284 5980 1 13 . 1 1 37 37 ASP H H 37 7.546 7.546 7.883 -0.337 25284 5981 1 13 . 1 1 38 38 ILE N N 38 113.080 113.080 111.382 1.698 25284 5982 1 13 . 1 1 38 38 ILE HA H 38 4.663 4.663 4.523 0.140 25284 5983 1 13 . 1 1 38 38 ILE C C 38 176.140 176.140 176.635 -0.495 25284 5984 1 13 . 1 1 38 38 ILE CA C 38 62.038 62.038 60.806 1.232 25284 5985 1 13 . 1 1 38 38 ILE CB C 38 38.755 38.755 37.876 0.879 25284 5986 1 13 . 1 1 38 38 ILE H H 38 7.725 7.725 7.314 0.411 25284 5987 1 13 . 1 1 39 39 GLY N N 39 107.376 107.376 108.735 -1.359 25284 5988 1 13 . 1 1 39 39 GLY C C 39 174.497 174.497 174.209 0.288 25284 5989 1 13 . 1 1 39 39 GLY CA C 39 46.580 46.580 45.684 0.895 25284 5990 1 13 . 1 1 39 39 GLY H H 39 7.736 7.736 7.627 0.109 25284 5991 1 13 . 1 1 40 40 TYR N N 40 121.883 121.883 120.376 1.507 25284 5992 1 13 . 1 1 40 40 TYR HA H 40 4.583 4.583 4.600 -0.017 25284 5993 1 13 . 1 1 40 40 TYR C C 40 174.479 174.479 175.228 -0.749 25284 5994 1 13 . 1 1 40 40 TYR CA C 40 58.153 58.153 58.631 -0.478 25284 5995 1 13 . 1 1 40 40 TYR CB C 40 40.535 40.535 39.033 1.502 25284 5996 1 13 . 1 1 40 40 TYR H H 40 8.059 8.059 8.462 -0.403 25284 5997 1 13 . 1 1 41 41 ASP N N 41 124.021 124.021 124.383 -0.362 25284 5998 1 13 . 1 1 41 41 ASP HA H 41 4.739 4.739 4.753 -0.014 25284 5999 1 13 . 1 1 41 41 ASP C C 41 175.831 175.831 177.104 -1.273 25284 6000 1 13 . 1 1 41 41 ASP CA C 41 52.669 52.669 54.417 -1.748 25284 6001 1 13 . 1 1 41 41 ASP CB C 41 42.015 42.015 42.927 -0.912 25284 6002 1 13 . 1 1 41 41 ASP H H 41 7.992 7.992 8.466 -0.474 25284 6003 1 13 . 1 1 42 42 SER N N 42 114.198 114.198 116.207 -2.009 25284 6004 1 13 . 1 1 42 42 SER HA H 42 4.272 4.272 4.219 0.053 25284 6005 1 13 . 1 1 42 42 SER C C 42 176.102 176.102 176.815 -0.713 25284 6006 1 13 . 1 1 42 42 SER CA C 42 60.657 60.657 61.481 -0.824 25284 6007 1 13 . 1 1 42 42 SER CB C 42 66.110 66.110 62.795 3.314 25284 6008 1 13 . 1 1 43 43 LEU N N 43 124.254 124.254 121.972 2.282 25284 6009 1 13 . 1 1 43 43 LEU HA H 43 4.269 4.269 4.039 0.230 25284 6010 1 13 . 1 1 43 43 LEU C C 43 179.140 179.140 178.424 0.716 25284 6011 1 13 . 1 1 43 43 LEU CA C 43 58.567 58.567 57.640 0.927 25284 6012 1 13 . 1 1 43 43 LEU CB C 43 41.178 41.178 41.452 -0.274 25284 6013 1 13 . 1 1 43 43 LEU H H 43 7.792 7.792 8.339 -0.547 25284 6014 1 13 . 1 1 44 44 ALA N N 44 123.473 123.473 120.447 3.026 25284 6015 1 13 . 1 1 44 44 ALA HA H 44 4.318 4.318 4.037 0.281 25284 6016 1 13 . 1 1 44 44 ALA C C 44 181.903 181.903 179.323 2.580 25284 6017 1 13 . 1 1 44 44 ALA CA C 44 55.068 55.068 54.722 0.346 25284 6018 1 13 . 1 1 44 44 ALA CB C 44 18.556 18.556 18.319 0.237 25284 6019 1 13 . 1 1 44 44 ALA H H 44 8.140 8.140 7.922 0.218 25284 6020 1 13 . 1 1 45 45 LEU N N 45 121.524 121.524 120.559 0.965 25284 6021 1 13 . 1 1 45 45 LEU HA H 45 3.898 3.898 4.220 -0.322 25284 6022 1 13 . 1 1 45 45 LEU C C 45 179.040 179.040 178.310 0.730 25284 6023 1 13 . 1 1 45 45 LEU CA C 45 58.475 58.475 57.170 1.305 25284 6024 1 13 . 1 1 45 45 LEU CB C 45 41.780 41.780 41.368 0.412 25284 6025 1 13 . 1 1 45 45 LEU H H 45 8.442 8.442 7.682 0.760 25284 6026 1 13 . 1 1 46 46 MET N N 46 119.769 119.769 119.227 0.542 25284 6027 1 13 . 1 1 46 46 MET HA H 46 4.265 4.265 3.922 0.343 25284 6028 1 13 . 1 1 46 46 MET C C 46 180.609 180.609 178.513 2.096 25284 6029 1 13 . 1 1 46 46 MET CA C 46 58.853 58.853 60.037 -1.184 25284 6030 1 13 . 1 1 46 46 MET CB C 46 32.119 32.119 31.853 0.266 25284 6031 1 13 . 1 1 46 46 MET H H 46 8.234 8.234 8.342 -0.108 25284 6032 1 13 . 1 1 47 47 GLU N N 47 121.097 121.097 119.917 1.180 25284 6033 1 13 . 1 1 47 47 GLU HA H 47 4.228 4.228 4.046 0.182 25284 6034 1 13 . 1 1 47 47 GLU C C 47 179.333 179.333 178.941 0.392 25284 6035 1 13 . 1 1 47 47 GLU CA C 47 59.644 59.644 59.744 -0.100 25284 6036 1 13 . 1 1 47 47 GLU CB C 47 28.977 28.977 29.255 -0.278 25284 6037 1 13 . 1 1 47 47 GLU H H 47 8.517 8.517 8.563 -0.046 25284 6038 1 13 . 1 1 48 48 THR N N 48 118.834 118.834 117.055 1.779 25284 6039 1 13 . 1 1 48 48 THR HA H 48 3.961 3.961 3.939 0.022 25284 6040 1 13 . 1 1 48 48 THR C C 48 176.348 176.348 176.638 -0.290 25284 6041 1 13 . 1 1 48 48 THR CA C 48 67.842 67.842 67.141 0.701 25284 6042 1 13 . 1 1 48 48 THR CB C 48 68.056 68.056 68.812 -0.756 25284 6043 1 13 . 1 1 48 48 THR H H 48 8.325 8.325 8.091 0.234 25284 6044 1 13 . 1 1 49 49 ALA N N 49 123.924 123.924 123.176 0.748 25284 6045 1 13 . 1 1 49 49 ALA HA H 49 3.926 3.926 4.068 -0.142 25284 6046 1 13 . 1 1 49 49 ALA C C 49 178.608 178.608 179.384 -0.776 25284 6047 1 13 . 1 1 49 49 ALA CA C 49 56.247 56.247 55.103 1.144 25284 6048 1 13 . 1 1 49 49 ALA CB C 49 17.569 17.569 18.137 -0.568 25284 6049 1 13 . 1 1 49 49 ALA H H 49 8.747 8.747 8.345 0.402 25284 6050 1 13 . 1 1 50 50 ALA N N 50 119.691 119.691 120.988 -1.297 25284 6051 1 13 . 1 1 50 50 ALA HA H 50 4.269 4.269 4.422 -0.153 25284 6052 1 13 . 1 1 50 50 ALA C C 50 181.310 181.310 179.396 1.914 25284 6053 1 13 . 1 1 50 50 ALA CA C 50 55.422 55.422 54.468 0.954 25284 6054 1 13 . 1 1 50 50 ALA CB C 50 18.171 18.171 18.297 -0.126 25284 6055 1 13 . 1 1 50 50 ALA H H 50 8.245 8.245 8.451 -0.206 25284 6056 1 13 . 1 1 51 51 ARG N N 51 119.913 119.913 118.878 1.035 25284 6057 1 13 . 1 1 51 51 ARG HA H 51 4.247 4.247 4.137 0.110 25284 6058 1 13 . 1 1 51 51 ARG C C 51 179.808 179.808 178.821 0.987 25284 6059 1 13 . 1 1 51 51 ARG CA C 51 59.673 59.673 58.601 1.072 25284 6060 1 13 . 1 1 51 51 ARG CB C 51 30.539 30.539 30.042 0.497 25284 6061 1 13 . 1 1 51 51 ARG H H 51 8.129 8.129 8.091 0.038 25284 6062 1 13 . 1 1 52 52 LEU N N 52 120.624 120.624 119.329 1.295 25284 6063 1 13 . 1 1 52 52 LEU HA H 52 4.319 4.319 4.216 0.103 25284 6064 1 13 . 1 1 52 52 LEU C C 52 179.192 179.192 178.620 0.572 25284 6065 1 13 . 1 1 52 52 LEU CA C 52 58.253 58.253 57.436 0.817 25284 6066 1 13 . 1 1 52 52 LEU CB C 52 42.812 42.812 41.864 0.948 25284 6067 1 13 . 1 1 52 52 LEU H H 52 8.423 8.423 7.742 0.681 25284 6068 1 13 . 1 1 53 53 GLU N N 53 119.779 119.779 121.129 -1.350 25284 6069 1 13 . 1 1 53 53 GLU HA H 53 4.108 4.108 3.974 0.134 25284 6070 1 13 . 1 1 53 53 GLU C C 53 179.388 179.388 179.470 -0.082 25284 6071 1 13 . 1 1 53 53 GLU CA C 53 60.211 60.211 59.922 0.288 25284 6072 1 13 . 1 1 53 53 GLU CB C 53 29.143 29.143 29.437 -0.294 25284 6073 1 13 . 1 1 53 53 GLU H H 53 8.974 8.974 8.582 0.392 25284 6074 1 13 . 1 1 54 54 SER N N 54 113.169 113.169 113.677 -0.508 25284 6075 1 13 . 1 1 54 54 SER HA H 54 4.384 4.384 4.283 0.101 25284 6076 1 13 . 1 1 54 54 SER C C 54 176.953 176.953 175.772 1.181 25284 6077 1 13 . 1 1 54 54 SER CA C 54 61.279 61.279 61.366 -0.087 25284 6078 1 13 . 1 1 54 54 SER CB C 54 63.402 63.402 62.792 0.610 25284 6079 1 13 . 1 1 54 54 SER H H 54 8.037 8.037 8.329 -0.292 25284 6080 1 13 . 1 1 55 55 ARG N N 55 120.851 120.851 120.022 0.829 25284 6081 1 13 . 1 1 55 55 ARG HA H 55 4.100 4.100 4.084 0.016 25284 6082 1 13 . 1 1 55 55 ARG C C 55 177.905 177.905 177.551 0.354 25284 6083 1 13 . 1 1 55 55 ARG CA C 55 58.949 58.949 58.097 0.852 25284 6084 1 13 . 1 1 55 55 ARG CB C 55 30.896 30.896 30.666 0.230 25284 6085 1 13 . 1 1 55 55 ARG H H 55 8.099 8.099 7.511 0.588 25284 6086 1 13 . 1 1 56 56 TYR N N 56 113.669 113.669 115.119 -1.450 25284 6087 1 13 . 1 1 56 56 TYR HA H 56 4.687 4.687 4.607 0.080 25284 6088 1 13 . 1 1 56 56 TYR C C 56 176.069 176.069 175.231 0.838 25284 6089 1 13 . 1 1 56 56 TYR CA C 56 59.055 59.055 57.947 1.107 25284 6090 1 13 . 1 1 56 56 TYR CB C 56 39.465 39.465 39.482 -0.017 25284 6091 1 13 . 1 1 56 56 TYR H H 56 8.158 8.158 7.956 0.202 25284 6092 1 13 . 1 1 57 57 GLY N N 57 109.856 109.856 108.971 0.885 25284 6093 1 13 . 1 1 57 57 GLY C C 57 174.642 174.642 174.340 0.302 25284 6094 1 13 . 1 1 57 57 GLY CA C 57 47.476 47.476 45.048 2.428 25284 6095 1 13 . 1 1 57 57 GLY H H 57 7.982 7.982 8.204 -0.222 25284 6096 1 13 . 1 1 58 58 VAL N N 58 112.572 112.572 115.352 -2.780 25284 6097 1 13 . 1 1 58 58 VAL HA H 58 4.676 4.676 4.624 0.052 25284 6098 1 13 . 1 1 58 58 VAL C C 58 174.069 174.069 174.092 -0.023 25284 6099 1 13 . 1 1 58 58 VAL CA C 58 59.313 59.313 59.398 -0.085 25284 6100 1 13 . 1 1 58 58 VAL CB C 58 34.744 34.744 34.749 -0.005 25284 6101 1 13 . 1 1 58 58 VAL H H 58 7.497 7.497 7.537 -0.040 25284 6102 1 13 . 1 1 59 59 SER N N 59 117.179 117.179 115.109 2.070 25284 6103 1 13 . 1 1 59 59 SER HA H 59 4.846 4.846 5.115 -0.269 25284 6104 1 13 . 1 1 59 59 SER C C 59 173.699 173.699 173.392 0.307 25284 6105 1 13 . 1 1 59 59 SER CA C 59 57.401 57.401 57.825 -0.424 25284 6106 1 13 . 1 1 59 59 SER CB C 59 64.502 64.502 64.656 -0.154 25284 6107 1 13 . 1 1 59 59 SER H H 59 8.489 8.489 8.132 0.357 25284 6108 1 13 . 1 1 60 60 ILE N N 60 125.858 125.858 126.520 -0.662 25284 6109 1 13 . 1 1 60 60 ILE HA H 60 4.651 4.651 4.433 0.218 25284 6110 1 13 . 1 1 60 60 ILE CA C 60 57.694 57.694 58.188 -0.494 25284 6111 1 13 . 1 1 60 60 ILE CB C 60 40.500 40.500 39.300 1.200 25284 6112 1 13 . 1 1 60 60 ILE H H 60 8.222 8.222 8.882 -0.660 25284 6113 1 13 . 1 1 61 61 PRO HA H 61 4.530 4.530 4.452 0.078 25284 6114 1 13 . 1 1 61 61 PRO C C 61 177.512 177.512 177.102 0.410 25284 6115 1 13 . 1 1 61 61 PRO CA C 61 63.561 63.561 62.611 0.950 25284 6116 1 13 . 1 1 61 61 PRO CB C 61 32.770 32.770 32.559 0.211 25284 6117 1 13 . 1 1 62 62 ASP N N 62 123.459 123.459 121.739 1.720 25284 6118 1 13 . 1 1 62 62 ASP HA H 62 4.449 4.449 4.187 0.262 25284 6119 1 13 . 1 1 62 62 ASP C C 62 177.284 177.284 177.688 -0.404 25284 6120 1 13 . 1 1 62 62 ASP CA C 62 57.112 57.112 57.986 -0.874 25284 6121 1 13 . 1 1 62 62 ASP CB C 62 40.740 40.740 40.743 -0.003 25284 6122 1 13 . 1 1 62 62 ASP H H 62 8.831 8.831 8.669 0.162 25284 6123 1 13 . 1 1 63 63 ASP N N 63 116.794 116.794 116.930 -0.136 25284 6124 1 13 . 1 1 63 63 ASP HA H 63 4.529 4.529 4.420 0.109 25284 6125 1 13 . 1 1 63 63 ASP C C 63 177.294 177.294 178.121 -0.827 25284 6126 1 13 . 1 1 63 63 ASP CA C 63 54.956 54.956 56.245 -1.289 25284 6127 1 13 . 1 1 63 63 ASP CB C 63 39.687 39.687 40.221 -0.534 25284 6128 1 13 . 1 1 63 63 ASP H H 63 8.617 8.617 8.740 -0.123 25284 6129 1 13 . 1 1 64 64 VAL N N 64 119.209 119.209 121.015 -1.806 25284 6130 1 13 . 1 1 64 64 VAL HA H 64 3.812 3.812 3.845 -0.033 25284 6131 1 13 . 1 1 64 64 VAL C C 64 177.556 177.556 178.164 -0.608 25284 6132 1 13 . 1 1 64 64 VAL CA C 64 65.179 65.179 64.895 0.284 25284 6133 1 13 . 1 1 64 64 VAL CB C 64 32.413 32.413 31.122 1.291 25284 6134 1 13 . 1 1 64 64 VAL H H 64 7.407 7.407 7.670 -0.263 25284 6135 1 13 . 1 1 65 65 ALA N N 65 122.418 122.418 122.377 0.041 25284 6136 1 13 . 1 1 65 65 ALA HA H 65 3.987 3.987 4.207 -0.220 25284 6137 1 13 . 1 1 65 65 ALA C C 65 177.994 177.994 179.589 -1.595 25284 6138 1 13 . 1 1 65 65 ALA CA C 65 54.842 54.842 54.698 0.144 25284 6139 1 13 . 1 1 65 65 ALA CB C 65 18.522 18.522 18.387 0.135 25284 6140 1 13 . 1 1 65 65 ALA H H 65 8.246 8.246 7.671 0.575 25284 6141 1 13 . 1 1 66 66 GLY N N 66 100.378 100.378 104.939 -4.561 25284 6142 1 13 . 1 1 66 66 GLY C C 66 174.387 174.387 175.079 -0.692 25284 6143 1 13 . 1 1 66 66 GLY CA C 66 46.015 46.015 45.457 0.558 25284 6144 1 13 . 1 1 66 66 GLY H H 66 8.021 8.021 7.777 0.244 25284 6145 1 13 . 1 1 67 67 ARG N N 67 116.838 116.838 119.563 -2.725 25284 6146 1 13 . 1 1 67 67 ARG HA H 67 4.623 4.623 4.340 0.283 25284 6147 1 13 . 1 1 67 67 ARG C C 67 176.509 176.509 176.386 0.123 25284 6148 1 13 . 1 1 67 67 ARG CA C 67 55.883 55.883 56.054 -0.171 25284 6149 1 13 . 1 1 67 67 ARG CB C 67 31.911 31.911 30.664 1.247 25284 6150 1 13 . 1 1 67 67 ARG H H 67 7.483 7.483 7.721 -0.238 25284 6151 1 13 . 1 1 68 68 VAL N N 68 114.649 114.649 115.394 -0.745 25284 6152 1 13 . 1 1 68 68 VAL HA H 68 4.468 4.468 4.108 0.360 25284 6153 1 13 . 1 1 68 68 VAL C C 68 175.192 175.192 175.227 -0.035 25284 6154 1 13 . 1 1 68 68 VAL CA C 68 61.819 61.819 61.042 0.777 25284 6155 1 13 . 1 1 68 68 VAL CB C 68 33.624 33.624 33.266 0.358 25284 6156 1 13 . 1 1 68 68 VAL H H 68 7.284 7.284 7.293 -0.009 25284 6157 1 13 . 1 1 69 69 ASP N N 69 120.972 120.972 118.208 2.764 25284 6158 1 13 . 1 1 69 69 ASP HA H 69 5.264 5.264 5.106 0.158 25284 6159 1 13 . 1 1 69 69 ASP C C 69 176.970 176.970 175.764 1.206 25284 6160 1 13 . 1 1 69 69 ASP CA C 69 55.811 55.811 55.539 0.272 25284 6161 1 13 . 1 1 69 69 ASP CB C 69 44.441 44.441 43.643 0.798 25284 6162 1 13 . 1 1 69 69 ASP H H 69 9.167 9.167 9.311 -0.144 25284 6163 1 13 . 1 1 70 70 THR N N 70 108.311 108.311 113.274 -4.963 25284 6164 1 13 . 1 1 70 70 THR HA H 70 4.939 4.939 5.399 -0.460 25284 6165 1 13 . 1 1 70 70 THR CA C 70 57.823 57.823 58.706 -0.883 25284 6166 1 13 . 1 1 70 70 THR CB C 70 71.412 71.412 70.388 1.024 25284 6167 1 13 . 1 1 70 70 THR H H 70 7.477 7.477 9.064 -1.587 25284 6168 1 13 . 1 1 71 71 PRO HA H 71 4.235 4.235 4.218 0.017 25284 6169 1 13 . 1 1 71 71 PRO C C 71 177.422 177.422 177.663 -0.241 25284 6170 1 13 . 1 1 71 71 PRO CA C 71 66.002 66.002 65.445 0.557 25284 6171 1 13 . 1 1 71 71 PRO CB C 71 32.686 32.686 31.472 1.214 25284 6172 1 13 . 1 1 72 72 ARG N N 72 117.972 117.972 117.052 0.920 25284 6173 1 13 . 1 1 72 72 ARG HA H 72 3.609 3.609 3.979 -0.370 25284 6174 1 13 . 1 1 72 72 ARG C C 72 177.616 177.616 178.460 -0.844 25284 6175 1 13 . 1 1 72 72 ARG CA C 72 60.243 60.243 59.293 0.950 25284 6176 1 13 . 1 1 72 72 ARG CB C 72 30.524 30.524 29.201 1.323 25284 6177 1 13 . 1 1 72 72 ARG H H 72 9.016 9.016 7.752 1.264 25284 6178 1 13 . 1 1 73 73 GLU N N 73 116.790 116.790 120.788 -3.998 25284 6179 1 13 . 1 1 73 73 GLU HA H 73 4.242 4.242 4.108 0.134 25284 6180 1 13 . 1 1 73 73 GLU C C 73 180.200 180.200 178.921 1.279 25284 6181 1 13 . 1 1 73 73 GLU CA C 73 59.226 59.226 58.947 0.279 25284 6182 1 13 . 1 1 73 73 GLU CB C 73 30.069 30.069 29.459 0.611 25284 6183 1 13 . 1 1 73 73 GLU H H 73 7.838 7.838 7.738 0.100 25284 6184 1 13 . 1 1 74 74 LEU N N 74 120.656 120.656 121.571 -0.915 25284 6185 1 13 . 1 1 74 74 LEU HA H 74 4.313 4.313 4.133 0.180 25284 6186 1 13 . 1 1 74 74 LEU C C 74 177.023 177.023 178.314 -1.291 25284 6187 1 13 . 1 1 74 74 LEU CA C 74 58.179 58.179 57.478 0.701 25284 6188 1 13 . 1 1 74 74 LEU CB C 74 42.292 42.292 41.708 0.584 25284 6189 1 13 . 1 1 74 74 LEU H H 74 7.703 7.703 7.498 0.205 25284 6190 1 13 . 1 1 75 75 LEU N N 75 121.434 121.434 119.960 1.474 25284 6191 1 13 . 1 1 75 75 LEU HA H 75 3.894 3.894 3.997 -0.103 25284 6192 1 13 . 1 1 75 75 LEU C C 75 178.169 178.169 177.685 0.484 25284 6193 1 13 . 1 1 75 75 LEU CA C 75 58.562 58.562 58.395 0.167 25284 6194 1 13 . 1 1 75 75 LEU CB C 75 42.408 42.408 41.465 0.943 25284 6195 1 13 . 1 1 75 75 LEU H H 75 8.743 8.743 8.715 0.028 25284 6196 1 13 . 1 1 76 76 ASP N N 76 117.849 117.849 119.107 -1.258 25284 6197 1 13 . 1 1 76 76 ASP HA H 76 4.488 4.488 4.300 0.188 25284 6198 1 13 . 1 1 76 76 ASP C C 76 180.127 180.127 178.464 1.663 25284 6199 1 13 . 1 1 76 76 ASP CA C 76 57.487 57.487 57.688 -0.201 25284 6200 1 13 . 1 1 76 76 ASP CB C 76 40.085 40.085 40.927 -0.842 25284 6201 1 13 . 1 1 76 76 ASP H H 76 8.711 8.711 7.728 0.983 25284 6202 1 13 . 1 1 77 77 LEU N N 77 123.252 123.252 120.589 2.663 25284 6203 1 13 . 1 1 77 77 LEU HA H 77 4.303 4.303 3.956 0.347 25284 6204 1 13 . 1 1 77 77 LEU C C 77 180.621 180.621 179.216 1.405 25284 6205 1 13 . 1 1 77 77 LEU CA C 77 58.439 58.439 57.925 0.514 25284 6206 1 13 . 1 1 77 77 LEU CB C 77 42.905 42.905 41.828 1.077 25284 6207 1 13 . 1 1 77 77 LEU H H 77 8.009 8.009 7.632 0.377 25284 6208 1 13 . 1 1 78 78 ILE N N 78 120.216 120.216 120.005 0.211 25284 6209 1 13 . 1 1 78 78 ILE HA H 78 3.750 3.750 3.624 0.126 25284 6210 1 13 . 1 1 78 78 ILE C C 78 177.713 177.713 178.248 -0.535 25284 6211 1 13 . 1 1 78 78 ILE CA C 78 64.757 64.757 64.080 0.677 25284 6212 1 13 . 1 1 78 78 ILE CB C 78 37.402 37.402 36.402 1.000 25284 6213 1 13 . 1 1 78 78 ILE H H 78 8.294 8.294 8.380 -0.086 25284 6214 1 13 . 1 1 79 79 ASN N N 79 118.191 118.191 118.343 -0.152 25284 6215 1 13 . 1 1 79 79 ASN HA H 79 4.912 4.912 4.334 0.578 25284 6216 1 13 . 1 1 79 79 ASN C C 79 179.524 179.524 178.259 1.265 25284 6217 1 13 . 1 1 79 79 ASN CA C 79 55.473 55.473 56.014 -0.541 25284 6218 1 13 . 1 1 79 79 ASN CB C 79 37.331 37.331 37.808 -0.477 25284 6219 1 13 . 1 1 79 79 ASN H H 79 8.887 8.887 8.746 0.141 25284 6220 1 13 . 1 1 80 80 GLY N N 80 110.387 110.387 107.959 2.428 25284 6221 1 13 . 1 1 80 80 GLY C C 80 175.783 175.783 175.257 0.526 25284 6222 1 13 . 1 1 80 80 GLY CA C 80 47.166 47.166 46.894 0.272 25284 6223 1 13 . 1 1 80 80 GLY H H 80 8.436 8.436 8.331 0.105 25284 6224 1 13 . 1 1 81 81 ALA N N 81 124.420 124.420 124.451 -0.031 25284 6225 1 13 . 1 1 81 81 ALA HA H 81 4.460 4.460 4.115 0.345 25284 6226 1 13 . 1 1 81 81 ALA C C 81 179.892 179.892 179.127 0.765 25284 6227 1 13 . 1 1 81 81 ALA CA C 81 54.389 54.389 54.308 0.081 25284 6228 1 13 . 1 1 81 81 ALA CB C 81 18.824 18.824 18.789 0.035 25284 6229 1 13 . 1 1 81 81 ALA H H 81 7.606 7.606 7.529 0.077 25284 6230 1 13 . 1 1 82 82 LEU N N 82 120.239 120.239 119.780 0.459 25284 6231 1 13 . 1 1 82 82 LEU HA H 82 4.214 4.214 4.001 0.213 25284 6232 1 13 . 1 1 82 82 LEU C C 82 178.884 178.884 178.237 0.647 25284 6233 1 13 . 1 1 82 82 LEU CA C 82 57.098 57.098 57.200 -0.102 25284 6234 1 13 . 1 1 82 82 LEU CB C 82 42.739 42.739 41.588 1.151 25284 6235 1 13 . 1 1 82 82 LEU H H 82 8.285 8.285 8.455 -0.170 25284 6236 1 13 . 1 1 83 83 ALA N N 83 121.614 121.614 121.800 -0.186 25284 6237 1 13 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.033 0.266 25284 6238 1 13 . 1 1 83 83 ALA C C 83 178.788 178.788 179.088 -0.300 25284 6239 1 13 . 1 1 83 83 ALA CA C 83 54.049 54.049 54.923 -0.874 25284 6240 1 13 . 1 1 83 83 ALA CB C 83 18.944 18.944 18.355 0.589 25284 6241 1 13 . 1 1 83 83 ALA H H 83 7.973 7.973 8.126 -0.153 25284 6242 1 13 . 1 1 84 84 GLU N N 84 117.412 117.412 118.188 -0.776 25284 6243 1 13 . 1 1 84 84 GLU HA H 84 4.385 4.385 4.304 0.081 25284 6244 1 13 . 1 1 84 84 GLU C C 84 176.406 176.406 177.436 -1.030 25284 6245 1 13 . 1 1 84 84 GLU CA C 84 56.872 56.872 57.033 -0.161 25284 6246 1 13 . 1 1 84 84 GLU CB C 84 29.773 29.773 29.848 -0.074 25284 6247 1 13 . 1 1 84 84 GLU H H 84 7.753 7.753 8.024 -0.271 25284 6248 1 13 . 1 1 85 85 ALA N N 85 124.256 124.256 120.784 3.472 25284 6249 1 13 . 1 1 85 85 ALA HA H 85 4.471 4.471 4.384 0.087 25284 6250 1 13 . 1 1 85 85 ALA C C 85 176.625 176.625 177.489 -0.864 25284 6251 1 13 . 1 1 85 85 ALA CA C 85 52.679 52.679 52.404 0.275 25284 6252 1 13 . 1 1 85 85 ALA CB C 85 19.702 19.702 19.152 0.550 25284 6253 1 13 . 1 1 85 85 ALA H H 85 7.832 7.832 7.714 0.118 25284 6254 1 14 . 1 1 2 2 ALA HA H 2 4.279 4.279 4.044 0.235 25284 6255 1 14 . 1 1 2 2 ALA C C 2 173.785 173.785 176.785 -3.000 25284 6256 1 14 . 1 1 2 2 ALA CA C 2 52.136 52.136 53.898 -1.762 25284 6257 1 14 . 1 1 2 2 ALA CB C 2 20.083 20.083 18.032 2.051 25284 6258 1 14 . 1 1 3 3 THR N N 3 117.799 117.799 113.248 4.551 25284 6259 1 14 . 1 1 3 3 THR HA H 3 4.398 4.398 3.892 0.506 25284 6260 1 14 . 1 1 3 3 THR C C 3 172.979 172.979 173.895 -0.916 25284 6261 1 14 . 1 1 3 3 THR CA C 3 62.907 62.907 63.080 -0.173 25284 6262 1 14 . 1 1 3 3 THR CB C 3 70.082 70.082 67.825 2.257 25284 6263 1 14 . 1 1 3 3 THR H H 3 8.703 8.703 7.794 0.909 25284 6264 1 14 . 1 1 4 4 LEU N N 4 124.656 124.656 120.216 4.440 25284 6265 1 14 . 1 1 4 4 LEU HA H 4 4.373 4.373 4.397 -0.024 25284 6266 1 14 . 1 1 4 4 LEU C C 4 177.215 177.215 176.806 0.409 25284 6267 1 14 . 1 1 4 4 LEU CA C 4 54.852 54.852 53.584 1.268 25284 6268 1 14 . 1 1 4 4 LEU CB C 4 42.864 42.864 42.800 0.064 25284 6269 1 14 . 1 1 4 4 LEU H H 4 8.155 8.155 8.297 -0.142 25284 6270 1 14 . 1 1 5 5 LEU N N 5 124.772 124.772 120.332 4.440 25284 6271 1 14 . 1 1 5 5 LEU HA H 5 4.530 4.530 4.117 0.413 25284 6272 1 14 . 1 1 5 5 LEU C C 5 177.915 177.915 176.411 1.504 25284 6273 1 14 . 1 1 5 5 LEU CA C 5 55.564 55.564 54.762 0.802 25284 6274 1 14 . 1 1 5 5 LEU CB C 5 42.806 42.806 42.236 0.570 25284 6275 1 14 . 1 1 5 5 LEU H H 5 9.421 9.421 8.612 0.809 25284 6276 1 14 . 1 1 6 6 THR N N 6 115.077 115.077 116.284 -1.207 25284 6277 1 14 . 1 1 6 6 THR HA H 6 4.745 4.745 4.721 0.024 25284 6278 1 14 . 1 1 6 6 THR C C 6 175.958 175.958 175.018 0.940 25284 6279 1 14 . 1 1 6 6 THR CA C 6 60.159 60.159 59.842 0.317 25284 6280 1 14 . 1 1 6 6 THR CB C 6 72.442 72.442 71.127 1.315 25284 6281 1 14 . 1 1 6 6 THR H H 6 9.006 9.006 8.333 0.673 25284 6282 1 14 . 1 1 7 7 THR N N 7 115.895 115.895 116.649 -0.754 25284 6283 1 14 . 1 1 7 7 THR HA H 7 3.867 3.867 4.042 -0.175 25284 6284 1 14 . 1 1 7 7 THR C C 7 176.622 176.622 176.668 -0.046 25284 6285 1 14 . 1 1 7 7 THR CA C 7 67.331 67.331 66.364 0.967 25284 6286 1 14 . 1 1 7 7 THR CB C 7 68.496 68.496 68.596 -0.100 25284 6287 1 14 . 1 1 7 7 THR H H 7 8.864 8.864 8.497 0.367 25284 6288 1 14 . 1 1 8 8 ASP N N 8 120.253 120.253 119.492 0.761 25284 6289 1 14 . 1 1 8 8 ASP HA H 8 4.629 4.629 4.439 0.190 25284 6290 1 14 . 1 1 8 8 ASP C C 8 178.593 178.593 178.306 0.287 25284 6291 1 14 . 1 1 8 8 ASP CA C 8 57.740 57.740 58.593 -0.853 25284 6292 1 14 . 1 1 8 8 ASP CB C 8 41.273 41.273 40.591 0.682 25284 6293 1 14 . 1 1 8 8 ASP H H 8 8.289 8.289 8.712 -0.423 25284 6294 1 14 . 1 1 9 9 ASP N N 9 120.653 120.653 120.266 0.387 25284 6295 1 14 . 1 1 9 9 ASP HA H 9 4.560 4.560 4.484 0.076 25284 6296 1 14 . 1 1 9 9 ASP C C 9 179.465 179.465 178.353 1.112 25284 6297 1 14 . 1 1 9 9 ASP CA C 9 57.608 57.608 56.771 0.837 25284 6298 1 14 . 1 1 9 9 ASP CB C 9 41.559 41.559 40.748 0.811 25284 6299 1 14 . 1 1 9 9 ASP H H 9 7.916 7.916 8.249 -0.333 25284 6300 1 14 . 1 1 10 10 LEU N N 10 121.585 121.585 121.385 0.200 25284 6301 1 14 . 1 1 10 10 LEU HA H 10 4.216 4.216 4.101 0.115 25284 6302 1 14 . 1 1 10 10 LEU C C 10 177.517 177.517 178.347 -0.830 25284 6303 1 14 . 1 1 10 10 LEU CA C 10 58.031 58.031 57.846 0.185 25284 6304 1 14 . 1 1 10 10 LEU CB C 10 42.146 42.146 42.045 0.101 25284 6305 1 14 . 1 1 10 10 LEU H H 10 8.086 8.086 8.192 -0.106 25284 6306 1 14 . 1 1 11 11 ARG N N 11 120.099 120.099 118.525 1.574 25284 6307 1 14 . 1 1 11 11 ARG HA H 11 3.514 3.514 3.539 -0.025 25284 6308 1 14 . 1 1 11 11 ARG C C 11 177.769 177.769 178.312 -0.543 25284 6309 1 14 . 1 1 11 11 ARG CA C 11 60.715 60.715 59.895 0.820 25284 6310 1 14 . 1 1 11 11 ARG CB C 11 30.775 30.775 29.784 0.991 25284 6311 1 14 . 1 1 11 11 ARG H H 11 8.852 8.852 8.183 0.669 25284 6312 1 14 . 1 1 12 12 ARG N N 12 115.840 115.840 118.719 -2.879 25284 6313 1 14 . 1 1 12 12 ARG HA H 12 4.032 4.032 4.066 -0.034 25284 6314 1 14 . 1 1 12 12 ARG C C 12 178.492 178.492 178.483 0.009 25284 6315 1 14 . 1 1 12 12 ARG CA C 12 59.592 59.592 59.005 0.587 25284 6316 1 14 . 1 1 12 12 ARG CB C 12 30.583 30.583 30.108 0.475 25284 6317 1 14 . 1 1 12 12 ARG H H 12 7.996 7.996 7.600 0.396 25284 6318 1 14 . 1 1 13 13 ALA N N 13 120.184 120.184 123.023 -2.839 25284 6319 1 14 . 1 1 13 13 ALA HA H 13 4.401 4.401 4.581 -0.180 25284 6320 1 14 . 1 1 13 13 ALA C C 13 180.114 180.114 179.889 0.225 25284 6321 1 14 . 1 1 13 13 ALA CA C 13 54.938 54.938 54.724 0.214 25284 6322 1 14 . 1 1 13 13 ALA CB C 13 18.756 18.756 18.660 0.096 25284 6323 1 14 . 1 1 13 13 ALA H H 13 7.705 7.705 7.856 -0.151 25284 6324 1 14 . 1 1 14 14 LEU N N 14 119.427 119.427 119.947 -0.520 25284 6325 1 14 . 1 1 14 14 LEU HA H 14 4.424 4.424 4.166 0.258 25284 6326 1 14 . 1 1 14 14 LEU C C 14 179.766 179.766 178.802 0.964 25284 6327 1 14 . 1 1 14 14 LEU CA C 14 57.568 57.568 58.062 -0.494 25284 6328 1 14 . 1 1 14 14 LEU CB C 14 42.039 42.039 42.096 -0.057 25284 6329 1 14 . 1 1 14 14 LEU H H 14 8.424 8.424 8.395 0.029 25284 6330 1 14 . 1 1 15 15 VAL N N 15 121.004 121.004 118.768 2.236 25284 6331 1 14 . 1 1 15 15 VAL HA H 15 3.920 3.920 3.606 0.314 25284 6332 1 14 . 1 1 15 15 VAL C C 15 179.014 179.014 179.108 -0.094 25284 6333 1 14 . 1 1 15 15 VAL CA C 15 66.259 66.259 66.547 -0.288 25284 6334 1 14 . 1 1 15 15 VAL CB C 15 32.137 32.137 31.711 0.426 25284 6335 1 14 . 1 1 15 15 VAL H H 15 8.519 8.519 7.461 1.058 25284 6336 1 14 . 1 1 16 16 GLU N N 16 119.984 119.984 119.630 0.354 25284 6337 1 14 . 1 1 16 16 GLU HA H 16 4.206 4.206 4.037 0.169 25284 6338 1 14 . 1 1 16 16 GLU C C 16 178.547 178.547 177.859 0.688 25284 6339 1 14 . 1 1 16 16 GLU CA C 16 59.042 59.042 59.189 -0.147 25284 6340 1 14 . 1 1 16 16 GLU CB C 16 29.692 29.692 29.598 0.094 25284 6341 1 14 . 1 1 16 16 GLU H H 16 8.218 8.218 8.098 0.120 25284 6342 1 14 . 1 1 17 17 SER N N 17 113.928 113.928 112.528 1.400 25284 6343 1 14 . 1 1 17 17 SER HA H 17 4.577 4.577 4.421 0.156 25284 6344 1 14 . 1 1 17 17 SER C C 17 174.273 174.273 173.594 0.679 25284 6345 1 14 . 1 1 17 17 SER CA C 17 59.940 59.940 59.544 0.396 25284 6346 1 14 . 1 1 17 17 SER CB C 17 64.378 64.378 63.913 0.465 25284 6347 1 14 . 1 1 17 17 SER H H 17 7.798 7.798 7.601 0.197 25284 6348 1 14 . 1 1 18 18 ALA N N 18 123.357 123.357 125.033 -1.676 25284 6349 1 14 . 1 1 18 18 ALA HA H 18 4.347 4.347 4.149 0.198 25284 6350 1 14 . 1 1 18 18 ALA C C 18 178.292 178.292 177.871 0.421 25284 6351 1 14 . 1 1 18 18 ALA CA C 18 52.991 52.991 52.000 0.991 25284 6352 1 14 . 1 1 18 18 ALA CB C 18 19.965 19.965 18.505 1.460 25284 6353 1 14 . 1 1 18 18 ALA H H 18 7.813 7.813 7.184 0.629 25284 6354 1 14 . 1 1 19 19 GLY N N 19 107.711 107.711 110.585 -2.874 25284 6355 1 14 . 1 1 19 19 GLY C C 19 174.440 174.440 173.957 0.483 25284 6356 1 14 . 1 1 19 19 GLY CA C 19 45.650 45.650 46.350 -0.700 25284 6357 1 14 . 1 1 19 19 GLY H H 19 8.256 8.256 8.547 -0.291 25284 6358 1 14 . 1 1 20 20 GLU N N 20 120.763 120.763 118.985 1.778 25284 6359 1 14 . 1 1 20 20 GLU HA H 20 4.477 4.477 4.442 0.035 25284 6360 1 14 . 1 1 20 20 GLU C C 20 176.905 176.905 175.333 1.572 25284 6361 1 14 . 1 1 20 20 GLU CA C 20 56.896 56.896 56.459 0.437 25284 6362 1 14 . 1 1 20 20 GLU CB C 20 30.160 30.160 29.881 0.279 25284 6363 1 14 . 1 1 20 20 GLU H H 20 8.508 8.508 8.043 0.465 25284 6364 1 14 . 1 1 21 21 THR N N 21 114.316 114.316 116.903 -2.587 25284 6365 1 14 . 1 1 21 21 THR HA H 21 4.529 4.529 4.393 0.136 25284 6366 1 14 . 1 1 21 21 THR C C 21 174.564 174.564 173.181 1.383 25284 6367 1 14 . 1 1 21 21 THR CA C 21 61.942 61.942 61.315 0.627 25284 6368 1 14 . 1 1 21 21 THR CB C 21 70.323 70.323 69.756 0.567 25284 6369 1 14 . 1 1 21 21 THR H H 21 8.258 8.258 7.867 0.391 25284 6370 1 14 . 1 1 22 22 ASP N N 22 122.479 122.479 121.329 1.150 25284 6371 1 14 . 1 1 22 22 ASP HA H 22 4.728 4.728 4.704 0.024 25284 6372 1 14 . 1 1 22 22 ASP C C 22 176.913 176.913 177.752 -0.839 25284 6373 1 14 . 1 1 22 22 ASP CA C 22 54.806 54.806 53.700 1.106 25284 6374 1 14 . 1 1 22 22 ASP CB C 22 41.144 41.144 41.815 -0.671 25284 6375 1 14 . 1 1 22 22 ASP H H 22 8.506 8.506 8.339 0.167 25284 6376 1 14 . 1 1 23 23 GLY N N 23 109.608 109.608 112.537 -2.929 25284 6377 1 14 . 1 1 23 23 GLY C C 23 174.806 174.806 174.567 0.239 25284 6378 1 14 . 1 1 23 23 GLY CA C 23 45.969 45.969 46.380 -0.411 25284 6379 1 14 . 1 1 23 23 GLY H H 23 8.503 8.503 8.901 -0.398 25284 6380 1 14 . 1 1 24 24 THR N N 24 116.205 116.205 111.872 4.333 25284 6381 1 14 . 1 1 24 24 THR HA H 24 4.333 4.333 3.926 0.407 25284 6382 1 14 . 1 1 24 24 THR C C 24 174.247 174.247 173.372 0.875 25284 6383 1 14 . 1 1 24 24 THR CA C 24 63.240 63.240 63.172 0.068 25284 6384 1 14 . 1 1 24 24 THR CB C 24 70.056 70.056 67.996 2.060 25284 6385 1 14 . 1 1 24 24 THR H H 24 8.152 8.152 7.922 0.230 25284 6386 1 14 . 1 1 25 25 ASP N N 25 124.096 124.096 120.045 4.051 25284 6387 1 14 . 1 1 25 25 ASP HA H 25 4.718 4.718 4.713 0.005 25284 6388 1 14 . 1 1 25 25 ASP C C 25 176.223 176.223 174.793 1.430 25284 6389 1 14 . 1 1 25 25 ASP CA C 25 54.536 54.536 53.512 1.024 25284 6390 1 14 . 1 1 25 25 ASP CB C 25 41.163 41.163 42.341 -1.178 25284 6391 1 14 . 1 1 25 25 ASP H H 25 8.620 8.620 8.412 0.208 25284 6392 1 14 . 1 1 26 26 LEU N N 26 123.934 123.934 123.667 0.267 25284 6393 1 14 . 1 1 26 26 LEU HA H 26 4.365 4.365 4.553 -0.188 25284 6394 1 14 . 1 1 26 26 LEU C C 26 176.356 176.356 175.386 0.970 25284 6395 1 14 . 1 1 26 26 LEU CA C 26 54.374 54.374 54.321 0.053 25284 6396 1 14 . 1 1 26 26 LEU CB C 26 41.235 41.235 43.547 -2.312 25284 6397 1 14 . 1 1 26 26 LEU H H 26 8.482 8.482 8.369 0.113 25284 6398 1 14 . 1 1 27 27 SER N N 27 115.330 115.330 116.790 -1.460 25284 6399 1 14 . 1 1 27 27 SER HA H 27 4.300 4.300 4.635 -0.335 25284 6400 1 14 . 1 1 27 27 SER C C 27 175.077 175.077 174.453 0.624 25284 6401 1 14 . 1 1 27 27 SER CA C 27 59.917 59.917 58.575 1.342 25284 6402 1 14 . 1 1 27 27 SER CB C 27 64.229 64.229 63.633 0.596 25284 6403 1 14 . 1 1 27 27 SER H H 27 8.214 8.214 8.450 -0.236 25284 6404 1 14 . 1 1 28 28 GLY N N 28 111.630 111.630 116.430 -4.800 25284 6405 1 14 . 1 1 28 28 GLY C C 28 174.303 174.303 173.281 1.022 25284 6406 1 14 . 1 1 28 28 GLY CA C 28 45.500 45.500 44.749 0.751 25284 6407 1 14 . 1 1 28 28 GLY H H 28 8.592 8.592 8.467 0.125 25284 6408 1 14 . 1 1 29 29 ASP N N 29 123.552 123.552 123.370 0.182 25284 6409 1 14 . 1 1 29 29 ASP HA H 29 4.851 4.851 4.719 0.132 25284 6410 1 14 . 1 1 29 29 ASP C C 29 176.494 176.494 176.255 0.239 25284 6411 1 14 . 1 1 29 29 ASP CA C 29 54.312 54.312 53.418 0.894 25284 6412 1 14 . 1 1 29 29 ASP CB C 29 39.771 39.771 39.831 -0.060 25284 6413 1 14 . 1 1 29 29 ASP H H 29 8.690 8.690 8.566 0.123 25284 6414 1 14 . 1 1 30 30 PHE N N 30 122.578 122.578 122.237 0.341 25284 6415 1 14 . 1 1 30 30 PHE HA H 30 4.764 4.764 4.756 0.008 25284 6416 1 14 . 1 1 30 30 PHE C C 30 175.529 175.529 175.319 0.210 25284 6417 1 14 . 1 1 30 30 PHE CA C 30 57.493 57.493 56.661 0.832 25284 6418 1 14 . 1 1 30 30 PHE CB C 30 40.639 40.639 38.821 1.818 25284 6419 1 14 . 1 1 30 30 PHE H H 30 8.076 8.076 7.780 0.296 25284 6420 1 14 . 1 1 31 31 LEU N N 31 119.188 119.188 120.901 -1.713 25284 6421 1 14 . 1 1 31 31 LEU HA H 31 3.302 3.302 3.841 -0.539 25284 6422 1 14 . 1 1 31 31 LEU C C 31 176.503 176.503 177.286 -0.783 25284 6423 1 14 . 1 1 31 31 LEU CA C 31 57.940 57.940 56.343 1.597 25284 6424 1 14 . 1 1 31 31 LEU CB C 31 42.218 42.218 40.819 1.399 25284 6425 1 14 . 1 1 31 31 LEU H H 31 7.535 7.535 7.322 0.213 25284 6426 1 14 . 1 1 32 32 ASP N N 32 112.101 112.101 116.221 -4.120 25284 6427 1 14 . 1 1 32 32 ASP HA H 32 5.047 5.047 4.642 0.405 25284 6428 1 14 . 1 1 32 32 ASP C C 32 176.064 176.064 175.113 0.951 25284 6429 1 14 . 1 1 32 32 ASP CA C 32 53.755 53.755 54.251 -0.496 25284 6430 1 14 . 1 1 32 32 ASP CB C 32 41.824 41.824 40.983 0.841 25284 6431 1 14 . 1 1 32 32 ASP H H 32 8.087 8.087 7.763 0.324 25284 6432 1 14 . 1 1 33 33 LEU N N 33 122.380 122.380 121.598 0.782 25284 6433 1 14 . 1 1 33 33 LEU HA H 33 4.309 4.309 4.569 -0.260 25284 6434 1 14 . 1 1 33 33 LEU C C 33 174.879 174.879 175.222 -0.343 25284 6435 1 14 . 1 1 33 33 LEU CA C 33 54.566 54.566 53.578 0.988 25284 6436 1 14 . 1 1 33 33 LEU CB C 33 42.528 42.528 44.068 -1.540 25284 6437 1 14 . 1 1 33 33 LEU H H 33 7.222 7.222 7.125 0.097 25284 6438 1 14 . 1 1 34 34 ARG N N 34 116.439 116.439 123.476 -7.037 25284 6439 1 14 . 1 1 34 34 ARG HA H 34 4.725 4.725 4.347 0.378 25284 6440 1 14 . 1 1 34 34 ARG C C 34 179.778 179.778 177.056 2.722 25284 6441 1 14 . 1 1 34 34 ARG CA C 34 55.536 55.536 55.134 0.402 25284 6442 1 14 . 1 1 34 34 ARG CB C 34 30.173 30.173 31.283 -1.110 25284 6443 1 14 . 1 1 34 34 ARG H H 34 8.487 8.487 8.311 0.176 25284 6444 1 14 . 1 1 35 35 PHE N N 35 123.548 123.548 121.597 1.951 25284 6445 1 14 . 1 1 35 35 PHE HA H 35 4.385 4.385 4.109 0.276 25284 6446 1 14 . 1 1 35 35 PHE C C 35 178.776 178.776 177.754 1.022 25284 6447 1 14 . 1 1 35 35 PHE CA C 35 63.121 63.121 62.670 0.450 25284 6448 1 14 . 1 1 35 35 PHE CB C 35 37.967 37.967 38.460 -0.493 25284 6449 1 14 . 1 1 35 35 PHE H H 35 8.455 8.455 8.142 0.313 25284 6450 1 14 . 1 1 36 36 GLU N N 36 117.380 117.380 118.426 -1.046 25284 6451 1 14 . 1 1 36 36 GLU HA H 36 4.358 4.358 4.087 0.271 25284 6452 1 14 . 1 1 36 36 GLU C C 36 178.612 178.612 179.128 -0.516 25284 6453 1 14 . 1 1 36 36 GLU CA C 36 59.145 59.145 59.299 -0.154 25284 6454 1 14 . 1 1 36 36 GLU CB C 36 29.301 29.301 29.114 0.187 25284 6455 1 14 . 1 1 36 36 GLU H H 36 9.560 9.560 8.679 0.881 25284 6456 1 14 . 1 1 37 37 ASP N N 37 118.596 118.596 120.825 -2.229 25284 6457 1 14 . 1 1 37 37 ASP HA H 37 4.810 4.810 4.541 0.269 25284 6458 1 14 . 1 1 37 37 ASP C C 37 177.993 177.993 177.689 0.304 25284 6459 1 14 . 1 1 37 37 ASP CA C 37 56.474 56.474 56.493 -0.019 25284 6460 1 14 . 1 1 37 37 ASP CB C 37 41.411 41.411 41.253 0.158 25284 6461 1 14 . 1 1 37 37 ASP H H 37 7.546 7.546 7.759 -0.213 25284 6462 1 14 . 1 1 38 38 ILE N N 38 113.080 113.080 112.617 0.463 25284 6463 1 14 . 1 1 38 38 ILE HA H 38 4.663 4.663 4.506 0.157 25284 6464 1 14 . 1 1 38 38 ILE C C 38 176.140 176.140 176.025 0.115 25284 6465 1 14 . 1 1 38 38 ILE CA C 38 62.038 62.038 60.665 1.373 25284 6466 1 14 . 1 1 38 38 ILE CB C 38 38.755 38.755 37.555 1.200 25284 6467 1 14 . 1 1 38 38 ILE H H 38 7.725 7.725 7.540 0.185 25284 6468 1 14 . 1 1 39 39 GLY N N 39 107.376 107.376 108.857 -1.481 25284 6469 1 14 . 1 1 39 39 GLY C C 39 174.497 174.497 174.377 0.120 25284 6470 1 14 . 1 1 39 39 GLY CA C 39 46.580 46.580 45.901 0.679 25284 6471 1 14 . 1 1 39 39 GLY H H 39 7.736 7.736 7.553 0.183 25284 6472 1 14 . 1 1 40 40 TYR N N 40 121.883 121.883 120.575 1.308 25284 6473 1 14 . 1 1 40 40 TYR HA H 40 4.583 4.583 4.558 0.025 25284 6474 1 14 . 1 1 40 40 TYR C C 40 174.479 174.479 175.313 -0.834 25284 6475 1 14 . 1 1 40 40 TYR CA C 40 58.153 58.153 58.534 -0.381 25284 6476 1 14 . 1 1 40 40 TYR CB C 40 40.535 40.535 38.641 1.894 25284 6477 1 14 . 1 1 40 40 TYR H H 40 8.059 8.059 8.598 -0.539 25284 6478 1 14 . 1 1 41 41 ASP N N 41 124.021 124.021 123.999 0.022 25284 6479 1 14 . 1 1 41 41 ASP HA H 41 4.739 4.739 4.838 -0.099 25284 6480 1 14 . 1 1 41 41 ASP C C 41 175.831 175.831 177.102 -1.271 25284 6481 1 14 . 1 1 41 41 ASP CA C 41 52.669 52.669 53.988 -1.319 25284 6482 1 14 . 1 1 41 41 ASP CB C 41 42.015 42.015 42.994 -0.979 25284 6483 1 14 . 1 1 41 41 ASP H H 41 7.992 7.992 8.385 -0.393 25284 6484 1 14 . 1 1 42 42 SER N N 42 114.198 114.198 115.990 -1.792 25284 6485 1 14 . 1 1 42 42 SER HA H 42 4.272 4.272 4.209 0.063 25284 6486 1 14 . 1 1 42 42 SER C C 42 176.102 176.102 176.833 -0.731 25284 6487 1 14 . 1 1 42 42 SER CA C 42 60.657 60.657 61.478 -0.821 25284 6488 1 14 . 1 1 42 42 SER CB C 42 66.110 66.110 62.657 3.453 25284 6489 1 14 . 1 1 43 43 LEU N N 43 124.254 124.254 121.007 3.247 25284 6490 1 14 . 1 1 43 43 LEU HA H 43 4.269 4.269 4.139 0.130 25284 6491 1 14 . 1 1 43 43 LEU C C 43 179.140 179.140 179.033 0.107 25284 6492 1 14 . 1 1 43 43 LEU CA C 43 58.567 58.567 57.038 1.529 25284 6493 1 14 . 1 1 43 43 LEU CB C 43 41.178 41.178 40.988 0.190 25284 6494 1 14 . 1 1 43 43 LEU H H 43 7.792 7.792 8.232 -0.440 25284 6495 1 14 . 1 1 44 44 ALA N N 44 123.473 123.473 121.863 1.610 25284 6496 1 14 . 1 1 44 44 ALA HA H 44 4.318 4.318 4.143 0.175 25284 6497 1 14 . 1 1 44 44 ALA C C 44 181.903 181.903 180.062 1.841 25284 6498 1 14 . 1 1 44 44 ALA CA C 44 55.068 55.068 54.863 0.205 25284 6499 1 14 . 1 1 44 44 ALA CB C 44 18.556 18.556 18.404 0.152 25284 6500 1 14 . 1 1 44 44 ALA H H 44 8.140 8.140 8.092 0.048 25284 6501 1 14 . 1 1 45 45 LEU N N 45 121.524 121.524 121.121 0.403 25284 6502 1 14 . 1 1 45 45 LEU HA H 45 3.898 3.898 4.107 -0.209 25284 6503 1 14 . 1 1 45 45 LEU C C 45 179.040 179.040 178.531 0.509 25284 6504 1 14 . 1 1 45 45 LEU CA C 45 58.475 58.475 57.566 0.908 25284 6505 1 14 . 1 1 45 45 LEU CB C 45 41.780 41.780 40.961 0.819 25284 6506 1 14 . 1 1 45 45 LEU H H 45 8.442 8.442 7.978 0.464 25284 6507 1 14 . 1 1 46 46 MET N N 46 119.769 119.769 118.271 1.498 25284 6508 1 14 . 1 1 46 46 MET HA H 46 4.265 4.265 3.922 0.343 25284 6509 1 14 . 1 1 46 46 MET C C 46 180.609 180.609 178.579 2.030 25284 6510 1 14 . 1 1 46 46 MET CA C 46 58.853 58.853 59.971 -1.118 25284 6511 1 14 . 1 1 46 46 MET CB C 46 32.119 32.119 31.888 0.231 25284 6512 1 14 . 1 1 46 46 MET H H 46 8.234 8.234 8.096 0.138 25284 6513 1 14 . 1 1 47 47 GLU N N 47 121.097 121.097 119.552 1.545 25284 6514 1 14 . 1 1 47 47 GLU HA H 47 4.228 4.228 4.057 0.171 25284 6515 1 14 . 1 1 47 47 GLU C C 47 179.333 179.333 179.359 -0.026 25284 6516 1 14 . 1 1 47 47 GLU CA C 47 59.644 59.644 59.722 -0.078 25284 6517 1 14 . 1 1 47 47 GLU CB C 47 28.977 28.977 29.312 -0.335 25284 6518 1 14 . 1 1 47 47 GLU H H 47 8.517 8.517 8.368 0.149 25284 6519 1 14 . 1 1 48 48 THR N N 48 118.834 118.834 116.572 2.262 25284 6520 1 14 . 1 1 48 48 THR HA H 48 3.961 3.961 4.122 -0.161 25284 6521 1 14 . 1 1 48 48 THR C C 48 176.348 176.348 176.500 -0.152 25284 6522 1 14 . 1 1 48 48 THR CA C 48 67.842 67.842 66.217 1.625 25284 6523 1 14 . 1 1 48 48 THR CB C 48 68.056 68.056 68.903 -0.847 25284 6524 1 14 . 1 1 48 48 THR H H 48 8.325 8.325 7.842 0.483 25284 6525 1 14 . 1 1 49 49 ALA N N 49 123.924 123.924 123.465 0.459 25284 6526 1 14 . 1 1 49 49 ALA HA H 49 3.926 3.926 4.037 -0.111 25284 6527 1 14 . 1 1 49 49 ALA C C 49 178.608 178.608 179.372 -0.764 25284 6528 1 14 . 1 1 49 49 ALA CA C 49 56.247 56.247 55.116 1.131 25284 6529 1 14 . 1 1 49 49 ALA CB C 49 17.569 17.569 18.154 -0.585 25284 6530 1 14 . 1 1 49 49 ALA H H 49 8.747 8.747 8.388 0.359 25284 6531 1 14 . 1 1 50 50 ALA N N 50 119.691 119.691 120.832 -1.141 25284 6532 1 14 . 1 1 50 50 ALA HA H 50 4.269 4.269 4.389 -0.120 25284 6533 1 14 . 1 1 50 50 ALA C C 50 181.310 181.310 179.299 2.011 25284 6534 1 14 . 1 1 50 50 ALA CA C 50 55.422 55.422 54.579 0.843 25284 6535 1 14 . 1 1 50 50 ALA CB C 50 18.171 18.171 18.449 -0.278 25284 6536 1 14 . 1 1 50 50 ALA H H 50 8.245 8.245 8.682 -0.437 25284 6537 1 14 . 1 1 51 51 ARG N N 51 119.913 119.913 119.486 0.427 25284 6538 1 14 . 1 1 51 51 ARG HA H 51 4.247 4.247 4.146 0.101 25284 6539 1 14 . 1 1 51 51 ARG C C 51 179.808 179.808 178.721 1.087 25284 6540 1 14 . 1 1 51 51 ARG CA C 51 59.673 59.673 58.394 1.279 25284 6541 1 14 . 1 1 51 51 ARG CB C 51 30.539 30.539 29.884 0.655 25284 6542 1 14 . 1 1 51 51 ARG H H 51 8.129 8.129 7.619 0.510 25284 6543 1 14 . 1 1 52 52 LEU N N 52 120.624 120.624 119.795 0.829 25284 6544 1 14 . 1 1 52 52 LEU HA H 52 4.319 4.319 4.193 0.126 25284 6545 1 14 . 1 1 52 52 LEU C C 52 179.192 179.192 178.951 0.241 25284 6546 1 14 . 1 1 52 52 LEU CA C 52 58.253 58.253 58.025 0.228 25284 6547 1 14 . 1 1 52 52 LEU CB C 52 42.812 42.812 41.713 1.099 25284 6548 1 14 . 1 1 52 52 LEU H H 52 8.423 8.423 7.758 0.665 25284 6549 1 14 . 1 1 53 53 GLU N N 53 119.779 119.779 120.652 -0.873 25284 6550 1 14 . 1 1 53 53 GLU HA H 53 4.108 4.108 4.008 0.100 25284 6551 1 14 . 1 1 53 53 GLU C C 53 179.388 179.388 179.627 -0.239 25284 6552 1 14 . 1 1 53 53 GLU CA C 53 60.211 60.211 59.938 0.273 25284 6553 1 14 . 1 1 53 53 GLU CB C 53 29.143 29.143 29.341 -0.198 25284 6554 1 14 . 1 1 53 53 GLU H H 53 8.974 8.974 8.765 0.209 25284 6555 1 14 . 1 1 54 54 SER N N 54 113.169 113.169 114.007 -0.838 25284 6556 1 14 . 1 1 54 54 SER HA H 54 4.384 4.384 4.260 0.124 25284 6557 1 14 . 1 1 54 54 SER C C 54 176.953 176.953 175.674 1.279 25284 6558 1 14 . 1 1 54 54 SER CA C 54 61.279 61.279 61.890 -0.611 25284 6559 1 14 . 1 1 54 54 SER CB C 54 63.402 63.402 63.095 0.307 25284 6560 1 14 . 1 1 54 54 SER H H 54 8.037 8.037 8.411 -0.374 25284 6561 1 14 . 1 1 55 55 ARG N N 55 120.851 120.851 119.700 1.151 25284 6562 1 14 . 1 1 55 55 ARG HA H 55 4.100 4.100 4.160 -0.060 25284 6563 1 14 . 1 1 55 55 ARG C C 55 177.905 177.905 177.560 0.345 25284 6564 1 14 . 1 1 55 55 ARG CA C 55 58.949 58.949 57.856 1.093 25284 6565 1 14 . 1 1 55 55 ARG CB C 55 30.896 30.896 30.473 0.423 25284 6566 1 14 . 1 1 55 55 ARG H H 55 8.099 8.099 7.426 0.673 25284 6567 1 14 . 1 1 56 56 TYR N N 56 113.669 113.669 115.624 -1.955 25284 6568 1 14 . 1 1 56 56 TYR HA H 56 4.687 4.687 4.547 0.140 25284 6569 1 14 . 1 1 56 56 TYR C C 56 176.069 176.069 176.199 -0.130 25284 6570 1 14 . 1 1 56 56 TYR CA C 56 59.055 59.055 58.932 0.123 25284 6571 1 14 . 1 1 56 56 TYR CB C 56 39.465 39.465 39.563 -0.098 25284 6572 1 14 . 1 1 56 56 TYR H H 56 8.158 8.158 8.170 -0.012 25284 6573 1 14 . 1 1 57 57 GLY N N 57 109.856 109.856 109.114 0.742 25284 6574 1 14 . 1 1 57 57 GLY C C 57 174.642 174.642 173.856 0.786 25284 6575 1 14 . 1 1 57 57 GLY CA C 57 47.476 47.476 45.022 2.454 25284 6576 1 14 . 1 1 57 57 GLY H H 57 7.982 7.982 8.109 -0.127 25284 6577 1 14 . 1 1 58 58 VAL N N 58 112.572 112.572 116.047 -3.475 25284 6578 1 14 . 1 1 58 58 VAL HA H 58 4.676 4.676 4.587 0.089 25284 6579 1 14 . 1 1 58 58 VAL C C 58 174.069 174.069 173.797 0.272 25284 6580 1 14 . 1 1 58 58 VAL CA C 58 59.313 59.313 59.547 -0.234 25284 6581 1 14 . 1 1 58 58 VAL CB C 58 34.744 34.744 34.816 -0.071 25284 6582 1 14 . 1 1 58 58 VAL H H 58 7.497 7.497 7.407 0.090 25284 6583 1 14 . 1 1 59 59 SER N N 59 117.179 117.179 114.969 2.210 25284 6584 1 14 . 1 1 59 59 SER HA H 59 4.846 4.846 5.188 -0.342 25284 6585 1 14 . 1 1 59 59 SER C C 59 173.699 173.699 173.441 0.258 25284 6586 1 14 . 1 1 59 59 SER CA C 59 57.401 57.401 58.008 -0.607 25284 6587 1 14 . 1 1 59 59 SER CB C 59 64.502 64.502 64.388 0.114 25284 6588 1 14 . 1 1 59 59 SER H H 59 8.489 8.489 8.147 0.342 25284 6589 1 14 . 1 1 60 60 ILE N N 60 125.858 125.858 126.686 -0.828 25284 6590 1 14 . 1 1 60 60 ILE HA H 60 4.651 4.651 4.569 0.082 25284 6591 1 14 . 1 1 60 60 ILE CA C 60 57.694 57.694 58.356 -0.662 25284 6592 1 14 . 1 1 60 60 ILE CB C 60 40.500 40.500 39.109 1.391 25284 6593 1 14 . 1 1 60 60 ILE H H 60 8.222 8.222 9.213 -0.990 25284 6594 1 14 . 1 1 61 61 PRO HA H 61 4.530 4.530 4.377 0.153 25284 6595 1 14 . 1 1 61 61 PRO C C 61 177.512 177.512 176.658 0.854 25284 6596 1 14 . 1 1 61 61 PRO CA C 61 63.561 63.561 62.904 0.657 25284 6597 1 14 . 1 1 61 61 PRO CB C 61 32.770 32.770 32.340 0.430 25284 6598 1 14 . 1 1 62 62 ASP N N 62 123.459 123.459 124.173 -0.714 25284 6599 1 14 . 1 1 62 62 ASP HA H 62 4.449 4.449 4.202 0.247 25284 6600 1 14 . 1 1 62 62 ASP C C 62 177.284 177.284 178.429 -1.145 25284 6601 1 14 . 1 1 62 62 ASP CA C 62 57.112 57.112 57.919 -0.807 25284 6602 1 14 . 1 1 62 62 ASP CB C 62 40.740 40.740 40.728 0.012 25284 6603 1 14 . 1 1 62 62 ASP H H 62 8.831 8.831 8.777 0.054 25284 6604 1 14 . 1 1 63 63 ASP N N 63 116.794 116.794 117.768 -0.974 25284 6605 1 14 . 1 1 63 63 ASP HA H 63 4.529 4.529 4.456 0.073 25284 6606 1 14 . 1 1 63 63 ASP C C 63 177.294 177.294 178.166 -0.872 25284 6607 1 14 . 1 1 63 63 ASP CA C 63 54.956 54.956 56.409 -1.453 25284 6608 1 14 . 1 1 63 63 ASP CB C 63 39.687 39.687 40.771 -1.084 25284 6609 1 14 . 1 1 63 63 ASP H H 63 8.617 8.617 8.551 0.066 25284 6610 1 14 . 1 1 64 64 VAL N N 64 119.209 119.209 119.060 0.149 25284 6611 1 14 . 1 1 64 64 VAL HA H 64 3.812 3.812 3.792 0.020 25284 6612 1 14 . 1 1 64 64 VAL C C 64 177.556 177.556 177.643 -0.087 25284 6613 1 14 . 1 1 64 64 VAL CA C 64 65.179 65.179 64.750 0.429 25284 6614 1 14 . 1 1 64 64 VAL CB C 64 32.413 32.413 31.054 1.359 25284 6615 1 14 . 1 1 64 64 VAL H H 64 7.407 7.407 7.642 -0.235 25284 6616 1 14 . 1 1 65 65 ALA N N 65 122.418 122.418 122.812 -0.394 25284 6617 1 14 . 1 1 65 65 ALA HA H 65 3.987 3.987 4.231 -0.244 25284 6618 1 14 . 1 1 65 65 ALA C C 65 177.994 177.994 178.901 -0.907 25284 6619 1 14 . 1 1 65 65 ALA CA C 65 54.842 54.842 54.827 0.015 25284 6620 1 14 . 1 1 65 65 ALA CB C 65 18.522 18.522 18.678 -0.157 25284 6621 1 14 . 1 1 65 65 ALA H H 65 8.246 8.246 7.562 0.684 25284 6622 1 14 . 1 1 66 66 GLY N N 66 100.378 100.378 103.950 -3.572 25284 6623 1 14 . 1 1 66 66 GLY C C 66 174.387 174.387 174.456 -0.069 25284 6624 1 14 . 1 1 66 66 GLY CA C 66 46.015 46.015 45.033 0.982 25284 6625 1 14 . 1 1 66 66 GLY H H 66 8.021 8.021 7.806 0.215 25284 6626 1 14 . 1 1 67 67 ARG N N 67 116.838 116.838 119.005 -2.167 25284 6627 1 14 . 1 1 67 67 ARG HA H 67 4.623 4.623 4.578 0.045 25284 6628 1 14 . 1 1 67 67 ARG C C 67 176.509 176.509 175.977 0.532 25284 6629 1 14 . 1 1 67 67 ARG CA C 67 55.883 55.883 55.542 0.341 25284 6630 1 14 . 1 1 67 67 ARG CB C 67 31.911 31.911 31.509 0.403 25284 6631 1 14 . 1 1 67 67 ARG H H 67 7.483 7.483 7.515 -0.032 25284 6632 1 14 . 1 1 68 68 VAL N N 68 114.649 114.649 118.196 -3.547 25284 6633 1 14 . 1 1 68 68 VAL HA H 68 4.468 4.468 4.265 0.203 25284 6634 1 14 . 1 1 68 68 VAL C C 68 175.192 175.192 174.982 0.210 25284 6635 1 14 . 1 1 68 68 VAL CA C 68 61.819 61.819 60.868 0.951 25284 6636 1 14 . 1 1 68 68 VAL CB C 68 33.624 33.624 33.024 0.600 25284 6637 1 14 . 1 1 68 68 VAL H H 68 7.284 7.284 7.339 -0.055 25284 6638 1 14 . 1 1 69 69 ASP N N 69 120.972 120.972 121.983 -1.011 25284 6639 1 14 . 1 1 69 69 ASP HA H 69 5.264 5.264 4.847 0.417 25284 6640 1 14 . 1 1 69 69 ASP C C 69 176.970 176.970 175.567 1.403 25284 6641 1 14 . 1 1 69 69 ASP CA C 69 55.811 55.811 56.121 -0.310 25284 6642 1 14 . 1 1 69 69 ASP CB C 69 44.441 44.441 42.029 2.412 25284 6643 1 14 . 1 1 69 69 ASP H H 69 9.167 9.167 8.848 0.319 25284 6644 1 14 . 1 1 70 70 THR N N 70 108.311 108.311 108.132 0.179 25284 6645 1 14 . 1 1 70 70 THR HA H 70 4.939 4.939 4.738 0.201 25284 6646 1 14 . 1 1 70 70 THR CA C 70 57.823 57.823 58.648 -0.825 25284 6647 1 14 . 1 1 70 70 THR CB C 70 71.412 71.412 70.196 1.216 25284 6648 1 14 . 1 1 70 70 THR H H 70 7.477 7.477 7.631 -0.154 25284 6649 1 14 . 1 1 71 71 PRO HA H 71 4.235 4.235 4.281 -0.046 25284 6650 1 14 . 1 1 71 71 PRO C C 71 177.422 177.422 177.889 -0.467 25284 6651 1 14 . 1 1 71 71 PRO CA C 71 66.002 66.002 66.059 -0.057 25284 6652 1 14 . 1 1 71 71 PRO CB C 71 32.686 32.686 31.596 1.089 25284 6653 1 14 . 1 1 72 72 ARG N N 72 117.972 117.972 115.971 2.001 25284 6654 1 14 . 1 1 72 72 ARG HA H 72 3.609 3.609 4.032 -0.423 25284 6655 1 14 . 1 1 72 72 ARG C C 72 177.616 177.616 178.330 -0.714 25284 6656 1 14 . 1 1 72 72 ARG CA C 72 60.243 60.243 59.237 1.006 25284 6657 1 14 . 1 1 72 72 ARG CB C 72 30.524 30.524 29.159 1.365 25284 6658 1 14 . 1 1 72 72 ARG H H 72 9.016 9.016 8.287 0.729 25284 6659 1 14 . 1 1 73 73 GLU N N 73 116.790 116.790 120.131 -3.341 25284 6660 1 14 . 1 1 73 73 GLU HA H 73 4.242 4.242 4.129 0.113 25284 6661 1 14 . 1 1 73 73 GLU C C 73 180.200 180.200 178.851 1.349 25284 6662 1 14 . 1 1 73 73 GLU CA C 73 59.226 59.226 58.824 0.402 25284 6663 1 14 . 1 1 73 73 GLU CB C 73 30.069 30.069 28.956 1.113 25284 6664 1 14 . 1 1 73 73 GLU H H 73 7.838 7.838 7.922 -0.084 25284 6665 1 14 . 1 1 74 74 LEU N N 74 120.656 120.656 121.753 -1.097 25284 6666 1 14 . 1 1 74 74 LEU HA H 74 4.313 4.313 4.179 0.134 25284 6667 1 14 . 1 1 74 74 LEU C C 74 177.023 177.023 178.180 -1.157 25284 6668 1 14 . 1 1 74 74 LEU CA C 74 58.179 58.179 57.236 0.943 25284 6669 1 14 . 1 1 74 74 LEU CB C 74 42.292 42.292 41.519 0.773 25284 6670 1 14 . 1 1 74 74 LEU H H 74 7.703 7.703 7.389 0.314 25284 6671 1 14 . 1 1 75 75 LEU N N 75 121.434 121.434 120.492 0.942 25284 6672 1 14 . 1 1 75 75 LEU HA H 75 3.894 3.894 3.905 -0.011 25284 6673 1 14 . 1 1 75 75 LEU C C 75 178.169 178.169 178.802 -0.633 25284 6674 1 14 . 1 1 75 75 LEU CA C 75 58.562 58.562 58.947 -0.385 25284 6675 1 14 . 1 1 75 75 LEU CB C 75 42.408 42.408 40.472 1.935 25284 6676 1 14 . 1 1 75 75 LEU H H 75 8.743 8.743 8.465 0.278 25284 6677 1 14 . 1 1 76 76 ASP N N 76 117.849 117.849 118.581 -0.732 25284 6678 1 14 . 1 1 76 76 ASP HA H 76 4.488 4.488 4.339 0.149 25284 6679 1 14 . 1 1 76 76 ASP C C 76 180.127 180.127 178.770 1.357 25284 6680 1 14 . 1 1 76 76 ASP CA C 76 57.487 57.487 57.220 0.267 25284 6681 1 14 . 1 1 76 76 ASP CB C 76 40.085 40.085 40.946 -0.861 25284 6682 1 14 . 1 1 76 76 ASP H H 76 8.711 8.711 7.967 0.744 25284 6683 1 14 . 1 1 77 77 LEU N N 77 123.252 123.252 120.655 2.597 25284 6684 1 14 . 1 1 77 77 LEU HA H 77 4.303 4.303 3.964 0.339 25284 6685 1 14 . 1 1 77 77 LEU C C 77 180.621 180.621 179.104 1.517 25284 6686 1 14 . 1 1 77 77 LEU CA C 77 58.439 58.439 57.917 0.522 25284 6687 1 14 . 1 1 77 77 LEU CB C 77 42.905 42.905 41.896 1.009 25284 6688 1 14 . 1 1 77 77 LEU H H 77 8.009 8.009 7.440 0.569 25284 6689 1 14 . 1 1 78 78 ILE N N 78 120.216 120.216 119.950 0.266 25284 6690 1 14 . 1 1 78 78 ILE HA H 78 3.750 3.750 3.613 0.137 25284 6691 1 14 . 1 1 78 78 ILE C C 78 177.713 177.713 178.284 -0.571 25284 6692 1 14 . 1 1 78 78 ILE CA C 78 64.757 64.757 64.322 0.435 25284 6693 1 14 . 1 1 78 78 ILE CB C 78 37.402 37.402 36.552 0.850 25284 6694 1 14 . 1 1 78 78 ILE H H 78 8.294 8.294 8.064 0.230 25284 6695 1 14 . 1 1 79 79 ASN N N 79 118.191 118.191 118.257 -0.066 25284 6696 1 14 . 1 1 79 79 ASN HA H 79 4.912 4.912 4.450 0.462 25284 6697 1 14 . 1 1 79 79 ASN C C 79 179.524 179.524 178.390 1.134 25284 6698 1 14 . 1 1 79 79 ASN CA C 79 55.473 55.473 55.987 -0.514 25284 6699 1 14 . 1 1 79 79 ASN CB C 79 37.331 37.331 37.814 -0.483 25284 6700 1 14 . 1 1 79 79 ASN H H 79 8.887 8.887 8.735 0.152 25284 6701 1 14 . 1 1 80 80 GLY N N 80 110.387 110.387 108.414 1.973 25284 6702 1 14 . 1 1 80 80 GLY C C 80 175.783 175.783 175.355 0.428 25284 6703 1 14 . 1 1 80 80 GLY CA C 80 47.166 47.166 46.660 0.506 25284 6704 1 14 . 1 1 80 80 GLY H H 80 8.436 8.436 8.187 0.249 25284 6705 1 14 . 1 1 81 81 ALA N N 81 124.420 124.420 124.485 -0.065 25284 6706 1 14 . 1 1 81 81 ALA HA H 81 4.460 4.460 4.258 0.202 25284 6707 1 14 . 1 1 81 81 ALA C C 81 179.892 179.892 179.374 0.518 25284 6708 1 14 . 1 1 81 81 ALA CA C 81 54.389 54.389 54.465 -0.076 25284 6709 1 14 . 1 1 81 81 ALA CB C 81 18.824 18.824 18.522 0.302 25284 6710 1 14 . 1 1 81 81 ALA H H 81 7.606 7.606 7.785 -0.179 25284 6711 1 14 . 1 1 82 82 LEU N N 82 120.239 120.239 118.380 1.859 25284 6712 1 14 . 1 1 82 82 LEU HA H 82 4.214 4.214 4.182 0.032 25284 6713 1 14 . 1 1 82 82 LEU C C 82 178.884 178.884 177.488 1.396 25284 6714 1 14 . 1 1 82 82 LEU CA C 82 57.098 57.098 56.379 0.719 25284 6715 1 14 . 1 1 82 82 LEU CB C 82 42.739 42.739 42.145 0.594 25284 6716 1 14 . 1 1 82 82 LEU H H 82 8.285 8.285 8.291 -0.006 25284 6717 1 14 . 1 1 83 83 ALA N N 83 121.614 121.614 121.108 0.506 25284 6718 1 14 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.165 0.134 25284 6719 1 14 . 1 1 83 83 ALA C C 83 178.788 178.788 178.747 0.041 25284 6720 1 14 . 1 1 83 83 ALA CA C 83 54.049 54.049 54.442 -0.393 25284 6721 1 14 . 1 1 83 83 ALA CB C 83 18.944 18.944 18.566 0.378 25284 6722 1 14 . 1 1 83 83 ALA H H 83 7.973 7.973 7.319 0.654 25284 6723 1 14 . 1 1 84 84 GLU N N 84 117.412 117.412 117.956 -0.544 25284 6724 1 14 . 1 1 84 84 GLU HA H 84 4.385 4.385 4.388 -0.003 25284 6725 1 14 . 1 1 84 84 GLU C C 84 176.406 176.406 175.272 1.134 25284 6726 1 14 . 1 1 84 84 GLU CA C 84 56.872 56.872 55.838 1.034 25284 6727 1 14 . 1 1 84 84 GLU CB C 84 29.773 29.773 29.460 0.313 25284 6728 1 14 . 1 1 84 84 GLU H H 84 7.753 7.753 8.038 -0.285 25284 6729 1 14 . 1 1 85 85 ALA N N 85 124.256 124.256 119.520 4.736 25284 6730 1 14 . 1 1 85 85 ALA HA H 85 4.471 4.471 4.642 -0.171 25284 6731 1 14 . 1 1 85 85 ALA C C 85 176.625 176.625 175.156 1.469 25284 6732 1 14 . 1 1 85 85 ALA CA C 85 52.679 52.679 51.325 1.354 25284 6733 1 14 . 1 1 85 85 ALA CB C 85 19.702 19.702 20.825 -1.123 25284 6734 1 14 . 1 1 85 85 ALA H H 85 7.832 7.832 7.034 0.798 25284 6735 1 15 . 1 1 2 2 ALA HA H 2 4.279 4.279 4.632 -0.353 25284 6736 1 15 . 1 1 2 2 ALA C C 2 173.785 173.785 177.276 -3.491 25284 6737 1 15 . 1 1 2 2 ALA CA C 2 52.136 52.136 51.613 0.523 25284 6738 1 15 . 1 1 2 2 ALA CB C 2 20.083 20.083 19.249 0.834 25284 6739 1 15 . 1 1 3 3 THR N N 3 117.799 117.799 121.752 -3.953 25284 6740 1 15 . 1 1 3 3 THR HA H 3 4.398 4.398 4.340 0.058 25284 6741 1 15 . 1 1 3 3 THR C C 3 172.979 172.979 173.244 -0.265 25284 6742 1 15 . 1 1 3 3 THR CA C 3 62.907 62.907 62.652 0.255 25284 6743 1 15 . 1 1 3 3 THR CB C 3 70.082 70.082 68.274 1.808 25284 6744 1 15 . 1 1 3 3 THR H H 3 8.703 8.703 8.702 0.001 25284 6745 1 15 . 1 1 4 4 LEU N N 4 124.656 124.656 125.677 -1.021 25284 6746 1 15 . 1 1 4 4 LEU HA H 4 4.373 4.373 4.545 -0.172 25284 6747 1 15 . 1 1 4 4 LEU C C 4 177.215 177.215 175.113 2.102 25284 6748 1 15 . 1 1 4 4 LEU CA C 4 54.852 54.852 53.361 1.491 25284 6749 1 15 . 1 1 4 4 LEU CB C 4 42.864 42.864 45.267 -2.404 25284 6750 1 15 . 1 1 4 4 LEU H H 4 8.155 8.155 7.849 0.306 25284 6751 1 15 . 1 1 5 5 LEU N N 5 124.772 124.772 126.674 -1.902 25284 6752 1 15 . 1 1 5 5 LEU HA H 5 4.530 4.530 4.303 0.227 25284 6753 1 15 . 1 1 5 5 LEU C C 5 177.915 177.915 176.262 1.653 25284 6754 1 15 . 1 1 5 5 LEU CA C 5 55.564 55.564 54.792 0.772 25284 6755 1 15 . 1 1 5 5 LEU CB C 5 42.806 42.806 41.961 0.845 25284 6756 1 15 . 1 1 5 5 LEU H H 5 9.421 9.421 8.236 1.185 25284 6757 1 15 . 1 1 6 6 THR N N 6 115.077 115.077 117.329 -2.252 25284 6758 1 15 . 1 1 6 6 THR HA H 6 4.745 4.745 4.679 0.066 25284 6759 1 15 . 1 1 6 6 THR C C 6 175.958 175.958 175.202 0.756 25284 6760 1 15 . 1 1 6 6 THR CA C 6 60.159 60.159 60.075 0.084 25284 6761 1 15 . 1 1 6 6 THR CB C 6 72.442 72.442 70.371 2.071 25284 6762 1 15 . 1 1 6 6 THR H H 6 9.006 9.006 7.931 1.075 25284 6763 1 15 . 1 1 7 7 THR N N 7 115.895 115.895 116.430 -0.535 25284 6764 1 15 . 1 1 7 7 THR HA H 7 3.867 3.867 4.010 -0.143 25284 6765 1 15 . 1 1 7 7 THR C C 7 176.622 176.622 176.720 -0.098 25284 6766 1 15 . 1 1 7 7 THR CA C 7 67.331 67.331 67.061 0.270 25284 6767 1 15 . 1 1 7 7 THR CB C 7 68.496 68.496 68.547 -0.051 25284 6768 1 15 . 1 1 7 7 THR H H 7 8.864 8.864 8.384 0.480 25284 6769 1 15 . 1 1 8 8 ASP N N 8 120.253 120.253 119.981 0.272 25284 6770 1 15 . 1 1 8 8 ASP HA H 8 4.629 4.629 4.485 0.144 25284 6771 1 15 . 1 1 8 8 ASP C C 8 178.593 178.593 178.266 0.327 25284 6772 1 15 . 1 1 8 8 ASP CA C 8 57.740 57.740 58.356 -0.616 25284 6773 1 15 . 1 1 8 8 ASP CB C 8 41.273 41.273 40.327 0.946 25284 6774 1 15 . 1 1 8 8 ASP H H 8 8.289 8.289 8.731 -0.442 25284 6775 1 15 . 1 1 9 9 ASP N N 9 120.653 120.653 119.741 0.912 25284 6776 1 15 . 1 1 9 9 ASP HA H 9 4.560 4.560 4.523 0.037 25284 6777 1 15 . 1 1 9 9 ASP C C 9 179.465 179.465 178.269 1.196 25284 6778 1 15 . 1 1 9 9 ASP CA C 9 57.608 57.608 56.758 0.850 25284 6779 1 15 . 1 1 9 9 ASP CB C 9 41.559 41.559 41.355 0.204 25284 6780 1 15 . 1 1 9 9 ASP H H 9 7.916 7.916 7.503 0.413 25284 6781 1 15 . 1 1 10 10 LEU N N 10 121.585 121.585 121.513 0.072 25284 6782 1 15 . 1 1 10 10 LEU HA H 10 4.216 4.216 4.095 0.121 25284 6783 1 15 . 1 1 10 10 LEU C C 10 177.517 177.517 178.269 -0.752 25284 6784 1 15 . 1 1 10 10 LEU CA C 10 58.031 58.031 57.616 0.415 25284 6785 1 15 . 1 1 10 10 LEU CB C 10 42.146 42.146 42.020 0.126 25284 6786 1 15 . 1 1 10 10 LEU H H 10 8.086 8.086 8.238 -0.152 25284 6787 1 15 . 1 1 11 11 ARG N N 11 120.099 120.099 118.569 1.530 25284 6788 1 15 . 1 1 11 11 ARG HA H 11 3.514 3.514 3.465 0.049 25284 6789 1 15 . 1 1 11 11 ARG C C 11 177.769 177.769 178.271 -0.502 25284 6790 1 15 . 1 1 11 11 ARG CA C 11 60.715 60.715 59.644 1.071 25284 6791 1 15 . 1 1 11 11 ARG CB C 11 30.775 30.775 29.880 0.895 25284 6792 1 15 . 1 1 11 11 ARG H H 11 8.852 8.852 8.713 0.139 25284 6793 1 15 . 1 1 12 12 ARG N N 12 115.840 115.840 118.539 -2.699 25284 6794 1 15 . 1 1 12 12 ARG HA H 12 4.032 4.032 4.016 0.016 25284 6795 1 15 . 1 1 12 12 ARG C C 12 178.492 178.492 178.391 0.101 25284 6796 1 15 . 1 1 12 12 ARG CA C 12 59.592 59.592 59.165 0.427 25284 6797 1 15 . 1 1 12 12 ARG CB C 12 30.583 30.583 29.996 0.587 25284 6798 1 15 . 1 1 12 12 ARG H H 12 7.996 7.996 7.573 0.423 25284 6799 1 15 . 1 1 13 13 ALA N N 13 120.184 120.184 122.674 -2.490 25284 6800 1 15 . 1 1 13 13 ALA HA H 13 4.401 4.401 4.497 -0.096 25284 6801 1 15 . 1 1 13 13 ALA C C 13 180.114 180.114 179.684 0.430 25284 6802 1 15 . 1 1 13 13 ALA CA C 13 54.938 54.938 54.556 0.383 25284 6803 1 15 . 1 1 13 13 ALA CB C 13 18.756 18.756 18.689 0.067 25284 6804 1 15 . 1 1 13 13 ALA H H 13 7.705 7.705 7.576 0.129 25284 6805 1 15 . 1 1 14 14 LEU N N 14 119.427 119.427 118.622 0.805 25284 6806 1 15 . 1 1 14 14 LEU HA H 14 4.424 4.424 4.265 0.159 25284 6807 1 15 . 1 1 14 14 LEU C C 14 179.766 179.766 178.408 1.358 25284 6808 1 15 . 1 1 14 14 LEU CA C 14 57.568 57.568 57.127 0.441 25284 6809 1 15 . 1 1 14 14 LEU CB C 14 42.039 42.039 41.949 0.090 25284 6810 1 15 . 1 1 14 14 LEU H H 14 8.424 8.424 8.636 -0.212 25284 6811 1 15 . 1 1 15 15 VAL N N 15 121.004 121.004 120.442 0.562 25284 6812 1 15 . 1 1 15 15 VAL HA H 15 3.920 3.920 3.737 0.183 25284 6813 1 15 . 1 1 15 15 VAL C C 15 179.014 179.014 178.040 0.974 25284 6814 1 15 . 1 1 15 15 VAL CA C 15 66.259 66.259 66.800 -0.541 25284 6815 1 15 . 1 1 15 15 VAL CB C 15 32.137 32.137 31.775 0.362 25284 6816 1 15 . 1 1 15 15 VAL H H 15 8.519 8.519 7.545 0.974 25284 6817 1 15 . 1 1 16 16 GLU N N 16 119.984 119.984 121.041 -1.057 25284 6818 1 15 . 1 1 16 16 GLU HA H 16 4.206 4.206 4.049 0.157 25284 6819 1 15 . 1 1 16 16 GLU C C 16 178.547 178.547 178.311 0.236 25284 6820 1 15 . 1 1 16 16 GLU CA C 16 59.042 59.042 59.560 -0.518 25284 6821 1 15 . 1 1 16 16 GLU CB C 16 29.692 29.692 29.516 0.176 25284 6822 1 15 . 1 1 16 16 GLU H H 16 8.218 8.218 8.354 -0.136 25284 6823 1 15 . 1 1 17 17 SER N N 17 113.928 113.928 112.382 1.546 25284 6824 1 15 . 1 1 17 17 SER HA H 17 4.577 4.577 4.492 0.085 25284 6825 1 15 . 1 1 17 17 SER C C 17 174.273 174.273 174.070 0.203 25284 6826 1 15 . 1 1 17 17 SER CA C 17 59.940 59.940 59.478 0.462 25284 6827 1 15 . 1 1 17 17 SER CB C 17 64.378 64.378 63.984 0.394 25284 6828 1 15 . 1 1 17 17 SER H H 17 7.798 7.798 7.914 -0.116 25284 6829 1 15 . 1 1 18 18 ALA N N 18 123.357 123.357 121.039 2.318 25284 6830 1 15 . 1 1 18 18 ALA HA H 18 4.347 4.347 4.502 -0.155 25284 6831 1 15 . 1 1 18 18 ALA C C 18 178.292 178.292 176.511 1.781 25284 6832 1 15 . 1 1 18 18 ALA CA C 18 52.991 52.991 50.938 2.053 25284 6833 1 15 . 1 1 18 18 ALA CB C 18 19.965 19.965 20.537 -0.572 25284 6834 1 15 . 1 1 18 18 ALA H H 18 7.813 7.813 7.534 0.279 25284 6835 1 15 . 1 1 19 19 GLY N N 19 107.711 107.711 107.388 0.323 25284 6836 1 15 . 1 1 19 19 GLY C C 19 174.440 174.440 173.529 0.911 25284 6837 1 15 . 1 1 19 19 GLY CA C 19 45.650 45.650 45.765 -0.115 25284 6838 1 15 . 1 1 19 19 GLY H H 19 8.256 8.256 8.394 -0.138 25284 6839 1 15 . 1 1 20 20 GLU N N 20 120.763 120.763 121.611 -0.848 25284 6840 1 15 . 1 1 20 20 GLU HA H 20 4.477 4.477 4.441 0.036 25284 6841 1 15 . 1 1 20 20 GLU C C 20 176.905 176.905 176.905 0.000 25284 6842 1 15 . 1 1 20 20 GLU CA C 20 56.896 56.896 57.136 -0.240 25284 6843 1 15 . 1 1 20 20 GLU CB C 20 30.160 30.160 29.462 0.698 25284 6844 1 15 . 1 1 20 20 GLU H H 20 8.508 8.508 8.438 0.070 25284 6845 1 15 . 1 1 21 21 THR N N 21 114.316 114.316 114.445 -0.129 25284 6846 1 15 . 1 1 21 21 THR HA H 21 4.529 4.529 4.189 0.340 25284 6847 1 15 . 1 1 21 21 THR C C 21 174.564 174.564 173.388 1.176 25284 6848 1 15 . 1 1 21 21 THR CA C 21 61.942 61.942 63.049 -1.107 25284 6849 1 15 . 1 1 21 21 THR CB C 21 70.323 70.323 68.710 1.613 25284 6850 1 15 . 1 1 21 21 THR H H 21 8.258 8.258 7.940 0.318 25284 6851 1 15 . 1 1 22 22 ASP N N 22 122.479 122.479 116.768 5.711 25284 6852 1 15 . 1 1 22 22 ASP HA H 22 4.728 4.728 4.673 0.055 25284 6853 1 15 . 1 1 22 22 ASP C C 22 176.913 176.913 175.607 1.306 25284 6854 1 15 . 1 1 22 22 ASP CA C 22 54.806 54.806 54.689 0.117 25284 6855 1 15 . 1 1 22 22 ASP CB C 22 41.144 41.144 43.128 -1.984 25284 6856 1 15 . 1 1 22 22 ASP H H 22 8.506 8.506 7.255 1.251 25284 6857 1 15 . 1 1 23 23 GLY N N 23 109.608 109.608 112.305 -2.697 25284 6858 1 15 . 1 1 23 23 GLY C C 23 174.806 174.806 174.424 0.382 25284 6859 1 15 . 1 1 23 23 GLY CA C 23 45.969 45.969 44.703 1.266 25284 6860 1 15 . 1 1 23 23 GLY H H 23 8.503 8.503 8.521 -0.018 25284 6861 1 15 . 1 1 24 24 THR N N 24 116.205 116.205 116.289 -0.084 25284 6862 1 15 . 1 1 24 24 THR HA H 24 4.333 4.333 4.141 0.192 25284 6863 1 15 . 1 1 24 24 THR C C 24 174.247 174.247 174.340 -0.093 25284 6864 1 15 . 1 1 24 24 THR CA C 24 63.240 63.240 63.826 -0.586 25284 6865 1 15 . 1 1 24 24 THR CB C 24 70.056 70.056 69.537 0.519 25284 6866 1 15 . 1 1 24 24 THR H H 24 8.152 8.152 7.534 0.618 25284 6867 1 15 . 1 1 25 25 ASP N N 25 124.096 124.096 126.370 -2.274 25284 6868 1 15 . 1 1 25 25 ASP HA H 25 4.718 4.718 4.627 0.091 25284 6869 1 15 . 1 1 25 25 ASP C C 25 176.223 176.223 176.019 0.204 25284 6870 1 15 . 1 1 25 25 ASP CA C 25 54.536 54.536 53.878 0.658 25284 6871 1 15 . 1 1 25 25 ASP CB C 25 41.163 41.163 41.135 0.028 25284 6872 1 15 . 1 1 25 25 ASP H H 25 8.620 8.620 8.531 0.089 25284 6873 1 15 . 1 1 26 26 LEU N N 26 123.934 123.934 126.225 -2.291 25284 6874 1 15 . 1 1 26 26 LEU HA H 26 4.365 4.365 4.420 -0.055 25284 6875 1 15 . 1 1 26 26 LEU C C 26 176.356 176.356 176.002 0.354 25284 6876 1 15 . 1 1 26 26 LEU CA C 26 54.374 54.374 54.454 -0.080 25284 6877 1 15 . 1 1 26 26 LEU CB C 26 41.235 41.235 41.328 -0.093 25284 6878 1 15 . 1 1 26 26 LEU H H 26 8.482 8.482 8.309 0.173 25284 6879 1 15 . 1 1 27 27 SER N N 27 115.330 115.330 115.658 -0.328 25284 6880 1 15 . 1 1 27 27 SER HA H 27 4.300 4.300 4.557 -0.257 25284 6881 1 15 . 1 1 27 27 SER C C 27 175.077 175.077 175.090 -0.013 25284 6882 1 15 . 1 1 27 27 SER CA C 27 59.917 59.917 58.807 1.110 25284 6883 1 15 . 1 1 27 27 SER CB C 27 64.229 64.229 63.948 0.281 25284 6884 1 15 . 1 1 27 27 SER H H 27 8.214 8.214 7.429 0.785 25284 6885 1 15 . 1 1 28 28 GLY N N 28 111.630 111.630 115.522 -3.892 25284 6886 1 15 . 1 1 28 28 GLY C C 28 174.303 174.303 173.413 0.890 25284 6887 1 15 . 1 1 28 28 GLY CA C 28 45.500 45.500 45.050 0.450 25284 6888 1 15 . 1 1 28 28 GLY H H 28 8.592 8.592 8.711 -0.119 25284 6889 1 15 . 1 1 29 29 ASP N N 29 123.552 123.552 121.914 1.638 25284 6890 1 15 . 1 1 29 29 ASP HA H 29 4.851 4.851 4.779 0.072 25284 6891 1 15 . 1 1 29 29 ASP C C 29 176.494 176.494 175.700 0.794 25284 6892 1 15 . 1 1 29 29 ASP CA C 29 54.312 54.312 53.613 0.699 25284 6893 1 15 . 1 1 29 29 ASP CB C 29 39.771 39.771 41.440 -1.669 25284 6894 1 15 . 1 1 29 29 ASP H H 29 8.690 8.690 8.319 0.371 25284 6895 1 15 . 1 1 30 30 PHE N N 30 122.578 122.578 123.170 -0.592 25284 6896 1 15 . 1 1 30 30 PHE HA H 30 4.764 4.764 4.564 0.200 25284 6897 1 15 . 1 1 30 30 PHE C C 30 175.529 175.529 175.186 0.343 25284 6898 1 15 . 1 1 30 30 PHE CA C 30 57.493 57.493 57.366 0.127 25284 6899 1 15 . 1 1 30 30 PHE CB C 30 40.639 40.639 39.039 1.600 25284 6900 1 15 . 1 1 30 30 PHE H H 30 8.076 8.076 8.249 -0.173 25284 6901 1 15 . 1 1 31 31 LEU N N 31 119.188 119.188 122.909 -3.721 25284 6902 1 15 . 1 1 31 31 LEU HA H 31 3.302 3.302 3.681 -0.379 25284 6903 1 15 . 1 1 31 31 LEU C C 31 176.503 176.503 176.406 0.097 25284 6904 1 15 . 1 1 31 31 LEU CA C 31 57.940 57.940 56.527 1.413 25284 6905 1 15 . 1 1 31 31 LEU CB C 31 42.218 42.218 42.048 0.170 25284 6906 1 15 . 1 1 31 31 LEU H H 31 7.535 7.535 7.219 0.316 25284 6907 1 15 . 1 1 32 32 ASP N N 32 112.101 112.101 116.902 -4.801 25284 6908 1 15 . 1 1 32 32 ASP HA H 32 5.047 5.047 4.586 0.461 25284 6909 1 15 . 1 1 32 32 ASP C C 32 176.064 176.064 175.541 0.523 25284 6910 1 15 . 1 1 32 32 ASP CA C 32 53.755 53.755 53.947 -0.192 25284 6911 1 15 . 1 1 32 32 ASP CB C 32 41.824 41.824 41.544 0.280 25284 6912 1 15 . 1 1 32 32 ASP H H 32 8.087 8.087 7.901 0.186 25284 6913 1 15 . 1 1 33 33 LEU N N 33 122.380 122.380 120.699 1.681 25284 6914 1 15 . 1 1 33 33 LEU HA H 33 4.309 4.309 4.542 -0.233 25284 6915 1 15 . 1 1 33 33 LEU C C 33 174.879 174.879 175.300 -0.421 25284 6916 1 15 . 1 1 33 33 LEU CA C 33 54.566 54.566 54.102 0.464 25284 6917 1 15 . 1 1 33 33 LEU CB C 33 42.528 42.528 44.126 -1.598 25284 6918 1 15 . 1 1 33 33 LEU H H 33 7.222 7.222 7.153 0.069 25284 6919 1 15 . 1 1 34 34 ARG N N 34 116.439 116.439 118.949 -2.510 25284 6920 1 15 . 1 1 34 34 ARG HA H 34 4.725 4.725 4.585 0.140 25284 6921 1 15 . 1 1 34 34 ARG C C 34 179.778 179.778 178.063 1.715 25284 6922 1 15 . 1 1 34 34 ARG CA C 34 55.536 55.536 55.512 0.024 25284 6923 1 15 . 1 1 34 34 ARG CB C 34 30.173 30.173 31.126 -0.953 25284 6924 1 15 . 1 1 34 34 ARG H H 34 8.487 8.487 8.181 0.306 25284 6925 1 15 . 1 1 35 35 PHE N N 35 123.548 123.548 121.895 1.653 25284 6926 1 15 . 1 1 35 35 PHE HA H 35 4.385 4.385 4.181 0.204 25284 6927 1 15 . 1 1 35 35 PHE C C 35 178.776 178.776 177.932 0.844 25284 6928 1 15 . 1 1 35 35 PHE CA C 35 63.121 63.121 62.928 0.193 25284 6929 1 15 . 1 1 35 35 PHE CB C 35 37.967 37.967 38.940 -0.973 25284 6930 1 15 . 1 1 35 35 PHE H H 35 8.455 8.455 9.133 -0.678 25284 6931 1 15 . 1 1 36 36 GLU N N 36 117.380 117.380 117.113 0.267 25284 6932 1 15 . 1 1 36 36 GLU HA H 36 4.358 4.358 4.114 0.244 25284 6933 1 15 . 1 1 36 36 GLU C C 36 178.612 178.612 177.632 0.980 25284 6934 1 15 . 1 1 36 36 GLU CA C 36 59.145 59.145 58.667 0.478 25284 6935 1 15 . 1 1 36 36 GLU CB C 36 29.301 29.301 29.283 0.018 25284 6936 1 15 . 1 1 36 36 GLU H H 36 9.560 9.560 8.806 0.754 25284 6937 1 15 . 1 1 37 37 ASP N N 37 118.596 118.596 118.451 0.145 25284 6938 1 15 . 1 1 37 37 ASP HA H 37 4.810 4.810 4.560 0.250 25284 6939 1 15 . 1 1 37 37 ASP C C 37 177.993 177.993 177.664 0.329 25284 6940 1 15 . 1 1 37 37 ASP CA C 37 56.474 56.474 56.065 0.409 25284 6941 1 15 . 1 1 37 37 ASP CB C 37 41.411 41.411 41.383 0.028 25284 6942 1 15 . 1 1 37 37 ASP H H 37 7.546 7.546 7.513 0.033 25284 6943 1 15 . 1 1 38 38 ILE N N 38 113.080 113.080 112.278 0.802 25284 6944 1 15 . 1 1 38 38 ILE HA H 38 4.663 4.663 4.416 0.247 25284 6945 1 15 . 1 1 38 38 ILE C C 38 176.140 176.140 176.467 -0.327 25284 6946 1 15 . 1 1 38 38 ILE CA C 38 62.038 62.038 60.836 1.202 25284 6947 1 15 . 1 1 38 38 ILE CB C 38 38.755 38.755 37.282 1.473 25284 6948 1 15 . 1 1 38 38 ILE H H 38 7.725 7.725 7.573 0.152 25284 6949 1 15 . 1 1 39 39 GLY N N 39 107.376 107.376 107.985 -0.609 25284 6950 1 15 . 1 1 39 39 GLY C C 39 174.497 174.497 174.414 0.083 25284 6951 1 15 . 1 1 39 39 GLY CA C 39 46.580 46.580 45.710 0.870 25284 6952 1 15 . 1 1 39 39 GLY H H 39 7.736 7.736 7.623 0.113 25284 6953 1 15 . 1 1 40 40 TYR N N 40 121.883 121.883 120.934 0.949 25284 6954 1 15 . 1 1 40 40 TYR HA H 40 4.583 4.583 4.567 0.016 25284 6955 1 15 . 1 1 40 40 TYR C C 40 174.479 174.479 174.740 -0.261 25284 6956 1 15 . 1 1 40 40 TYR CA C 40 58.153 58.153 58.791 -0.638 25284 6957 1 15 . 1 1 40 40 TYR CB C 40 40.535 40.535 38.616 1.919 25284 6958 1 15 . 1 1 40 40 TYR H H 40 8.059 8.059 8.485 -0.426 25284 6959 1 15 . 1 1 41 41 ASP N N 41 124.021 124.021 123.336 0.685 25284 6960 1 15 . 1 1 41 41 ASP HA H 41 4.739 4.739 4.762 -0.023 25284 6961 1 15 . 1 1 41 41 ASP C C 41 175.831 175.831 177.193 -1.362 25284 6962 1 15 . 1 1 41 41 ASP CA C 41 52.669 52.669 52.590 0.079 25284 6963 1 15 . 1 1 41 41 ASP CB C 41 42.015 42.015 43.749 -1.734 25284 6964 1 15 . 1 1 41 41 ASP H H 41 7.992 7.992 8.083 -0.091 25284 6965 1 15 . 1 1 42 42 SER N N 42 114.198 114.198 116.271 -2.073 25284 6966 1 15 . 1 1 42 42 SER HA H 42 4.272 4.272 4.254 0.018 25284 6967 1 15 . 1 1 42 42 SER C C 42 176.102 176.102 176.722 -0.620 25284 6968 1 15 . 1 1 42 42 SER CA C 42 60.657 60.657 61.174 -0.517 25284 6969 1 15 . 1 1 42 42 SER CB C 42 66.110 66.110 62.865 3.245 25284 6970 1 15 . 1 1 43 43 LEU N N 43 124.254 124.254 122.195 2.059 25284 6971 1 15 . 1 1 43 43 LEU HA H 43 4.269 4.269 4.263 0.006 25284 6972 1 15 . 1 1 43 43 LEU C C 43 179.140 179.140 178.848 0.292 25284 6973 1 15 . 1 1 43 43 LEU CA C 43 58.567 58.567 57.310 1.257 25284 6974 1 15 . 1 1 43 43 LEU CB C 43 41.178 41.178 41.504 -0.326 25284 6975 1 15 . 1 1 43 43 LEU H H 43 7.792 7.792 7.762 0.030 25284 6976 1 15 . 1 1 44 44 ALA N N 44 123.473 123.473 121.135 2.338 25284 6977 1 15 . 1 1 44 44 ALA HA H 44 4.318 4.318 4.158 0.160 25284 6978 1 15 . 1 1 44 44 ALA C C 44 181.903 181.903 179.446 2.457 25284 6979 1 15 . 1 1 44 44 ALA CA C 44 55.068 55.068 54.787 0.281 25284 6980 1 15 . 1 1 44 44 ALA CB C 44 18.556 18.556 18.314 0.242 25284 6981 1 15 . 1 1 44 44 ALA H H 44 8.140 8.140 7.993 0.147 25284 6982 1 15 . 1 1 45 45 LEU N N 45 121.524 121.524 121.045 0.479 25284 6983 1 15 . 1 1 45 45 LEU HA H 45 3.898 3.898 4.014 -0.116 25284 6984 1 15 . 1 1 45 45 LEU C C 45 179.040 179.040 178.527 0.513 25284 6985 1 15 . 1 1 45 45 LEU CA C 45 58.475 58.475 57.431 1.044 25284 6986 1 15 . 1 1 45 45 LEU CB C 45 41.780 41.780 40.892 0.887 25284 6987 1 15 . 1 1 45 45 LEU H H 45 8.442 8.442 8.194 0.248 25284 6988 1 15 . 1 1 46 46 MET N N 46 119.769 119.769 117.737 2.032 25284 6989 1 15 . 1 1 46 46 MET HA H 46 4.265 4.265 3.935 0.330 25284 6990 1 15 . 1 1 46 46 MET C C 46 180.609 180.609 178.672 1.937 25284 6991 1 15 . 1 1 46 46 MET CA C 46 58.853 58.853 59.837 -0.984 25284 6992 1 15 . 1 1 46 46 MET CB C 46 32.119 32.119 32.014 0.105 25284 6993 1 15 . 1 1 46 46 MET H H 46 8.234 8.234 7.773 0.461 25284 6994 1 15 . 1 1 47 47 GLU N N 47 121.097 121.097 117.377 3.720 25284 6995 1 15 . 1 1 47 47 GLU HA H 47 4.228 4.228 4.147 0.081 25284 6996 1 15 . 1 1 47 47 GLU C C 47 179.333 179.333 178.087 1.246 25284 6997 1 15 . 1 1 47 47 GLU CA C 47 59.644 59.644 59.151 0.493 25284 6998 1 15 . 1 1 47 47 GLU CB C 47 28.977 28.977 29.216 -0.239 25284 6999 1 15 . 1 1 47 47 GLU H H 47 8.517 8.517 7.906 0.611 25284 7000 1 15 . 1 1 48 48 THR N N 48 118.834 118.834 115.425 3.409 25284 7001 1 15 . 1 1 48 48 THR HA H 48 3.961 3.961 4.284 -0.323 25284 7002 1 15 . 1 1 48 48 THR C C 48 176.348 176.348 175.912 0.436 25284 7003 1 15 . 1 1 48 48 THR CA C 48 67.842 67.842 65.743 2.099 25284 7004 1 15 . 1 1 48 48 THR CB C 48 68.056 68.056 69.299 -1.242 25284 7005 1 15 . 1 1 48 48 THR H H 48 8.325 8.325 7.668 0.657 25284 7006 1 15 . 1 1 49 49 ALA N N 49 123.924 123.924 123.928 -0.004 25284 7007 1 15 . 1 1 49 49 ALA HA H 49 3.926 3.926 4.073 -0.147 25284 7008 1 15 . 1 1 49 49 ALA C C 49 178.608 178.608 179.271 -0.663 25284 7009 1 15 . 1 1 49 49 ALA CA C 49 56.247 56.247 55.236 1.011 25284 7010 1 15 . 1 1 49 49 ALA CB C 49 17.569 17.569 18.158 -0.589 25284 7011 1 15 . 1 1 49 49 ALA H H 49 8.747 8.747 8.571 0.176 25284 7012 1 15 . 1 1 50 50 ALA N N 50 119.691 119.691 120.597 -0.906 25284 7013 1 15 . 1 1 50 50 ALA HA H 50 4.269 4.269 4.087 0.182 25284 7014 1 15 . 1 1 50 50 ALA C C 50 181.310 181.310 179.154 2.156 25284 7015 1 15 . 1 1 50 50 ALA CA C 50 55.422 55.422 54.834 0.588 25284 7016 1 15 . 1 1 50 50 ALA CB C 50 18.171 18.171 18.190 -0.019 25284 7017 1 15 . 1 1 50 50 ALA H H 50 8.245 8.245 8.233 0.012 25284 7018 1 15 . 1 1 51 51 ARG N N 51 119.913 119.913 119.645 0.268 25284 7019 1 15 . 1 1 51 51 ARG HA H 51 4.247 4.247 4.073 0.174 25284 7020 1 15 . 1 1 51 51 ARG C C 51 179.808 179.808 178.632 1.176 25284 7021 1 15 . 1 1 51 51 ARG CA C 51 59.673 59.673 59.118 0.555 25284 7022 1 15 . 1 1 51 51 ARG CB C 51 30.539 30.539 29.879 0.660 25284 7023 1 15 . 1 1 51 51 ARG H H 51 8.129 8.129 7.869 0.260 25284 7024 1 15 . 1 1 52 52 LEU N N 52 120.624 120.624 119.496 1.128 25284 7025 1 15 . 1 1 52 52 LEU HA H 52 4.319 4.319 4.112 0.207 25284 7026 1 15 . 1 1 52 52 LEU C C 52 179.192 179.192 179.031 0.161 25284 7027 1 15 . 1 1 52 52 LEU CA C 52 58.253 58.253 58.066 0.187 25284 7028 1 15 . 1 1 52 52 LEU CB C 52 42.812 42.812 41.581 1.231 25284 7029 1 15 . 1 1 52 52 LEU H H 52 8.423 8.423 7.880 0.543 25284 7030 1 15 . 1 1 53 53 GLU N N 53 119.779 119.779 120.513 -0.734 25284 7031 1 15 . 1 1 53 53 GLU HA H 53 4.108 4.108 3.977 0.131 25284 7032 1 15 . 1 1 53 53 GLU C C 53 179.388 179.388 179.578 -0.190 25284 7033 1 15 . 1 1 53 53 GLU CA C 53 60.211 60.211 59.904 0.307 25284 7034 1 15 . 1 1 53 53 GLU CB C 53 29.143 29.143 29.515 -0.372 25284 7035 1 15 . 1 1 53 53 GLU H H 53 8.974 8.974 8.830 0.144 25284 7036 1 15 . 1 1 54 54 SER N N 54 113.169 113.169 113.716 -0.547 25284 7037 1 15 . 1 1 54 54 SER HA H 54 4.384 4.384 4.348 0.036 25284 7038 1 15 . 1 1 54 54 SER C C 54 176.953 176.953 175.730 1.223 25284 7039 1 15 . 1 1 54 54 SER CA C 54 61.279 61.279 60.863 0.416 25284 7040 1 15 . 1 1 54 54 SER CB C 54 63.402 63.402 63.025 0.377 25284 7041 1 15 . 1 1 54 54 SER H H 54 8.037 8.037 8.308 -0.271 25284 7042 1 15 . 1 1 55 55 ARG N N 55 120.851 120.851 120.738 0.113 25284 7043 1 15 . 1 1 55 55 ARG HA H 55 4.100 4.100 4.054 0.046 25284 7044 1 15 . 1 1 55 55 ARG C C 55 177.905 177.905 177.918 -0.013 25284 7045 1 15 . 1 1 55 55 ARG CA C 55 58.949 58.949 58.677 0.272 25284 7046 1 15 . 1 1 55 55 ARG CB C 55 30.896 30.896 30.679 0.217 25284 7047 1 15 . 1 1 55 55 ARG H H 55 8.099 8.099 7.975 0.124 25284 7048 1 15 . 1 1 56 56 TYR N N 56 113.669 113.669 115.400 -1.731 25284 7049 1 15 . 1 1 56 56 TYR HA H 56 4.687 4.687 4.578 0.109 25284 7050 1 15 . 1 1 56 56 TYR C C 56 176.069 176.069 175.935 0.134 25284 7051 1 15 . 1 1 56 56 TYR CA C 56 59.055 59.055 59.138 -0.083 25284 7052 1 15 . 1 1 56 56 TYR CB C 56 39.465 39.465 39.660 -0.195 25284 7053 1 15 . 1 1 56 56 TYR H H 56 8.158 8.158 8.242 -0.084 25284 7054 1 15 . 1 1 57 57 GLY N N 57 109.856 109.856 108.592 1.264 25284 7055 1 15 . 1 1 57 57 GLY C C 57 174.642 174.642 173.531 1.111 25284 7056 1 15 . 1 1 57 57 GLY CA C 57 47.476 47.476 44.800 2.676 25284 7057 1 15 . 1 1 57 57 GLY H H 57 7.982 7.982 8.118 -0.136 25284 7058 1 15 . 1 1 58 58 VAL N N 58 112.572 112.572 116.091 -3.519 25284 7059 1 15 . 1 1 58 58 VAL HA H 58 4.676 4.676 4.636 0.040 25284 7060 1 15 . 1 1 58 58 VAL C C 58 174.069 174.069 173.891 0.178 25284 7061 1 15 . 1 1 58 58 VAL CA C 58 59.313 59.313 59.471 -0.158 25284 7062 1 15 . 1 1 58 58 VAL CB C 58 34.744 34.744 34.636 0.108 25284 7063 1 15 . 1 1 58 58 VAL H H 58 7.497 7.497 7.795 -0.298 25284 7064 1 15 . 1 1 59 59 SER N N 59 117.179 117.179 114.941 2.238 25284 7065 1 15 . 1 1 59 59 SER HA H 59 4.846 4.846 5.052 -0.206 25284 7066 1 15 . 1 1 59 59 SER C C 59 173.699 173.699 173.192 0.507 25284 7067 1 15 . 1 1 59 59 SER CA C 59 57.401 57.401 57.779 -0.378 25284 7068 1 15 . 1 1 59 59 SER CB C 59 64.502 64.502 65.368 -0.866 25284 7069 1 15 . 1 1 59 59 SER H H 59 8.489 8.489 8.112 0.377 25284 7070 1 15 . 1 1 60 60 ILE N N 60 125.858 125.858 124.871 0.987 25284 7071 1 15 . 1 1 60 60 ILE HA H 60 4.651 4.651 4.449 0.202 25284 7072 1 15 . 1 1 60 60 ILE CA C 60 57.694 57.694 58.226 -0.532 25284 7073 1 15 . 1 1 60 60 ILE CB C 60 40.500 40.500 39.816 0.683 25284 7074 1 15 . 1 1 60 60 ILE H H 60 8.222 8.222 8.686 -0.464 25284 7075 1 15 . 1 1 61 61 PRO HA H 61 4.530 4.530 4.527 0.003 25284 7076 1 15 . 1 1 61 61 PRO C C 61 177.512 177.512 176.925 0.587 25284 7077 1 15 . 1 1 61 61 PRO CA C 61 63.561 63.561 62.673 0.888 25284 7078 1 15 . 1 1 61 61 PRO CB C 61 32.770 32.770 32.426 0.344 25284 7079 1 15 . 1 1 62 62 ASP N N 62 123.459 123.459 122.296 1.163 25284 7080 1 15 . 1 1 62 62 ASP HA H 62 4.449 4.449 4.208 0.241 25284 7081 1 15 . 1 1 62 62 ASP C C 62 177.284 177.284 177.439 -0.155 25284 7082 1 15 . 1 1 62 62 ASP CA C 62 57.112 57.112 57.324 -0.212 25284 7083 1 15 . 1 1 62 62 ASP CB C 62 40.740 40.740 40.295 0.445 25284 7084 1 15 . 1 1 62 62 ASP H H 62 8.831 8.831 8.678 0.153 25284 7085 1 15 . 1 1 63 63 ASP N N 63 116.794 116.794 119.395 -2.601 25284 7086 1 15 . 1 1 63 63 ASP HA H 63 4.529 4.529 4.455 0.074 25284 7087 1 15 . 1 1 63 63 ASP C C 63 177.294 177.294 178.760 -1.466 25284 7088 1 15 . 1 1 63 63 ASP CA C 63 54.956 54.956 56.383 -1.427 25284 7089 1 15 . 1 1 63 63 ASP CB C 63 39.687 39.687 40.449 -0.762 25284 7090 1 15 . 1 1 63 63 ASP H H 63 8.617 8.617 8.711 -0.094 25284 7091 1 15 . 1 1 64 64 VAL N N 64 119.209 119.209 119.314 -0.105 25284 7092 1 15 . 1 1 64 64 VAL HA H 64 3.812 3.812 3.782 0.030 25284 7093 1 15 . 1 1 64 64 VAL C C 64 177.556 177.556 176.104 1.452 25284 7094 1 15 . 1 1 64 64 VAL CA C 64 65.179 65.179 64.509 0.670 25284 7095 1 15 . 1 1 64 64 VAL CB C 64 32.413 32.413 31.468 0.945 25284 7096 1 15 . 1 1 64 64 VAL H H 64 7.407 7.407 7.559 -0.152 25284 7097 1 15 . 1 1 65 65 ALA N N 65 122.418 122.418 121.211 1.207 25284 7098 1 15 . 1 1 65 65 ALA HA H 65 3.987 3.987 4.138 -0.151 25284 7099 1 15 . 1 1 65 65 ALA C C 65 177.994 177.994 178.950 -0.956 25284 7100 1 15 . 1 1 65 65 ALA CA C 65 54.842 54.842 54.026 0.816 25284 7101 1 15 . 1 1 65 65 ALA CB C 65 18.522 18.522 18.827 -0.305 25284 7102 1 15 . 1 1 65 65 ALA H H 65 8.246 8.246 7.372 0.874 25284 7103 1 15 . 1 1 66 66 GLY N N 66 100.378 100.378 105.007 -4.629 25284 7104 1 15 . 1 1 66 66 GLY C C 66 174.387 174.387 175.412 -1.025 25284 7105 1 15 . 1 1 66 66 GLY CA C 66 46.015 46.015 45.217 0.798 25284 7106 1 15 . 1 1 66 66 GLY H H 66 8.021 8.021 7.649 0.372 25284 7107 1 15 . 1 1 67 67 ARG N N 67 116.838 116.838 119.060 -2.222 25284 7108 1 15 . 1 1 67 67 ARG HA H 67 4.623 4.623 4.439 0.184 25284 7109 1 15 . 1 1 67 67 ARG C C 67 176.509 176.509 176.375 0.134 25284 7110 1 15 . 1 1 67 67 ARG CA C 67 55.883 55.883 55.833 0.050 25284 7111 1 15 . 1 1 67 67 ARG CB C 67 31.911 31.911 30.786 1.125 25284 7112 1 15 . 1 1 67 67 ARG H H 67 7.483 7.483 7.538 -0.055 25284 7113 1 15 . 1 1 68 68 VAL N N 68 114.649 114.649 114.201 0.448 25284 7114 1 15 . 1 1 68 68 VAL HA H 68 4.468 4.468 4.107 0.361 25284 7115 1 15 . 1 1 68 68 VAL C C 68 175.192 175.192 174.818 0.374 25284 7116 1 15 . 1 1 68 68 VAL CA C 68 61.819 61.819 60.988 0.831 25284 7117 1 15 . 1 1 68 68 VAL CB C 68 33.624 33.624 33.478 0.146 25284 7118 1 15 . 1 1 68 68 VAL H H 68 7.284 7.284 7.205 0.079 25284 7119 1 15 . 1 1 69 69 ASP N N 69 120.972 120.972 120.028 0.944 25284 7120 1 15 . 1 1 69 69 ASP HA H 69 5.264 5.264 5.089 0.175 25284 7121 1 15 . 1 1 69 69 ASP C C 69 176.970 176.970 175.782 1.188 25284 7122 1 15 . 1 1 69 69 ASP CA C 69 55.811 55.811 54.910 0.901 25284 7123 1 15 . 1 1 69 69 ASP CB C 69 44.441 44.441 44.478 -0.037 25284 7124 1 15 . 1 1 69 69 ASP H H 69 9.167 9.167 9.644 -0.477 25284 7125 1 15 . 1 1 70 70 THR N N 70 108.311 108.311 110.864 -2.553 25284 7126 1 15 . 1 1 70 70 THR HA H 70 4.939 4.939 5.145 -0.206 25284 7127 1 15 . 1 1 70 70 THR CA C 70 57.823 57.823 58.139 -0.316 25284 7128 1 15 . 1 1 70 70 THR CB C 70 71.412 71.412 70.598 0.814 25284 7129 1 15 . 1 1 70 70 THR H H 70 7.477 7.477 8.152 -0.675 25284 7130 1 15 . 1 1 71 71 PRO HA H 71 4.235 4.235 3.929 0.306 25284 7131 1 15 . 1 1 71 71 PRO C C 71 177.422 177.422 177.651 -0.229 25284 7132 1 15 . 1 1 71 71 PRO CA C 71 66.002 66.002 65.333 0.669 25284 7133 1 15 . 1 1 71 71 PRO CB C 71 32.686 32.686 31.296 1.390 25284 7134 1 15 . 1 1 72 72 ARG N N 72 117.972 117.972 116.540 1.432 25284 7135 1 15 . 1 1 72 72 ARG HA H 72 3.609 3.609 3.907 -0.298 25284 7136 1 15 . 1 1 72 72 ARG C C 72 177.616 177.616 178.190 -0.574 25284 7137 1 15 . 1 1 72 72 ARG CA C 72 60.243 60.243 59.370 0.873 25284 7138 1 15 . 1 1 72 72 ARG CB C 72 30.524 30.524 29.156 1.368 25284 7139 1 15 . 1 1 72 72 ARG H H 72 9.016 9.016 7.955 1.061 25284 7140 1 15 . 1 1 73 73 GLU N N 73 116.790 116.790 120.844 -4.054 25284 7141 1 15 . 1 1 73 73 GLU HA H 73 4.242 4.242 4.111 0.131 25284 7142 1 15 . 1 1 73 73 GLU C C 73 180.200 180.200 178.889 1.311 25284 7143 1 15 . 1 1 73 73 GLU CA C 73 59.226 59.226 58.932 0.294 25284 7144 1 15 . 1 1 73 73 GLU CB C 73 30.069 30.069 29.544 0.525 25284 7145 1 15 . 1 1 73 73 GLU H H 73 7.838 7.838 7.864 -0.026 25284 7146 1 15 . 1 1 74 74 LEU N N 74 120.656 120.656 121.759 -1.103 25284 7147 1 15 . 1 1 74 74 LEU HA H 74 4.313 4.313 4.117 0.196 25284 7148 1 15 . 1 1 74 74 LEU C C 74 177.023 177.023 178.567 -1.544 25284 7149 1 15 . 1 1 74 74 LEU CA C 74 58.179 58.179 57.703 0.476 25284 7150 1 15 . 1 1 74 74 LEU CB C 74 42.292 42.292 41.647 0.645 25284 7151 1 15 . 1 1 74 74 LEU H H 74 7.703 7.703 7.538 0.165 25284 7152 1 15 . 1 1 75 75 LEU N N 75 121.434 121.434 119.998 1.436 25284 7153 1 15 . 1 1 75 75 LEU HA H 75 3.894 3.894 3.931 -0.037 25284 7154 1 15 . 1 1 75 75 LEU C C 75 178.169 178.169 178.247 -0.078 25284 7155 1 15 . 1 1 75 75 LEU CA C 75 58.562 58.562 58.416 0.146 25284 7156 1 15 . 1 1 75 75 LEU CB C 75 42.408 42.408 41.546 0.862 25284 7157 1 15 . 1 1 75 75 LEU H H 75 8.743 8.743 8.605 0.138 25284 7158 1 15 . 1 1 76 76 ASP N N 76 117.849 117.849 119.363 -1.514 25284 7159 1 15 . 1 1 76 76 ASP HA H 76 4.488 4.488 4.343 0.145 25284 7160 1 15 . 1 1 76 76 ASP C C 76 180.127 180.127 178.425 1.702 25284 7161 1 15 . 1 1 76 76 ASP CA C 76 57.487 57.487 57.369 0.118 25284 7162 1 15 . 1 1 76 76 ASP CB C 76 40.085 40.085 40.761 -0.677 25284 7163 1 15 . 1 1 76 76 ASP H H 76 8.711 8.711 7.849 0.862 25284 7164 1 15 . 1 1 77 77 LEU N N 77 123.252 123.252 120.475 2.777 25284 7165 1 15 . 1 1 77 77 LEU HA H 77 4.303 4.303 3.929 0.374 25284 7166 1 15 . 1 1 77 77 LEU C C 77 180.621 180.621 179.266 1.355 25284 7167 1 15 . 1 1 77 77 LEU CA C 77 58.439 58.439 58.030 0.409 25284 7168 1 15 . 1 1 77 77 LEU CB C 77 42.905 42.905 41.802 1.103 25284 7169 1 15 . 1 1 77 77 LEU H H 77 8.009 8.009 8.242 -0.233 25284 7170 1 15 . 1 1 78 78 ILE N N 78 120.216 120.216 119.276 0.940 25284 7171 1 15 . 1 1 78 78 ILE HA H 78 3.750 3.750 3.583 0.167 25284 7172 1 15 . 1 1 78 78 ILE C C 78 177.713 177.713 178.041 -0.328 25284 7173 1 15 . 1 1 78 78 ILE CA C 78 64.757 64.757 63.732 1.025 25284 7174 1 15 . 1 1 78 78 ILE CB C 78 37.402 37.402 36.517 0.884 25284 7175 1 15 . 1 1 78 78 ILE H H 78 8.294 8.294 7.967 0.327 25284 7176 1 15 . 1 1 79 79 ASN N N 79 118.191 118.191 118.942 -0.751 25284 7177 1 15 . 1 1 79 79 ASN HA H 79 4.912 4.912 4.246 0.666 25284 7178 1 15 . 1 1 79 79 ASN C C 79 179.524 179.524 177.938 1.586 25284 7179 1 15 . 1 1 79 79 ASN CA C 79 55.473 55.473 56.456 -0.984 25284 7180 1 15 . 1 1 79 79 ASN CB C 79 37.331 37.331 38.160 -0.829 25284 7181 1 15 . 1 1 79 79 ASN H H 79 8.887 8.887 8.761 0.126 25284 7182 1 15 . 1 1 80 80 GLY N N 80 110.387 110.387 107.350 3.037 25284 7183 1 15 . 1 1 80 80 GLY C C 80 175.783 175.783 175.344 0.439 25284 7184 1 15 . 1 1 80 80 GLY CA C 80 47.166 47.166 47.030 0.136 25284 7185 1 15 . 1 1 80 80 GLY H H 80 8.436 8.436 8.543 -0.107 25284 7186 1 15 . 1 1 81 81 ALA N N 81 124.420 124.420 124.958 -0.538 25284 7187 1 15 . 1 1 81 81 ALA HA H 81 4.460 4.460 4.469 -0.009 25284 7188 1 15 . 1 1 81 81 ALA C C 81 179.892 179.892 179.444 0.448 25284 7189 1 15 . 1 1 81 81 ALA CA C 81 54.389 54.389 54.045 0.344 25284 7190 1 15 . 1 1 81 81 ALA CB C 81 18.824 18.824 18.710 0.114 25284 7191 1 15 . 1 1 81 81 ALA H H 81 7.606 7.606 7.439 0.167 25284 7192 1 15 . 1 1 82 82 LEU N N 82 120.239 120.239 120.222 0.017 25284 7193 1 15 . 1 1 82 82 LEU HA H 82 4.214 4.214 4.055 0.159 25284 7194 1 15 . 1 1 82 82 LEU C C 82 178.884 178.884 177.974 0.910 25284 7195 1 15 . 1 1 82 82 LEU CA C 82 57.098 57.098 57.176 -0.078 25284 7196 1 15 . 1 1 82 82 LEU CB C 82 42.739 42.739 41.757 0.982 25284 7197 1 15 . 1 1 82 82 LEU H H 82 8.285 8.285 8.345 -0.060 25284 7198 1 15 . 1 1 83 83 ALA N N 83 121.614 121.614 120.336 1.278 25284 7199 1 15 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.105 0.194 25284 7200 1 15 . 1 1 83 83 ALA C C 83 178.788 178.788 178.801 -0.013 25284 7201 1 15 . 1 1 83 83 ALA CA C 83 54.049 54.049 54.418 -0.369 25284 7202 1 15 . 1 1 83 83 ALA CB C 83 18.944 18.944 18.310 0.634 25284 7203 1 15 . 1 1 83 83 ALA H H 83 7.973 7.973 8.481 -0.508 25284 7204 1 15 . 1 1 84 84 GLU N N 84 117.412 117.412 118.291 -0.879 25284 7205 1 15 . 1 1 84 84 GLU HA H 84 4.385 4.385 4.149 0.236 25284 7206 1 15 . 1 1 84 84 GLU C C 84 176.406 176.406 177.657 -1.251 25284 7207 1 15 . 1 1 84 84 GLU CA C 84 56.872 56.872 57.883 -1.010 25284 7208 1 15 . 1 1 84 84 GLU CB C 84 29.773 29.773 29.949 -0.176 25284 7209 1 15 . 1 1 84 84 GLU H H 84 7.753 7.753 7.765 -0.012 25284 7210 1 15 . 1 1 85 85 ALA N N 85 124.256 124.256 122.112 2.144 25284 7211 1 15 . 1 1 85 85 ALA HA H 85 4.471 4.471 4.349 0.122 25284 7212 1 15 . 1 1 85 85 ALA C C 85 176.625 176.625 177.545 -0.920 25284 7213 1 15 . 1 1 85 85 ALA CA C 85 52.679 52.679 52.467 0.212 25284 7214 1 15 . 1 1 85 85 ALA CB C 85 19.702 19.702 19.489 0.213 25284 7215 1 15 . 1 1 85 85 ALA H H 85 7.832 7.832 7.383 0.449 25284 7216 1 16 . 1 1 2 2 ALA HA H 2 4.279 4.279 4.624 -0.345 25284 7217 1 16 . 1 1 2 2 ALA C C 2 173.785 173.785 176.569 -2.784 25284 7218 1 16 . 1 1 2 2 ALA CA C 2 52.136 52.136 52.776 -0.640 25284 7219 1 16 . 1 1 2 2 ALA CB C 2 20.083 20.083 20.301 -0.218 25284 7220 1 16 . 1 1 3 3 THR N N 3 117.799 117.799 114.172 3.627 25284 7221 1 16 . 1 1 3 3 THR HA H 3 4.398 4.398 4.224 0.174 25284 7222 1 16 . 1 1 3 3 THR C C 3 172.979 172.979 173.504 -0.525 25284 7223 1 16 . 1 1 3 3 THR CA C 3 62.907 62.907 62.282 0.625 25284 7224 1 16 . 1 1 3 3 THR CB C 3 70.082 70.082 68.712 1.370 25284 7225 1 16 . 1 1 3 3 THR H H 3 8.703 8.703 7.949 0.754 25284 7226 1 16 . 1 1 4 4 LEU N N 4 124.656 124.656 122.323 2.333 25284 7227 1 16 . 1 1 4 4 LEU HA H 4 4.373 4.373 4.142 0.231 25284 7228 1 16 . 1 1 4 4 LEU C C 4 177.215 177.215 176.257 0.958 25284 7229 1 16 . 1 1 4 4 LEU CA C 4 54.852 54.852 54.895 -0.043 25284 7230 1 16 . 1 1 4 4 LEU CB C 4 42.864 42.864 42.872 -0.008 25284 7231 1 16 . 1 1 4 4 LEU H H 4 8.155 8.155 8.054 0.101 25284 7232 1 16 . 1 1 5 5 LEU N N 5 124.772 124.772 127.580 -2.808 25284 7233 1 16 . 1 1 5 5 LEU HA H 5 4.530 4.530 4.302 0.228 25284 7234 1 16 . 1 1 5 5 LEU C C 5 177.915 177.915 176.727 1.188 25284 7235 1 16 . 1 1 5 5 LEU CA C 5 55.564 55.564 55.241 0.323 25284 7236 1 16 . 1 1 5 5 LEU CB C 5 42.806 42.806 42.143 0.663 25284 7237 1 16 . 1 1 5 5 LEU H H 5 9.421 9.421 8.771 0.650 25284 7238 1 16 . 1 1 6 6 THR N N 6 115.077 115.077 117.707 -2.630 25284 7239 1 16 . 1 1 6 6 THR HA H 6 4.745 4.745 4.600 0.145 25284 7240 1 16 . 1 1 6 6 THR C C 6 175.958 175.958 175.332 0.626 25284 7241 1 16 . 1 1 6 6 THR CA C 6 60.159 60.159 60.715 -0.555 25284 7242 1 16 . 1 1 6 6 THR CB C 6 72.442 72.442 70.344 2.098 25284 7243 1 16 . 1 1 6 6 THR H H 6 9.006 9.006 8.255 0.751 25284 7244 1 16 . 1 1 7 7 THR N N 7 115.895 115.895 114.349 1.546 25284 7245 1 16 . 1 1 7 7 THR HA H 7 3.867 3.867 4.153 -0.286 25284 7246 1 16 . 1 1 7 7 THR C C 7 176.622 176.622 176.260 0.362 25284 7247 1 16 . 1 1 7 7 THR CA C 7 67.331 67.331 66.710 0.621 25284 7248 1 16 . 1 1 7 7 THR CB C 7 68.496 68.496 68.523 -0.027 25284 7249 1 16 . 1 1 7 7 THR H H 7 8.864 8.864 8.314 0.550 25284 7250 1 16 . 1 1 8 8 ASP N N 8 120.253 120.253 121.024 -0.771 25284 7251 1 16 . 1 1 8 8 ASP HA H 8 4.629 4.629 4.439 0.190 25284 7252 1 16 . 1 1 8 8 ASP C C 8 178.593 178.593 178.462 0.131 25284 7253 1 16 . 1 1 8 8 ASP CA C 8 57.740 57.740 58.664 -0.924 25284 7254 1 16 . 1 1 8 8 ASP CB C 8 41.273 41.273 40.337 0.936 25284 7255 1 16 . 1 1 8 8 ASP H H 8 8.289 8.289 8.677 -0.388 25284 7256 1 16 . 1 1 9 9 ASP N N 9 120.653 120.653 120.034 0.619 25284 7257 1 16 . 1 1 9 9 ASP HA H 9 4.560 4.560 4.452 0.107 25284 7258 1 16 . 1 1 9 9 ASP C C 9 179.465 179.465 178.184 1.281 25284 7259 1 16 . 1 1 9 9 ASP CA C 9 57.608 57.608 57.150 0.458 25284 7260 1 16 . 1 1 9 9 ASP CB C 9 41.559 41.559 41.069 0.490 25284 7261 1 16 . 1 1 9 9 ASP H H 9 7.916 7.916 7.654 0.262 25284 7262 1 16 . 1 1 10 10 LEU N N 10 121.585 121.585 121.124 0.461 25284 7263 1 16 . 1 1 10 10 LEU HA H 10 4.216 4.216 4.140 0.076 25284 7264 1 16 . 1 1 10 10 LEU C C 10 177.517 177.517 178.200 -0.683 25284 7265 1 16 . 1 1 10 10 LEU CA C 10 58.031 58.031 57.738 0.293 25284 7266 1 16 . 1 1 10 10 LEU CB C 10 42.146 42.146 42.074 0.072 25284 7267 1 16 . 1 1 10 10 LEU H H 10 8.086 8.086 7.541 0.545 25284 7268 1 16 . 1 1 11 11 ARG N N 11 120.099 120.099 119.452 0.647 25284 7269 1 16 . 1 1 11 11 ARG HA H 11 3.514 3.514 3.424 0.090 25284 7270 1 16 . 1 1 11 11 ARG C C 11 177.769 177.769 178.358 -0.589 25284 7271 1 16 . 1 1 11 11 ARG CA C 11 60.715 60.715 59.779 0.936 25284 7272 1 16 . 1 1 11 11 ARG CB C 11 30.775 30.775 29.845 0.930 25284 7273 1 16 . 1 1 11 11 ARG H H 11 8.852 8.852 8.378 0.474 25284 7274 1 16 . 1 1 12 12 ARG N N 12 115.840 115.840 118.477 -2.637 25284 7275 1 16 . 1 1 12 12 ARG HA H 12 4.032 4.032 3.963 0.069 25284 7276 1 16 . 1 1 12 12 ARG C C 12 178.492 178.492 178.531 -0.039 25284 7277 1 16 . 1 1 12 12 ARG CA C 12 59.592 59.592 59.275 0.317 25284 7278 1 16 . 1 1 12 12 ARG CB C 12 30.583 30.583 29.989 0.594 25284 7279 1 16 . 1 1 12 12 ARG H H 12 7.996 7.996 7.880 0.116 25284 7280 1 16 . 1 1 13 13 ALA N N 13 120.184 120.184 122.754 -2.570 25284 7281 1 16 . 1 1 13 13 ALA HA H 13 4.401 4.401 4.155 0.246 25284 7282 1 16 . 1 1 13 13 ALA C C 13 180.114 180.114 179.846 0.268 25284 7283 1 16 . 1 1 13 13 ALA CA C 13 54.938 54.938 55.104 -0.166 25284 7284 1 16 . 1 1 13 13 ALA CB C 13 18.756 18.756 18.609 0.147 25284 7285 1 16 . 1 1 13 13 ALA H H 13 7.705 7.705 7.887 -0.182 25284 7286 1 16 . 1 1 14 14 LEU N N 14 119.427 119.427 119.381 0.046 25284 7287 1 16 . 1 1 14 14 LEU HA H 14 4.424 4.424 4.426 -0.002 25284 7288 1 16 . 1 1 14 14 LEU C C 14 179.766 179.766 179.583 0.183 25284 7289 1 16 . 1 1 14 14 LEU CA C 14 57.568 57.568 57.662 -0.094 25284 7290 1 16 . 1 1 14 14 LEU CB C 14 42.039 42.039 41.442 0.597 25284 7291 1 16 . 1 1 14 14 LEU H H 14 8.424 8.424 8.385 0.039 25284 7292 1 16 . 1 1 15 15 VAL N N 15 121.004 121.004 121.699 -0.695 25284 7293 1 16 . 1 1 15 15 VAL HA H 15 3.920 3.920 3.727 0.193 25284 7294 1 16 . 1 1 15 15 VAL C C 15 179.014 179.014 178.443 0.571 25284 7295 1 16 . 1 1 15 15 VAL CA C 15 66.259 66.259 66.166 0.093 25284 7296 1 16 . 1 1 15 15 VAL CB C 15 32.137 32.137 30.852 1.285 25284 7297 1 16 . 1 1 15 15 VAL H H 15 8.519 8.519 7.877 0.642 25284 7298 1 16 . 1 1 16 16 GLU N N 16 119.984 119.984 119.491 0.493 25284 7299 1 16 . 1 1 16 16 GLU HA H 16 4.206 4.206 4.037 0.169 25284 7300 1 16 . 1 1 16 16 GLU C C 16 178.547 178.547 177.909 0.638 25284 7301 1 16 . 1 1 16 16 GLU CA C 16 59.042 59.042 59.095 -0.053 25284 7302 1 16 . 1 1 16 16 GLU CB C 16 29.692 29.692 29.562 0.130 25284 7303 1 16 . 1 1 16 16 GLU H H 16 8.218 8.218 8.160 0.058 25284 7304 1 16 . 1 1 17 17 SER N N 17 113.928 113.928 112.944 0.984 25284 7305 1 16 . 1 1 17 17 SER HA H 17 4.577 4.577 4.449 0.128 25284 7306 1 16 . 1 1 17 17 SER C C 17 174.273 174.273 172.916 1.357 25284 7307 1 16 . 1 1 17 17 SER CA C 17 59.940 59.940 59.665 0.275 25284 7308 1 16 . 1 1 17 17 SER CB C 17 64.378 64.378 63.927 0.451 25284 7309 1 16 . 1 1 17 17 SER H H 17 7.798 7.798 7.982 -0.184 25284 7310 1 16 . 1 1 18 18 ALA N N 18 123.357 123.357 122.156 1.201 25284 7311 1 16 . 1 1 18 18 ALA HA H 18 4.347 4.347 4.471 -0.124 25284 7312 1 16 . 1 1 18 18 ALA C C 18 178.292 178.292 176.021 2.271 25284 7313 1 16 . 1 1 18 18 ALA CA C 18 52.991 52.991 51.355 1.636 25284 7314 1 16 . 1 1 18 18 ALA CB C 18 19.965 19.965 20.741 -0.776 25284 7315 1 16 . 1 1 18 18 ALA H H 18 7.813 7.813 7.481 0.332 25284 7316 1 16 . 1 1 19 19 GLY N N 19 107.711 107.711 109.204 -1.493 25284 7317 1 16 . 1 1 19 19 GLY C C 19 174.440 174.440 173.565 0.875 25284 7318 1 16 . 1 1 19 19 GLY CA C 19 45.650 45.650 45.514 0.136 25284 7319 1 16 . 1 1 19 19 GLY H H 19 8.256 8.256 8.523 -0.267 25284 7320 1 16 . 1 1 20 20 GLU N N 20 120.763 120.763 117.744 3.019 25284 7321 1 16 . 1 1 20 20 GLU HA H 20 4.477 4.477 4.304 0.173 25284 7322 1 16 . 1 1 20 20 GLU C C 20 176.905 176.905 175.307 1.598 25284 7323 1 16 . 1 1 20 20 GLU CA C 20 56.896 56.896 56.464 0.432 25284 7324 1 16 . 1 1 20 20 GLU CB C 20 30.160 30.160 29.803 0.357 25284 7325 1 16 . 1 1 20 20 GLU H H 20 8.508 8.508 8.104 0.404 25284 7326 1 16 . 1 1 21 21 THR N N 21 114.316 114.316 114.681 -0.365 25284 7327 1 16 . 1 1 21 21 THR HA H 21 4.529 4.529 4.566 -0.037 25284 7328 1 16 . 1 1 21 21 THR C C 21 174.564 174.564 172.904 1.660 25284 7329 1 16 . 1 1 21 21 THR CA C 21 61.942 61.942 62.017 -0.075 25284 7330 1 16 . 1 1 21 21 THR CB C 21 70.323 70.323 69.634 0.689 25284 7331 1 16 . 1 1 21 21 THR H H 21 8.258 8.258 7.948 0.310 25284 7332 1 16 . 1 1 22 22 ASP N N 22 122.479 122.479 123.564 -1.085 25284 7333 1 16 . 1 1 22 22 ASP HA H 22 4.728 4.728 4.578 0.150 25284 7334 1 16 . 1 1 22 22 ASP C C 22 176.913 176.913 177.043 -0.130 25284 7335 1 16 . 1 1 22 22 ASP CA C 22 54.806 54.806 56.256 -1.450 25284 7336 1 16 . 1 1 22 22 ASP CB C 22 41.144 41.144 40.761 0.383 25284 7337 1 16 . 1 1 22 22 ASP H H 22 8.506 8.506 8.276 0.230 25284 7338 1 16 . 1 1 23 23 GLY N N 23 109.608 109.608 111.079 -1.471 25284 7339 1 16 . 1 1 23 23 GLY C C 23 174.806 174.806 173.986 0.820 25284 7340 1 16 . 1 1 23 23 GLY CA C 23 45.969 45.969 44.529 1.440 25284 7341 1 16 . 1 1 23 23 GLY H H 23 8.503 8.503 8.229 0.274 25284 7342 1 16 . 1 1 24 24 THR N N 24 116.205 116.205 115.966 0.239 25284 7343 1 16 . 1 1 24 24 THR HA H 24 4.333 4.333 4.277 0.056 25284 7344 1 16 . 1 1 24 24 THR C C 24 174.247 174.247 174.559 -0.312 25284 7345 1 16 . 1 1 24 24 THR CA C 24 63.240 63.240 62.113 1.127 25284 7346 1 16 . 1 1 24 24 THR CB C 24 70.056 70.056 69.363 0.693 25284 7347 1 16 . 1 1 24 24 THR H H 24 8.152 8.152 7.943 0.209 25284 7348 1 16 . 1 1 25 25 ASP N N 25 124.096 124.096 128.388 -4.292 25284 7349 1 16 . 1 1 25 25 ASP HA H 25 4.718 4.718 4.494 0.224 25284 7350 1 16 . 1 1 25 25 ASP C C 25 176.223 176.223 175.070 1.153 25284 7351 1 16 . 1 1 25 25 ASP CA C 25 54.536 54.536 55.080 -0.544 25284 7352 1 16 . 1 1 25 25 ASP CB C 25 41.163 41.163 39.919 1.244 25284 7353 1 16 . 1 1 25 25 ASP H H 25 8.620 8.620 8.811 -0.191 25284 7354 1 16 . 1 1 26 26 LEU N N 26 123.934 123.934 122.481 1.453 25284 7355 1 16 . 1 1 26 26 LEU HA H 26 4.365 4.365 4.507 -0.142 25284 7356 1 16 . 1 1 26 26 LEU C C 26 176.356 176.356 174.759 1.597 25284 7357 1 16 . 1 1 26 26 LEU CA C 26 54.374 54.374 54.112 0.262 25284 7358 1 16 . 1 1 26 26 LEU CB C 26 41.235 41.235 43.075 -1.839 25284 7359 1 16 . 1 1 26 26 LEU H H 26 8.482 8.482 7.838 0.644 25284 7360 1 16 . 1 1 27 27 SER N N 27 115.330 115.330 113.386 1.944 25284 7361 1 16 . 1 1 27 27 SER HA H 27 4.300 4.300 4.673 -0.373 25284 7362 1 16 . 1 1 27 27 SER C C 27 175.077 175.077 175.501 -0.424 25284 7363 1 16 . 1 1 27 27 SER CA C 27 59.917 59.917 57.939 1.978 25284 7364 1 16 . 1 1 27 27 SER CB C 27 64.229 64.229 65.849 -1.620 25284 7365 1 16 . 1 1 27 27 SER H H 27 8.214 8.214 7.437 0.777 25284 7366 1 16 . 1 1 28 28 GLY N N 28 111.630 111.630 111.644 -0.014 25284 7367 1 16 . 1 1 28 28 GLY C C 28 174.303 174.303 173.580 0.723 25284 7368 1 16 . 1 1 28 28 GLY CA C 28 45.500 45.500 45.306 0.194 25284 7369 1 16 . 1 1 28 28 GLY H H 28 8.592 8.592 8.630 -0.038 25284 7370 1 16 . 1 1 29 29 ASP N N 29 123.552 123.552 123.186 0.366 25284 7371 1 16 . 1 1 29 29 ASP HA H 29 4.851 4.851 4.784 0.067 25284 7372 1 16 . 1 1 29 29 ASP C C 29 176.494 176.494 175.480 1.014 25284 7373 1 16 . 1 1 29 29 ASP CA C 29 54.312 54.312 53.335 0.977 25284 7374 1 16 . 1 1 29 29 ASP CB C 29 39.771 39.771 40.889 -1.118 25284 7375 1 16 . 1 1 29 29 ASP H H 29 8.690 8.690 8.354 0.336 25284 7376 1 16 . 1 1 30 30 PHE N N 30 122.578 122.578 121.784 0.794 25284 7377 1 16 . 1 1 30 30 PHE HA H 30 4.764 4.764 4.644 0.120 25284 7378 1 16 . 1 1 30 30 PHE C C 30 175.529 175.529 174.913 0.616 25284 7379 1 16 . 1 1 30 30 PHE CA C 30 57.493 57.493 57.102 0.391 25284 7380 1 16 . 1 1 30 30 PHE CB C 30 40.639 40.639 39.421 1.218 25284 7381 1 16 . 1 1 30 30 PHE H H 30 8.076 8.076 8.228 -0.152 25284 7382 1 16 . 1 1 31 31 LEU N N 31 119.188 119.188 121.758 -2.570 25284 7383 1 16 . 1 1 31 31 LEU HA H 31 3.302 3.302 3.925 -0.623 25284 7384 1 16 . 1 1 31 31 LEU C C 31 176.503 176.503 177.138 -0.635 25284 7385 1 16 . 1 1 31 31 LEU CA C 31 57.940 57.940 56.313 1.627 25284 7386 1 16 . 1 1 31 31 LEU CB C 31 42.218 42.218 40.756 1.462 25284 7387 1 16 . 1 1 31 31 LEU H H 31 7.535 7.535 7.752 -0.217 25284 7388 1 16 . 1 1 32 32 ASP N N 32 112.101 112.101 117.640 -5.539 25284 7389 1 16 . 1 1 32 32 ASP HA H 32 5.047 5.047 4.560 0.487 25284 7390 1 16 . 1 1 32 32 ASP C C 32 176.064 176.064 175.153 0.911 25284 7391 1 16 . 1 1 32 32 ASP CA C 32 53.755 53.755 54.157 -0.402 25284 7392 1 16 . 1 1 32 32 ASP CB C 32 41.824 41.824 41.301 0.523 25284 7393 1 16 . 1 1 32 32 ASP H H 32 8.087 8.087 8.524 -0.437 25284 7394 1 16 . 1 1 33 33 LEU N N 33 122.380 122.380 119.676 2.704 25284 7395 1 16 . 1 1 33 33 LEU HA H 33 4.309 4.309 4.534 -0.225 25284 7396 1 16 . 1 1 33 33 LEU C C 33 174.879 174.879 174.874 0.005 25284 7397 1 16 . 1 1 33 33 LEU CA C 33 54.566 54.566 53.452 1.115 25284 7398 1 16 . 1 1 33 33 LEU CB C 33 42.528 42.528 44.682 -2.154 25284 7399 1 16 . 1 1 33 33 LEU H H 33 7.222 7.222 7.020 0.202 25284 7400 1 16 . 1 1 34 34 ARG N N 34 116.439 116.439 121.829 -5.390 25284 7401 1 16 . 1 1 34 34 ARG HA H 34 4.725 4.725 4.537 0.188 25284 7402 1 16 . 1 1 34 34 ARG C C 34 179.778 179.778 177.291 2.487 25284 7403 1 16 . 1 1 34 34 ARG CA C 34 55.536 55.536 55.117 0.419 25284 7404 1 16 . 1 1 34 34 ARG CB C 34 30.173 30.173 31.642 -1.469 25284 7405 1 16 . 1 1 34 34 ARG H H 34 8.487 8.487 8.192 0.295 25284 7406 1 16 . 1 1 35 35 PHE N N 35 123.548 123.548 121.925 1.623 25284 7407 1 16 . 1 1 35 35 PHE HA H 35 4.385 4.385 4.026 0.359 25284 7408 1 16 . 1 1 35 35 PHE C C 35 178.776 178.776 177.668 1.108 25284 7409 1 16 . 1 1 35 35 PHE CA C 35 63.121 63.121 62.721 0.399 25284 7410 1 16 . 1 1 35 35 PHE CB C 35 37.967 37.967 38.685 -0.718 25284 7411 1 16 . 1 1 35 35 PHE H H 35 8.455 8.455 9.096 -0.641 25284 7412 1 16 . 1 1 36 36 GLU N N 36 117.380 117.380 116.857 0.523 25284 7413 1 16 . 1 1 36 36 GLU HA H 36 4.358 4.358 4.202 0.156 25284 7414 1 16 . 1 1 36 36 GLU C C 36 178.612 178.612 177.544 1.068 25284 7415 1 16 . 1 1 36 36 GLU CA C 36 59.145 59.145 58.532 0.613 25284 7416 1 16 . 1 1 36 36 GLU CB C 36 29.301 29.301 29.269 0.032 25284 7417 1 16 . 1 1 36 36 GLU H H 36 9.560 9.560 8.787 0.773 25284 7418 1 16 . 1 1 37 37 ASP N N 37 118.596 118.596 117.952 0.644 25284 7419 1 16 . 1 1 37 37 ASP HA H 37 4.810 4.810 4.643 0.167 25284 7420 1 16 . 1 1 37 37 ASP C C 37 177.993 177.993 177.264 0.729 25284 7421 1 16 . 1 1 37 37 ASP CA C 37 56.474 56.474 55.774 0.700 25284 7422 1 16 . 1 1 37 37 ASP CB C 37 41.411 41.411 41.739 -0.327 25284 7423 1 16 . 1 1 37 37 ASP H H 37 7.546 7.546 7.836 -0.290 25284 7424 1 16 . 1 1 38 38 ILE N N 38 113.080 113.080 112.474 0.606 25284 7425 1 16 . 1 1 38 38 ILE HA H 38 4.663 4.663 4.525 0.138 25284 7426 1 16 . 1 1 38 38 ILE C C 38 176.140 176.140 176.836 -0.696 25284 7427 1 16 . 1 1 38 38 ILE CA C 38 62.038 62.038 60.927 1.111 25284 7428 1 16 . 1 1 38 38 ILE CB C 38 38.755 38.755 37.841 0.914 25284 7429 1 16 . 1 1 38 38 ILE H H 38 7.725 7.725 7.229 0.496 25284 7430 1 16 . 1 1 39 39 GLY N N 39 107.376 107.376 108.976 -1.600 25284 7431 1 16 . 1 1 39 39 GLY C C 39 174.497 174.497 174.491 0.006 25284 7432 1 16 . 1 1 39 39 GLY CA C 39 46.580 46.580 45.745 0.835 25284 7433 1 16 . 1 1 39 39 GLY H H 39 7.736 7.736 7.775 -0.039 25284 7434 1 16 . 1 1 40 40 TYR N N 40 121.883 121.883 120.753 1.130 25284 7435 1 16 . 1 1 40 40 TYR HA H 40 4.583 4.583 4.589 -0.006 25284 7436 1 16 . 1 1 40 40 TYR C C 40 174.479 174.479 175.214 -0.735 25284 7437 1 16 . 1 1 40 40 TYR CA C 40 58.153 58.153 58.579 -0.426 25284 7438 1 16 . 1 1 40 40 TYR CB C 40 40.535 40.535 38.899 1.636 25284 7439 1 16 . 1 1 40 40 TYR H H 40 8.059 8.059 8.364 -0.305 25284 7440 1 16 . 1 1 41 41 ASP N N 41 124.021 124.021 123.095 0.926 25284 7441 1 16 . 1 1 41 41 ASP HA H 41 4.739 4.739 4.764 -0.025 25284 7442 1 16 . 1 1 41 41 ASP C C 41 175.831 175.831 177.110 -1.279 25284 7443 1 16 . 1 1 41 41 ASP CA C 41 52.669 52.669 52.777 -0.108 25284 7444 1 16 . 1 1 41 41 ASP CB C 41 42.015 42.015 43.789 -1.774 25284 7445 1 16 . 1 1 41 41 ASP H H 41 7.992 7.992 8.300 -0.308 25284 7446 1 16 . 1 1 42 42 SER N N 42 114.198 114.198 115.999 -1.801 25284 7447 1 16 . 1 1 42 42 SER HA H 42 4.272 4.272 4.378 -0.106 25284 7448 1 16 . 1 1 42 42 SER C C 42 176.102 176.102 176.854 -0.752 25284 7449 1 16 . 1 1 42 42 SER CA C 42 60.657 60.657 60.798 -0.141 25284 7450 1 16 . 1 1 42 42 SER CB C 42 66.110 66.110 63.068 3.042 25284 7451 1 16 . 1 1 43 43 LEU N N 43 124.254 124.254 121.732 2.522 25284 7452 1 16 . 1 1 43 43 LEU HA H 43 4.269 4.269 3.989 0.280 25284 7453 1 16 . 1 1 43 43 LEU C C 43 179.140 179.140 178.433 0.707 25284 7454 1 16 . 1 1 43 43 LEU CA C 43 58.567 58.567 58.084 0.483 25284 7455 1 16 . 1 1 43 43 LEU CB C 43 41.178 41.178 41.231 -0.053 25284 7456 1 16 . 1 1 43 43 LEU H H 43 7.792 7.792 8.054 -0.262 25284 7457 1 16 . 1 1 44 44 ALA N N 44 123.473 123.473 120.278 3.195 25284 7458 1 16 . 1 1 44 44 ALA HA H 44 4.318 4.318 3.849 0.469 25284 7459 1 16 . 1 1 44 44 ALA C C 44 181.903 181.903 179.584 2.319 25284 7460 1 16 . 1 1 44 44 ALA CA C 44 55.068 55.068 54.635 0.433 25284 7461 1 16 . 1 1 44 44 ALA CB C 44 18.556 18.556 17.978 0.578 25284 7462 1 16 . 1 1 44 44 ALA H H 44 8.140 8.140 7.875 0.265 25284 7463 1 16 . 1 1 45 45 LEU N N 45 121.524 121.524 120.479 1.045 25284 7464 1 16 . 1 1 45 45 LEU HA H 45 3.898 3.898 4.060 -0.162 25284 7465 1 16 . 1 1 45 45 LEU C C 45 179.040 179.040 178.748 0.292 25284 7466 1 16 . 1 1 45 45 LEU CA C 45 58.475 58.475 57.468 1.007 25284 7467 1 16 . 1 1 45 45 LEU CB C 45 41.780 41.780 40.918 0.862 25284 7468 1 16 . 1 1 45 45 LEU H H 45 8.442 8.442 7.556 0.886 25284 7469 1 16 . 1 1 46 46 MET N N 46 119.769 119.769 118.082 1.687 25284 7470 1 16 . 1 1 46 46 MET HA H 46 4.265 4.265 3.872 0.393 25284 7471 1 16 . 1 1 46 46 MET C C 46 180.609 180.609 178.436 2.173 25284 7472 1 16 . 1 1 46 46 MET CA C 46 58.853 58.853 59.864 -1.011 25284 7473 1 16 . 1 1 46 46 MET CB C 46 32.119 32.119 31.919 0.200 25284 7474 1 16 . 1 1 46 46 MET H H 46 8.234 8.234 8.350 -0.116 25284 7475 1 16 . 1 1 47 47 GLU N N 47 121.097 121.097 118.803 2.294 25284 7476 1 16 . 1 1 47 47 GLU HA H 47 4.228 4.228 4.033 0.195 25284 7477 1 16 . 1 1 47 47 GLU C C 47 179.333 179.333 179.442 -0.109 25284 7478 1 16 . 1 1 47 47 GLU CA C 47 59.644 59.644 59.548 0.096 25284 7479 1 16 . 1 1 47 47 GLU CB C 47 28.977 28.977 29.087 -0.110 25284 7480 1 16 . 1 1 47 47 GLU H H 47 8.517 8.517 8.239 0.278 25284 7481 1 16 . 1 1 48 48 THR N N 48 118.834 118.834 117.183 1.651 25284 7482 1 16 . 1 1 48 48 THR HA H 48 3.961 3.961 4.063 -0.102 25284 7483 1 16 . 1 1 48 48 THR C C 48 176.348 176.348 176.556 -0.208 25284 7484 1 16 . 1 1 48 48 THR CA C 48 67.842 67.842 66.501 1.341 25284 7485 1 16 . 1 1 48 48 THR CB C 48 68.056 68.056 68.924 -0.868 25284 7486 1 16 . 1 1 48 48 THR H H 48 8.325 8.325 8.186 0.139 25284 7487 1 16 . 1 1 49 49 ALA N N 49 123.924 123.924 123.080 0.844 25284 7488 1 16 . 1 1 49 49 ALA HA H 49 3.926 3.926 4.066 -0.140 25284 7489 1 16 . 1 1 49 49 ALA C C 49 178.608 178.608 179.398 -0.790 25284 7490 1 16 . 1 1 49 49 ALA CA C 49 56.247 56.247 55.016 1.232 25284 7491 1 16 . 1 1 49 49 ALA CB C 49 17.569 17.569 18.182 -0.613 25284 7492 1 16 . 1 1 49 49 ALA H H 49 8.747 8.747 8.034 0.713 25284 7493 1 16 . 1 1 50 50 ALA N N 50 119.691 119.691 121.559 -1.868 25284 7494 1 16 . 1 1 50 50 ALA HA H 50 4.269 4.269 4.391 -0.122 25284 7495 1 16 . 1 1 50 50 ALA C C 50 181.310 181.310 179.269 2.041 25284 7496 1 16 . 1 1 50 50 ALA CA C 50 55.422 55.422 54.701 0.721 25284 7497 1 16 . 1 1 50 50 ALA CB C 50 18.171 18.171 18.278 -0.107 25284 7498 1 16 . 1 1 50 50 ALA H H 50 8.245 8.245 8.625 -0.380 25284 7499 1 16 . 1 1 51 51 ARG N N 51 119.913 119.913 118.724 1.189 25284 7500 1 16 . 1 1 51 51 ARG HA H 51 4.247 4.247 4.152 0.095 25284 7501 1 16 . 1 1 51 51 ARG C C 51 179.808 179.808 178.546 1.262 25284 7502 1 16 . 1 1 51 51 ARG CA C 51 59.673 59.673 58.786 0.887 25284 7503 1 16 . 1 1 51 51 ARG CB C 51 30.539 30.539 29.975 0.564 25284 7504 1 16 . 1 1 51 51 ARG H H 51 8.129 8.129 8.085 0.044 25284 7505 1 16 . 1 1 52 52 LEU N N 52 120.624 120.624 118.690 1.934 25284 7506 1 16 . 1 1 52 52 LEU HA H 52 4.319 4.319 4.332 -0.013 25284 7507 1 16 . 1 1 52 52 LEU C C 52 179.192 179.192 178.802 0.390 25284 7508 1 16 . 1 1 52 52 LEU CA C 52 58.253 58.253 57.404 0.849 25284 7509 1 16 . 1 1 52 52 LEU CB C 52 42.812 42.812 41.740 1.072 25284 7510 1 16 . 1 1 52 52 LEU H H 52 8.423 8.423 7.348 1.075 25284 7511 1 16 . 1 1 53 53 GLU N N 53 119.779 119.779 120.750 -0.971 25284 7512 1 16 . 1 1 53 53 GLU HA H 53 4.108 4.108 3.968 0.140 25284 7513 1 16 . 1 1 53 53 GLU C C 53 179.388 179.388 179.450 -0.062 25284 7514 1 16 . 1 1 53 53 GLU CA C 53 60.211 60.211 60.146 0.065 25284 7515 1 16 . 1 1 53 53 GLU CB C 53 29.143 29.143 29.430 -0.287 25284 7516 1 16 . 1 1 53 53 GLU H H 53 8.974 8.974 8.655 0.319 25284 7517 1 16 . 1 1 54 54 SER N N 54 113.169 113.169 113.297 -0.128 25284 7518 1 16 . 1 1 54 54 SER HA H 54 4.384 4.384 4.278 0.106 25284 7519 1 16 . 1 1 54 54 SER C C 54 176.953 176.953 175.824 1.129 25284 7520 1 16 . 1 1 54 54 SER CA C 54 61.279 61.279 61.118 0.161 25284 7521 1 16 . 1 1 54 54 SER CB C 54 63.402 63.402 63.229 0.173 25284 7522 1 16 . 1 1 54 54 SER H H 54 8.037 8.037 8.021 0.016 25284 7523 1 16 . 1 1 55 55 ARG N N 55 120.851 120.851 121.103 -0.252 25284 7524 1 16 . 1 1 55 55 ARG HA H 55 4.100 4.100 4.208 -0.108 25284 7525 1 16 . 1 1 55 55 ARG C C 55 177.905 177.905 177.835 0.070 25284 7526 1 16 . 1 1 55 55 ARG CA C 55 58.949 58.949 58.050 0.899 25284 7527 1 16 . 1 1 55 55 ARG CB C 55 30.896 30.896 30.867 0.028 25284 7528 1 16 . 1 1 55 55 ARG H H 55 8.099 8.099 7.539 0.560 25284 7529 1 16 . 1 1 56 56 TYR N N 56 113.669 113.669 117.171 -3.502 25284 7530 1 16 . 1 1 56 56 TYR HA H 56 4.687 4.687 4.506 0.181 25284 7531 1 16 . 1 1 56 56 TYR C C 56 176.069 176.069 176.800 -0.731 25284 7532 1 16 . 1 1 56 56 TYR CA C 56 59.055 59.055 59.676 -0.621 25284 7533 1 16 . 1 1 56 56 TYR CB C 56 39.465 39.465 39.658 -0.193 25284 7534 1 16 . 1 1 56 56 TYR H H 56 8.158 8.158 8.432 -0.274 25284 7535 1 16 . 1 1 57 57 GLY N N 57 109.856 109.856 108.202 1.654 25284 7536 1 16 . 1 1 57 57 GLY C C 57 174.642 174.642 173.755 0.887 25284 7537 1 16 . 1 1 57 57 GLY CA C 57 47.476 47.476 44.837 2.639 25284 7538 1 16 . 1 1 57 57 GLY H H 57 7.982 7.982 8.163 -0.181 25284 7539 1 16 . 1 1 58 58 VAL N N 58 112.572 112.572 115.062 -2.490 25284 7540 1 16 . 1 1 58 58 VAL HA H 58 4.676 4.676 4.617 0.059 25284 7541 1 16 . 1 1 58 58 VAL C C 58 174.069 174.069 173.497 0.572 25284 7542 1 16 . 1 1 58 58 VAL CA C 58 59.313 59.313 59.404 -0.091 25284 7543 1 16 . 1 1 58 58 VAL CB C 58 34.744 34.744 34.614 0.130 25284 7544 1 16 . 1 1 58 58 VAL H H 58 7.497 7.497 7.643 -0.146 25284 7545 1 16 . 1 1 59 59 SER N N 59 117.179 117.179 114.365 2.814 25284 7546 1 16 . 1 1 59 59 SER HA H 59 4.846 4.846 5.189 -0.343 25284 7547 1 16 . 1 1 59 59 SER C C 59 173.699 173.699 173.251 0.448 25284 7548 1 16 . 1 1 59 59 SER CA C 59 57.401 57.401 57.835 -0.434 25284 7549 1 16 . 1 1 59 59 SER CB C 59 64.502 64.502 64.731 -0.229 25284 7550 1 16 . 1 1 59 59 SER H H 59 8.489 8.489 8.084 0.405 25284 7551 1 16 . 1 1 60 60 ILE N N 60 125.858 125.858 126.030 -0.172 25284 7552 1 16 . 1 1 60 60 ILE HA H 60 4.651 4.651 4.436 0.215 25284 7553 1 16 . 1 1 60 60 ILE CA C 60 57.694 57.694 58.395 -0.701 25284 7554 1 16 . 1 1 60 60 ILE CB C 60 40.500 40.500 39.718 0.782 25284 7555 1 16 . 1 1 60 60 ILE H H 60 8.222 8.222 9.157 -0.935 25284 7556 1 16 . 1 1 61 61 PRO HA H 61 4.530 4.530 4.516 0.014 25284 7557 1 16 . 1 1 61 61 PRO C C 61 177.512 177.512 176.878 0.634 25284 7558 1 16 . 1 1 61 61 PRO CA C 61 63.561 63.561 62.369 1.192 25284 7559 1 16 . 1 1 61 61 PRO CB C 61 32.770 32.770 32.373 0.397 25284 7560 1 16 . 1 1 62 62 ASP N N 62 123.459 123.459 122.700 0.759 25284 7561 1 16 . 1 1 62 62 ASP HA H 62 4.449 4.449 4.147 0.302 25284 7562 1 16 . 1 1 62 62 ASP C C 62 177.284 177.284 177.864 -0.580 25284 7563 1 16 . 1 1 62 62 ASP CA C 62 57.112 57.112 57.249 -0.137 25284 7564 1 16 . 1 1 62 62 ASP CB C 62 40.740 40.740 40.592 0.149 25284 7565 1 16 . 1 1 62 62 ASP H H 62 8.831 8.831 8.619 0.212 25284 7566 1 16 . 1 1 63 63 ASP N N 63 116.794 116.794 118.982 -2.188 25284 7567 1 16 . 1 1 63 63 ASP HA H 63 4.529 4.529 4.403 0.126 25284 7568 1 16 . 1 1 63 63 ASP C C 63 177.294 177.294 178.407 -1.113 25284 7569 1 16 . 1 1 63 63 ASP CA C 63 54.956 54.956 56.665 -1.709 25284 7570 1 16 . 1 1 63 63 ASP CB C 63 39.687 39.687 40.751 -1.064 25284 7571 1 16 . 1 1 63 63 ASP H H 63 8.617 8.617 8.560 0.057 25284 7572 1 16 . 1 1 64 64 VAL N N 64 119.209 119.209 119.535 -0.326 25284 7573 1 16 . 1 1 64 64 VAL HA H 64 3.812 3.812 3.845 -0.033 25284 7574 1 16 . 1 1 64 64 VAL C C 64 177.556 177.556 177.759 -0.203 25284 7575 1 16 . 1 1 64 64 VAL CA C 64 65.179 65.179 64.963 0.216 25284 7576 1 16 . 1 1 64 64 VAL CB C 64 32.413 32.413 31.538 0.875 25284 7577 1 16 . 1 1 64 64 VAL H H 64 7.407 7.407 7.701 -0.294 25284 7578 1 16 . 1 1 65 65 ALA N N 65 122.418 122.418 123.438 -1.020 25284 7579 1 16 . 1 1 65 65 ALA HA H 65 3.987 3.987 4.145 -0.158 25284 7580 1 16 . 1 1 65 65 ALA C C 65 177.994 177.994 178.578 -0.584 25284 7581 1 16 . 1 1 65 65 ALA CA C 65 54.842 54.842 54.533 0.309 25284 7582 1 16 . 1 1 65 65 ALA CB C 65 18.522 18.522 18.323 0.199 25284 7583 1 16 . 1 1 65 65 ALA H H 65 8.246 8.246 7.460 0.786 25284 7584 1 16 . 1 1 66 66 GLY N N 66 100.378 100.378 104.360 -3.982 25284 7585 1 16 . 1 1 66 66 GLY C C 66 174.387 174.387 175.035 -0.648 25284 7586 1 16 . 1 1 66 66 GLY CA C 66 46.015 46.015 45.786 0.229 25284 7587 1 16 . 1 1 66 66 GLY H H 66 8.021 8.021 7.882 0.139 25284 7588 1 16 . 1 1 67 67 ARG N N 67 116.838 116.838 119.202 -2.364 25284 7589 1 16 . 1 1 67 67 ARG HA H 67 4.623 4.623 4.482 0.141 25284 7590 1 16 . 1 1 67 67 ARG C C 67 176.509 176.509 176.223 0.286 25284 7591 1 16 . 1 1 67 67 ARG CA C 67 55.883 55.883 54.694 1.189 25284 7592 1 16 . 1 1 67 67 ARG CB C 67 31.911 31.911 30.172 1.739 25284 7593 1 16 . 1 1 67 67 ARG H H 67 7.483 7.483 7.752 -0.269 25284 7594 1 16 . 1 1 68 68 VAL N N 68 114.649 114.649 116.533 -1.884 25284 7595 1 16 . 1 1 68 68 VAL HA H 68 4.468 4.468 4.202 0.266 25284 7596 1 16 . 1 1 68 68 VAL C C 68 175.192 175.192 175.454 -0.262 25284 7597 1 16 . 1 1 68 68 VAL CA C 68 61.819 61.819 60.650 1.169 25284 7598 1 16 . 1 1 68 68 VAL CB C 68 33.624 33.624 33.206 0.418 25284 7599 1 16 . 1 1 68 68 VAL H H 68 7.284 7.284 7.260 0.024 25284 7600 1 16 . 1 1 69 69 ASP N N 69 120.972 120.972 116.460 4.512 25284 7601 1 16 . 1 1 69 69 ASP HA H 69 5.264 5.264 4.823 0.441 25284 7602 1 16 . 1 1 69 69 ASP C C 69 176.970 176.970 175.315 1.655 25284 7603 1 16 . 1 1 69 69 ASP CA C 69 55.811 55.811 55.371 0.440 25284 7604 1 16 . 1 1 69 69 ASP CB C 69 44.441 44.441 42.665 1.776 25284 7605 1 16 . 1 1 69 69 ASP H H 69 9.167 9.167 8.547 0.620 25284 7606 1 16 . 1 1 70 70 THR N N 70 108.311 108.311 110.678 -2.367 25284 7607 1 16 . 1 1 70 70 THR HA H 70 4.939 4.939 5.037 -0.098 25284 7608 1 16 . 1 1 70 70 THR CA C 70 57.823 57.823 58.267 -0.444 25284 7609 1 16 . 1 1 70 70 THR CB C 70 71.412 71.412 70.781 0.631 25284 7610 1 16 . 1 1 70 70 THR H H 70 7.477 7.477 7.812 -0.335 25284 7611 1 16 . 1 1 71 71 PRO HA H 71 4.235 4.235 4.178 0.057 25284 7612 1 16 . 1 1 71 71 PRO C C 71 177.422 177.422 177.502 -0.080 25284 7613 1 16 . 1 1 71 71 PRO CA C 71 66.002 66.002 65.308 0.693 25284 7614 1 16 . 1 1 71 71 PRO CB C 71 32.686 32.686 31.338 1.348 25284 7615 1 16 . 1 1 72 72 ARG N N 72 117.972 117.972 116.968 1.004 25284 7616 1 16 . 1 1 72 72 ARG HA H 72 3.609 3.609 4.015 -0.406 25284 7617 1 16 . 1 1 72 72 ARG C C 72 177.616 177.616 178.316 -0.700 25284 7618 1 16 . 1 1 72 72 ARG CA C 72 60.243 60.243 59.200 1.043 25284 7619 1 16 . 1 1 72 72 ARG CB C 72 30.524 30.524 29.301 1.223 25284 7620 1 16 . 1 1 72 72 ARG H H 72 9.016 9.016 7.784 1.232 25284 7621 1 16 . 1 1 73 73 GLU N N 73 116.790 116.790 120.072 -3.282 25284 7622 1 16 . 1 1 73 73 GLU HA H 73 4.242 4.242 4.185 0.057 25284 7623 1 16 . 1 1 73 73 GLU C C 73 180.200 180.200 178.694 1.506 25284 7624 1 16 . 1 1 73 73 GLU CA C 73 59.226 59.226 58.392 0.834 25284 7625 1 16 . 1 1 73 73 GLU CB C 73 30.069 30.069 29.085 0.984 25284 7626 1 16 . 1 1 73 73 GLU H H 73 7.838 7.838 7.877 -0.039 25284 7627 1 16 . 1 1 74 74 LEU N N 74 120.656 120.656 122.084 -1.428 25284 7628 1 16 . 1 1 74 74 LEU HA H 74 4.313 4.313 4.176 0.137 25284 7629 1 16 . 1 1 74 74 LEU C C 74 177.023 177.023 178.418 -1.395 25284 7630 1 16 . 1 1 74 74 LEU CA C 74 58.179 58.179 57.490 0.688 25284 7631 1 16 . 1 1 74 74 LEU CB C 74 42.292 42.292 41.628 0.664 25284 7632 1 16 . 1 1 74 74 LEU H H 74 7.703 7.703 7.423 0.280 25284 7633 1 16 . 1 1 75 75 LEU N N 75 121.434 121.434 119.367 2.067 25284 7634 1 16 . 1 1 75 75 LEU HA H 75 3.894 3.894 3.993 -0.099 25284 7635 1 16 . 1 1 75 75 LEU C C 75 178.169 178.169 177.704 0.465 25284 7636 1 16 . 1 1 75 75 LEU CA C 75 58.562 58.562 58.081 0.481 25284 7637 1 16 . 1 1 75 75 LEU CB C 75 42.408 42.408 41.435 0.973 25284 7638 1 16 . 1 1 75 75 LEU H H 75 8.743 8.743 8.544 0.199 25284 7639 1 16 . 1 1 76 76 ASP N N 76 117.849 117.849 119.633 -1.784 25284 7640 1 16 . 1 1 76 76 ASP HA H 76 4.488 4.488 4.335 0.153 25284 7641 1 16 . 1 1 76 76 ASP C C 76 180.127 180.127 178.516 1.611 25284 7642 1 16 . 1 1 76 76 ASP CA C 76 57.487 57.487 57.545 -0.058 25284 7643 1 16 . 1 1 76 76 ASP CB C 76 40.085 40.085 40.785 -0.700 25284 7644 1 16 . 1 1 76 76 ASP H H 76 8.711 8.711 7.646 1.065 25284 7645 1 16 . 1 1 77 77 LEU N N 77 123.252 123.252 120.300 2.952 25284 7646 1 16 . 1 1 77 77 LEU HA H 77 4.303 4.303 3.928 0.375 25284 7647 1 16 . 1 1 77 77 LEU C C 77 180.621 180.621 179.170 1.451 25284 7648 1 16 . 1 1 77 77 LEU CA C 77 58.439 58.439 57.958 0.481 25284 7649 1 16 . 1 1 77 77 LEU CB C 77 42.905 42.905 41.741 1.164 25284 7650 1 16 . 1 1 77 77 LEU H H 77 8.009 8.009 7.524 0.485 25284 7651 1 16 . 1 1 78 78 ILE N N 78 120.216 120.216 119.920 0.296 25284 7652 1 16 . 1 1 78 78 ILE HA H 78 3.750 3.750 3.560 0.190 25284 7653 1 16 . 1 1 78 78 ILE C C 78 177.713 177.713 178.227 -0.514 25284 7654 1 16 . 1 1 78 78 ILE CA C 78 64.757 64.757 64.320 0.437 25284 7655 1 16 . 1 1 78 78 ILE CB C 78 37.402 37.402 36.422 0.980 25284 7656 1 16 . 1 1 78 78 ILE H H 78 8.294 8.294 7.758 0.536 25284 7657 1 16 . 1 1 79 79 ASN N N 79 118.191 118.191 117.732 0.459 25284 7658 1 16 . 1 1 79 79 ASN HA H 79 4.912 4.912 4.398 0.514 25284 7659 1 16 . 1 1 79 79 ASN C C 79 179.524 179.524 178.332 1.192 25284 7660 1 16 . 1 1 79 79 ASN CA C 79 55.473 55.473 55.710 -0.237 25284 7661 1 16 . 1 1 79 79 ASN CB C 79 37.331 37.331 37.893 -0.562 25284 7662 1 16 . 1 1 79 79 ASN H H 79 8.887 8.887 8.305 0.582 25284 7663 1 16 . 1 1 80 80 GLY N N 80 110.387 110.387 108.584 1.803 25284 7664 1 16 . 1 1 80 80 GLY C C 80 175.783 175.783 175.298 0.485 25284 7665 1 16 . 1 1 80 80 GLY CA C 80 47.166 47.166 46.616 0.550 25284 7666 1 16 . 1 1 80 80 GLY H H 80 8.436 8.436 8.391 0.045 25284 7667 1 16 . 1 1 81 81 ALA N N 81 124.420 124.420 124.278 0.142 25284 7668 1 16 . 1 1 81 81 ALA HA H 81 4.460 4.460 4.218 0.242 25284 7669 1 16 . 1 1 81 81 ALA C C 81 179.892 179.892 179.980 -0.088 25284 7670 1 16 . 1 1 81 81 ALA CA C 81 54.389 54.389 54.421 -0.032 25284 7671 1 16 . 1 1 81 81 ALA CB C 81 18.824 18.824 18.461 0.363 25284 7672 1 16 . 1 1 81 81 ALA H H 81 7.606 7.606 7.975 -0.369 25284 7673 1 16 . 1 1 82 82 LEU N N 82 120.239 120.239 120.594 -0.355 25284 7674 1 16 . 1 1 82 82 LEU HA H 82 4.214 4.214 4.057 0.157 25284 7675 1 16 . 1 1 82 82 LEU C C 82 178.884 178.884 177.683 1.201 25284 7676 1 16 . 1 1 82 82 LEU CA C 82 57.098 57.098 57.527 -0.429 25284 7677 1 16 . 1 1 82 82 LEU CB C 82 42.739 42.739 41.794 0.945 25284 7678 1 16 . 1 1 82 82 LEU H H 82 8.285 8.285 8.556 -0.271 25284 7679 1 16 . 1 1 83 83 ALA N N 83 121.614 121.614 120.378 1.236 25284 7680 1 16 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.099 0.200 25284 7681 1 16 . 1 1 83 83 ALA C C 83 178.788 178.788 178.923 -0.135 25284 7682 1 16 . 1 1 83 83 ALA CA C 83 54.049 54.049 54.628 -0.579 25284 7683 1 16 . 1 1 83 83 ALA CB C 83 18.944 18.944 17.989 0.955 25284 7684 1 16 . 1 1 83 83 ALA H H 83 7.973 7.973 7.757 0.216 25284 7685 1 16 . 1 1 84 84 GLU N N 84 117.412 117.412 118.690 -1.278 25284 7686 1 16 . 1 1 84 84 GLU HA H 84 4.385 4.385 4.196 0.189 25284 7687 1 16 . 1 1 84 84 GLU C C 84 176.406 176.406 177.465 -1.059 25284 7688 1 16 . 1 1 84 84 GLU CA C 84 56.872 56.872 57.653 -0.781 25284 7689 1 16 . 1 1 84 84 GLU CB C 84 29.773 29.773 30.002 -0.229 25284 7690 1 16 . 1 1 84 84 GLU H H 84 7.753 7.753 7.900 -0.147 25284 7691 1 16 . 1 1 85 85 ALA N N 85 124.256 124.256 120.777 3.479 25284 7692 1 16 . 1 1 85 85 ALA HA H 85 4.471 4.471 4.493 -0.022 25284 7693 1 16 . 1 1 85 85 ALA C C 85 176.625 176.625 176.773 -0.148 25284 7694 1 16 . 1 1 85 85 ALA CA C 85 52.679 52.679 52.546 0.133 25284 7695 1 16 . 1 1 85 85 ALA CB C 85 19.702 19.702 20.450 -0.748 25284 7696 1 16 . 1 1 85 85 ALA H H 85 7.832 7.832 7.615 0.217 25284 7697 1 17 . 1 1 2 2 ALA HA H 2 4.279 4.279 4.818 -0.539 25284 7698 1 17 . 1 1 2 2 ALA C C 2 173.785 173.785 176.185 -2.400 25284 7699 1 17 . 1 1 2 2 ALA CA C 2 52.136 52.136 51.527 0.609 25284 7700 1 17 . 1 1 2 2 ALA CB C 2 20.083 20.083 21.003 -0.920 25284 7701 1 17 . 1 1 3 3 THR N N 3 117.799 117.799 116.884 0.915 25284 7702 1 17 . 1 1 3 3 THR HA H 3 4.398 4.398 4.276 0.122 25284 7703 1 17 . 1 1 3 3 THR C C 3 172.979 172.979 173.191 -0.212 25284 7704 1 17 . 1 1 3 3 THR CA C 3 62.907 62.907 63.005 -0.098 25284 7705 1 17 . 1 1 3 3 THR CB C 3 70.082 70.082 67.989 2.093 25284 7706 1 17 . 1 1 3 3 THR H H 3 8.703 8.703 8.331 0.372 25284 7707 1 17 . 1 1 4 4 LEU N N 4 124.656 124.656 127.127 -2.471 25284 7708 1 17 . 1 1 4 4 LEU HA H 4 4.373 4.373 4.276 0.097 25284 7709 1 17 . 1 1 4 4 LEU C C 4 177.215 177.215 176.165 1.050 25284 7710 1 17 . 1 1 4 4 LEU CA C 4 54.852 54.852 54.096 0.756 25284 7711 1 17 . 1 1 4 4 LEU CB C 4 42.864 42.864 42.831 0.033 25284 7712 1 17 . 1 1 4 4 LEU H H 4 8.155 8.155 8.141 0.014 25284 7713 1 17 . 1 1 5 5 LEU N N 5 124.772 124.772 129.427 -4.655 25284 7714 1 17 . 1 1 5 5 LEU HA H 5 4.530 4.530 4.316 0.214 25284 7715 1 17 . 1 1 5 5 LEU C C 5 177.915 177.915 176.591 1.324 25284 7716 1 17 . 1 1 5 5 LEU CA C 5 55.564 55.564 55.993 -0.429 25284 7717 1 17 . 1 1 5 5 LEU CB C 5 42.806 42.806 42.163 0.643 25284 7718 1 17 . 1 1 5 5 LEU H H 5 9.421 9.421 8.662 0.759 25284 7719 1 17 . 1 1 6 6 THR N N 6 115.077 115.077 111.418 3.659 25284 7720 1 17 . 1 1 6 6 THR HA H 6 4.745 4.745 4.562 0.183 25284 7721 1 17 . 1 1 6 6 THR C C 6 175.958 175.958 175.441 0.517 25284 7722 1 17 . 1 1 6 6 THR CA C 6 60.159 60.159 59.677 0.482 25284 7723 1 17 . 1 1 6 6 THR CB C 6 72.442 72.442 70.922 1.520 25284 7724 1 17 . 1 1 6 6 THR H H 6 9.006 9.006 7.902 1.104 25284 7725 1 17 . 1 1 7 7 THR N N 7 115.895 115.895 116.541 -0.646 25284 7726 1 17 . 1 1 7 7 THR HA H 7 3.867 3.867 3.990 -0.123 25284 7727 1 17 . 1 1 7 7 THR C C 7 176.622 176.622 176.747 -0.125 25284 7728 1 17 . 1 1 7 7 THR CA C 7 67.331 67.331 66.719 0.612 25284 7729 1 17 . 1 1 7 7 THR CB C 7 68.496 68.496 68.480 0.016 25284 7730 1 17 . 1 1 7 7 THR H H 7 8.864 8.864 8.438 0.426 25284 7731 1 17 . 1 1 8 8 ASP N N 8 120.253 120.253 119.718 0.535 25284 7732 1 17 . 1 1 8 8 ASP HA H 8 4.629 4.629 4.381 0.248 25284 7733 1 17 . 1 1 8 8 ASP C C 8 178.593 178.593 178.438 0.155 25284 7734 1 17 . 1 1 8 8 ASP CA C 8 57.740 57.740 58.583 -0.843 25284 7735 1 17 . 1 1 8 8 ASP CB C 8 41.273 41.273 40.248 1.024 25284 7736 1 17 . 1 1 8 8 ASP H H 8 8.289 8.289 8.744 -0.455 25284 7737 1 17 . 1 1 9 9 ASP N N 9 120.653 120.653 119.834 0.819 25284 7738 1 17 . 1 1 9 9 ASP HA H 9 4.560 4.560 4.572 -0.012 25284 7739 1 17 . 1 1 9 9 ASP C C 9 179.465 179.465 178.321 1.144 25284 7740 1 17 . 1 1 9 9 ASP CA C 9 57.608 57.608 56.602 1.006 25284 7741 1 17 . 1 1 9 9 ASP CB C 9 41.559 41.559 41.273 0.286 25284 7742 1 17 . 1 1 9 9 ASP H H 9 7.916 7.916 7.849 0.067 25284 7743 1 17 . 1 1 10 10 LEU N N 10 121.585 121.585 121.742 -0.157 25284 7744 1 17 . 1 1 10 10 LEU HA H 10 4.216 4.216 4.117 0.099 25284 7745 1 17 . 1 1 10 10 LEU C C 10 177.517 177.517 178.222 -0.705 25284 7746 1 17 . 1 1 10 10 LEU CA C 10 58.031 58.031 57.873 0.158 25284 7747 1 17 . 1 1 10 10 LEU CB C 10 42.146 42.146 42.025 0.121 25284 7748 1 17 . 1 1 10 10 LEU H H 10 8.086 8.086 7.698 0.388 25284 7749 1 17 . 1 1 11 11 ARG N N 11 120.099 120.099 119.349 0.750 25284 7750 1 17 . 1 1 11 11 ARG HA H 11 3.514 3.514 3.582 -0.068 25284 7751 1 17 . 1 1 11 11 ARG C C 11 177.769 177.769 178.361 -0.592 25284 7752 1 17 . 1 1 11 11 ARG CA C 11 60.715 60.715 59.981 0.734 25284 7753 1 17 . 1 1 11 11 ARG CB C 11 30.775 30.775 29.923 0.852 25284 7754 1 17 . 1 1 11 11 ARG H H 11 8.852 8.852 8.697 0.155 25284 7755 1 17 . 1 1 12 12 ARG N N 12 115.840 115.840 118.580 -2.740 25284 7756 1 17 . 1 1 12 12 ARG HA H 12 4.032 4.032 4.006 0.026 25284 7757 1 17 . 1 1 12 12 ARG C C 12 178.492 178.492 178.781 -0.289 25284 7758 1 17 . 1 1 12 12 ARG CA C 12 59.592 59.592 59.214 0.378 25284 7759 1 17 . 1 1 12 12 ARG CB C 12 30.583 30.583 30.065 0.518 25284 7760 1 17 . 1 1 12 12 ARG H H 12 7.996 7.996 7.530 0.466 25284 7761 1 17 . 1 1 13 13 ALA N N 13 120.184 120.184 121.889 -1.705 25284 7762 1 17 . 1 1 13 13 ALA HA H 13 4.401 4.401 4.210 0.191 25284 7763 1 17 . 1 1 13 13 ALA C C 13 180.114 180.114 179.846 0.268 25284 7764 1 17 . 1 1 13 13 ALA CA C 13 54.938 54.938 54.783 0.155 25284 7765 1 17 . 1 1 13 13 ALA CB C 13 18.756 18.756 18.595 0.161 25284 7766 1 17 . 1 1 13 13 ALA H H 13 7.705 7.705 8.072 -0.367 25284 7767 1 17 . 1 1 14 14 LEU N N 14 119.427 119.427 119.692 -0.265 25284 7768 1 17 . 1 1 14 14 LEU HA H 14 4.424 4.424 4.168 0.256 25284 7769 1 17 . 1 1 14 14 LEU C C 14 179.766 179.766 179.159 0.607 25284 7770 1 17 . 1 1 14 14 LEU CA C 14 57.568 57.568 57.595 -0.027 25284 7771 1 17 . 1 1 14 14 LEU CB C 14 42.039 42.039 42.159 -0.120 25284 7772 1 17 . 1 1 14 14 LEU H H 14 8.424 8.424 8.234 0.190 25284 7773 1 17 . 1 1 15 15 VAL N N 15 121.004 121.004 118.552 2.452 25284 7774 1 17 . 1 1 15 15 VAL HA H 15 3.920 3.920 3.831 0.089 25284 7775 1 17 . 1 1 15 15 VAL C C 15 179.014 179.014 178.529 0.485 25284 7776 1 17 . 1 1 15 15 VAL CA C 15 66.259 66.259 66.116 0.143 25284 7777 1 17 . 1 1 15 15 VAL CB C 15 32.137 32.137 31.422 0.715 25284 7778 1 17 . 1 1 15 15 VAL H H 15 8.519 8.519 7.447 1.072 25284 7779 1 17 . 1 1 16 16 GLU N N 16 119.984 119.984 118.514 1.470 25284 7780 1 17 . 1 1 16 16 GLU HA H 16 4.206 4.206 4.117 0.089 25284 7781 1 17 . 1 1 16 16 GLU C C 16 178.547 178.547 177.892 0.655 25284 7782 1 17 . 1 1 16 16 GLU CA C 16 59.042 59.042 58.889 0.153 25284 7783 1 17 . 1 1 16 16 GLU CB C 16 29.692 29.692 28.875 0.817 25284 7784 1 17 . 1 1 16 16 GLU H H 16 8.218 8.218 7.854 0.364 25284 7785 1 17 . 1 1 17 17 SER N N 17 113.928 113.928 114.012 -0.084 25284 7786 1 17 . 1 1 17 17 SER HA H 17 4.577 4.577 4.722 -0.145 25284 7787 1 17 . 1 1 17 17 SER C C 17 174.273 174.273 173.721 0.552 25284 7788 1 17 . 1 1 17 17 SER CA C 17 59.940 59.940 58.969 0.970 25284 7789 1 17 . 1 1 17 17 SER CB C 17 64.378 64.378 63.672 0.706 25284 7790 1 17 . 1 1 17 17 SER H H 17 7.798 7.798 7.644 0.154 25284 7791 1 17 . 1 1 18 18 ALA N N 18 123.357 123.357 124.382 -1.025 25284 7792 1 17 . 1 1 18 18 ALA HA H 18 4.347 4.347 4.357 -0.010 25284 7793 1 17 . 1 1 18 18 ALA C C 18 178.292 178.292 176.742 1.550 25284 7794 1 17 . 1 1 18 18 ALA CA C 18 52.991 52.991 51.401 1.590 25284 7795 1 17 . 1 1 18 18 ALA CB C 18 19.965 19.965 19.170 0.795 25284 7796 1 17 . 1 1 18 18 ALA H H 18 7.813 7.813 7.404 0.409 25284 7797 1 17 . 1 1 19 19 GLY N N 19 107.711 107.711 109.905 -2.194 25284 7798 1 17 . 1 1 19 19 GLY C C 19 174.440 174.440 174.769 -0.329 25284 7799 1 17 . 1 1 19 19 GLY CA C 19 45.650 45.650 46.037 -0.387 25284 7800 1 17 . 1 1 19 19 GLY H H 19 8.256 8.256 8.787 -0.531 25284 7801 1 17 . 1 1 20 20 GLU N N 20 120.763 120.763 120.302 0.461 25284 7802 1 17 . 1 1 20 20 GLU HA H 20 4.477 4.477 4.294 0.183 25284 7803 1 17 . 1 1 20 20 GLU C C 20 176.905 176.905 175.904 1.001 25284 7804 1 17 . 1 1 20 20 GLU CA C 20 56.896 56.896 56.673 0.223 25284 7805 1 17 . 1 1 20 20 GLU CB C 20 30.160 30.160 29.380 0.780 25284 7806 1 17 . 1 1 20 20 GLU H H 20 8.508 8.508 8.352 0.156 25284 7807 1 17 . 1 1 21 21 THR N N 21 114.316 114.316 117.452 -3.136 25284 7808 1 17 . 1 1 21 21 THR HA H 21 4.529 4.529 4.481 0.048 25284 7809 1 17 . 1 1 21 21 THR C C 21 174.564 174.564 173.164 1.400 25284 7810 1 17 . 1 1 21 21 THR CA C 21 61.942 61.942 62.249 -0.307 25284 7811 1 17 . 1 1 21 21 THR CB C 21 70.323 70.323 68.854 1.469 25284 7812 1 17 . 1 1 21 21 THR H H 21 8.258 8.258 7.717 0.541 25284 7813 1 17 . 1 1 22 22 ASP N N 22 122.479 122.479 124.701 -2.222 25284 7814 1 17 . 1 1 22 22 ASP HA H 22 4.728 4.728 4.785 -0.057 25284 7815 1 17 . 1 1 22 22 ASP C C 22 176.913 176.913 175.895 1.018 25284 7816 1 17 . 1 1 22 22 ASP CA C 22 54.806 54.806 53.322 1.484 25284 7817 1 17 . 1 1 22 22 ASP CB C 22 41.144 41.144 40.892 0.252 25284 7818 1 17 . 1 1 22 22 ASP H H 22 8.506 8.506 8.186 0.320 25284 7819 1 17 . 1 1 23 23 GLY N N 23 109.608 109.608 113.090 -3.482 25284 7820 1 17 . 1 1 23 23 GLY C C 23 174.806 174.806 174.169 0.637 25284 7821 1 17 . 1 1 23 23 GLY CA C 23 45.969 45.969 45.834 0.135 25284 7822 1 17 . 1 1 23 23 GLY H H 23 8.503 8.503 8.377 0.126 25284 7823 1 17 . 1 1 24 24 THR N N 24 116.205 116.205 115.793 0.412 25284 7824 1 17 . 1 1 24 24 THR HA H 24 4.333 4.333 4.380 -0.047 25284 7825 1 17 . 1 1 24 24 THR C C 24 174.247 174.247 174.721 -0.474 25284 7826 1 17 . 1 1 24 24 THR CA C 24 63.240 63.240 61.118 2.122 25284 7827 1 17 . 1 1 24 24 THR CB C 24 70.056 70.056 68.538 1.518 25284 7828 1 17 . 1 1 24 24 THR H H 24 8.152 8.152 7.730 0.422 25284 7829 1 17 . 1 1 25 25 ASP N N 25 124.096 124.096 124.757 -0.661 25284 7830 1 17 . 1 1 25 25 ASP HA H 25 4.718 4.718 4.364 0.354 25284 7831 1 17 . 1 1 25 25 ASP C C 25 176.223 176.223 175.267 0.956 25284 7832 1 17 . 1 1 25 25 ASP CA C 25 54.536 54.536 54.525 0.011 25284 7833 1 17 . 1 1 25 25 ASP CB C 25 41.163 41.163 41.461 -0.298 25284 7834 1 17 . 1 1 25 25 ASP H H 25 8.620 8.620 8.512 0.108 25284 7835 1 17 . 1 1 26 26 LEU N N 26 123.934 123.934 122.183 1.751 25284 7836 1 17 . 1 1 26 26 LEU HA H 26 4.365 4.365 4.456 -0.091 25284 7837 1 17 . 1 1 26 26 LEU C C 26 176.356 176.356 174.993 1.363 25284 7838 1 17 . 1 1 26 26 LEU CA C 26 54.374 54.374 54.401 -0.027 25284 7839 1 17 . 1 1 26 26 LEU CB C 26 41.235 41.235 42.559 -1.323 25284 7840 1 17 . 1 1 26 26 LEU H H 26 8.482 8.482 8.182 0.300 25284 7841 1 17 . 1 1 27 27 SER N N 27 115.330 115.330 116.186 -0.856 25284 7842 1 17 . 1 1 27 27 SER HA H 27 4.300 4.300 4.572 -0.272 25284 7843 1 17 . 1 1 27 27 SER C C 27 175.077 175.077 174.857 0.220 25284 7844 1 17 . 1 1 27 27 SER CA C 27 59.917 59.917 58.556 1.361 25284 7845 1 17 . 1 1 27 27 SER CB C 27 64.229 64.229 63.563 0.665 25284 7846 1 17 . 1 1 27 27 SER H H 27 8.214 8.214 7.657 0.557 25284 7847 1 17 . 1 1 28 28 GLY N N 28 111.630 111.630 115.584 -3.954 25284 7848 1 17 . 1 1 28 28 GLY C C 28 174.303 174.303 173.318 0.985 25284 7849 1 17 . 1 1 28 28 GLY CA C 28 45.500 45.500 44.856 0.644 25284 7850 1 17 . 1 1 28 28 GLY H H 28 8.592 8.592 8.604 -0.012 25284 7851 1 17 . 1 1 29 29 ASP N N 29 123.552 123.552 123.667 -0.115 25284 7852 1 17 . 1 1 29 29 ASP HA H 29 4.851 4.851 4.776 0.075 25284 7853 1 17 . 1 1 29 29 ASP C C 29 176.494 176.494 175.612 0.882 25284 7854 1 17 . 1 1 29 29 ASP CA C 29 54.312 54.312 53.641 0.671 25284 7855 1 17 . 1 1 29 29 ASP CB C 29 39.771 39.771 41.199 -1.428 25284 7856 1 17 . 1 1 29 29 ASP H H 29 8.690 8.690 8.498 0.192 25284 7857 1 17 . 1 1 30 30 PHE N N 30 122.578 122.578 121.174 1.404 25284 7858 1 17 . 1 1 30 30 PHE HA H 30 4.764 4.764 4.777 -0.013 25284 7859 1 17 . 1 1 30 30 PHE C C 30 175.529 175.529 174.844 0.685 25284 7860 1 17 . 1 1 30 30 PHE CA C 30 57.493 57.493 56.606 0.887 25284 7861 1 17 . 1 1 30 30 PHE CB C 30 40.639 40.639 39.179 1.460 25284 7862 1 17 . 1 1 30 30 PHE H H 30 8.076 8.076 8.221 -0.145 25284 7863 1 17 . 1 1 31 31 LEU N N 31 119.188 119.188 122.475 -3.287 25284 7864 1 17 . 1 1 31 31 LEU HA H 31 3.302 3.302 3.748 -0.446 25284 7865 1 17 . 1 1 31 31 LEU C C 31 176.503 176.503 177.042 -0.539 25284 7866 1 17 . 1 1 31 31 LEU CA C 31 57.940 57.940 56.600 1.340 25284 7867 1 17 . 1 1 31 31 LEU CB C 31 42.218 42.218 41.089 1.129 25284 7868 1 17 . 1 1 31 31 LEU H H 31 7.535 7.535 7.623 -0.088 25284 7869 1 17 . 1 1 32 32 ASP N N 32 112.101 112.101 113.314 -1.213 25284 7870 1 17 . 1 1 32 32 ASP HA H 32 5.047 5.047 4.480 0.567 25284 7871 1 17 . 1 1 32 32 ASP C C 32 176.064 176.064 175.063 1.001 25284 7872 1 17 . 1 1 32 32 ASP CA C 32 53.755 53.755 52.712 1.043 25284 7873 1 17 . 1 1 32 32 ASP CB C 32 41.824 41.824 41.397 0.427 25284 7874 1 17 . 1 1 32 32 ASP H H 32 8.087 8.087 8.255 -0.168 25284 7875 1 17 . 1 1 33 33 LEU N N 33 122.380 122.380 122.808 -0.428 25284 7876 1 17 . 1 1 33 33 LEU HA H 33 4.309 4.309 4.228 0.081 25284 7877 1 17 . 1 1 33 33 LEU C C 33 174.879 174.879 175.918 -1.039 25284 7878 1 17 . 1 1 33 33 LEU CA C 33 54.566 54.566 54.607 -0.041 25284 7879 1 17 . 1 1 33 33 LEU CB C 33 42.528 42.528 42.161 0.367 25284 7880 1 17 . 1 1 33 33 LEU H H 33 7.222 7.222 7.120 0.102 25284 7881 1 17 . 1 1 34 34 ARG N N 34 116.439 116.439 125.193 -8.754 25284 7882 1 17 . 1 1 34 34 ARG HA H 34 4.725 4.725 4.317 0.408 25284 7883 1 17 . 1 1 34 34 ARG C C 34 179.778 179.778 177.212 2.566 25284 7884 1 17 . 1 1 34 34 ARG CA C 34 55.536 55.536 56.542 -1.006 25284 7885 1 17 . 1 1 34 34 ARG CB C 34 30.173 30.173 30.306 -0.133 25284 7886 1 17 . 1 1 34 34 ARG H H 34 8.487 8.487 8.188 0.299 25284 7887 1 17 . 1 1 35 35 PHE N N 35 123.548 123.548 123.257 0.291 25284 7888 1 17 . 1 1 35 35 PHE HA H 35 4.385 4.385 4.083 0.302 25284 7889 1 17 . 1 1 35 35 PHE C C 35 178.776 178.776 177.836 0.940 25284 7890 1 17 . 1 1 35 35 PHE CA C 35 63.121 63.121 62.970 0.151 25284 7891 1 17 . 1 1 35 35 PHE CB C 35 37.967 37.967 38.621 -0.654 25284 7892 1 17 . 1 1 35 35 PHE H H 35 8.455 8.455 8.466 -0.011 25284 7893 1 17 . 1 1 36 36 GLU N N 36 117.380 117.380 116.832 0.548 25284 7894 1 17 . 1 1 36 36 GLU HA H 36 4.358 4.358 4.117 0.241 25284 7895 1 17 . 1 1 36 36 GLU C C 36 178.612 178.612 177.493 1.119 25284 7896 1 17 . 1 1 36 36 GLU CA C 36 59.145 59.145 58.300 0.845 25284 7897 1 17 . 1 1 36 36 GLU CB C 36 29.301 29.301 28.980 0.321 25284 7898 1 17 . 1 1 36 36 GLU H H 36 9.560 9.560 8.879 0.681 25284 7899 1 17 . 1 1 37 37 ASP N N 37 118.596 118.596 120.163 -1.567 25284 7900 1 17 . 1 1 37 37 ASP HA H 37 4.810 4.810 4.565 0.245 25284 7901 1 17 . 1 1 37 37 ASP C C 37 177.993 177.993 177.727 0.266 25284 7902 1 17 . 1 1 37 37 ASP CA C 37 56.474 56.474 56.131 0.343 25284 7903 1 17 . 1 1 37 37 ASP CB C 37 41.411 41.411 41.627 -0.216 25284 7904 1 17 . 1 1 37 37 ASP H H 37 7.546 7.546 7.680 -0.134 25284 7905 1 17 . 1 1 38 38 ILE N N 38 113.080 113.080 113.799 -0.719 25284 7906 1 17 . 1 1 38 38 ILE HA H 38 4.663 4.663 4.505 0.158 25284 7907 1 17 . 1 1 38 38 ILE C C 38 176.140 176.140 176.464 -0.324 25284 7908 1 17 . 1 1 38 38 ILE CA C 38 62.038 62.038 60.735 1.303 25284 7909 1 17 . 1 1 38 38 ILE CB C 38 38.755 38.755 37.611 1.145 25284 7910 1 17 . 1 1 38 38 ILE H H 38 7.725 7.725 7.513 0.212 25284 7911 1 17 . 1 1 39 39 GLY N N 39 107.376 107.376 108.301 -0.925 25284 7912 1 17 . 1 1 39 39 GLY C C 39 174.497 174.497 174.514 -0.017 25284 7913 1 17 . 1 1 39 39 GLY CA C 39 46.580 46.580 45.681 0.899 25284 7914 1 17 . 1 1 39 39 GLY H H 39 7.736 7.736 7.798 -0.062 25284 7915 1 17 . 1 1 40 40 TYR N N 40 121.883 121.883 121.127 0.756 25284 7916 1 17 . 1 1 40 40 TYR HA H 40 4.583 4.583 4.611 -0.028 25284 7917 1 17 . 1 1 40 40 TYR C C 40 174.479 174.479 175.007 -0.528 25284 7918 1 17 . 1 1 40 40 TYR CA C 40 58.153 58.153 57.922 0.230 25284 7919 1 17 . 1 1 40 40 TYR CB C 40 40.535 40.535 38.681 1.853 25284 7920 1 17 . 1 1 40 40 TYR H H 40 8.059 8.059 8.316 -0.257 25284 7921 1 17 . 1 1 41 41 ASP N N 41 124.021 124.021 124.362 -0.341 25284 7922 1 17 . 1 1 41 41 ASP HA H 41 4.739 4.739 4.706 0.033 25284 7923 1 17 . 1 1 41 41 ASP C C 41 175.831 175.831 177.051 -1.220 25284 7924 1 17 . 1 1 41 41 ASP CA C 41 52.669 52.669 54.711 -2.042 25284 7925 1 17 . 1 1 41 41 ASP CB C 41 42.015 42.015 42.331 -0.316 25284 7926 1 17 . 1 1 41 41 ASP H H 41 7.992 7.992 8.226 -0.234 25284 7927 1 17 . 1 1 42 42 SER N N 42 114.198 114.198 116.751 -2.553 25284 7928 1 17 . 1 1 42 42 SER HA H 42 4.272 4.272 4.151 0.121 25284 7929 1 17 . 1 1 42 42 SER C C 42 176.102 176.102 176.558 -0.456 25284 7930 1 17 . 1 1 42 42 SER CA C 42 60.657 60.657 61.749 -1.092 25284 7931 1 17 . 1 1 42 42 SER CB C 42 66.110 66.110 62.469 3.641 25284 7932 1 17 . 1 1 43 43 LEU N N 43 124.254 124.254 120.913 3.341 25284 7933 1 17 . 1 1 43 43 LEU HA H 43 4.269 4.269 3.991 0.278 25284 7934 1 17 . 1 1 43 43 LEU C C 43 179.140 179.140 179.101 0.039 25284 7935 1 17 . 1 1 43 43 LEU CA C 43 58.567 58.567 57.176 1.391 25284 7936 1 17 . 1 1 43 43 LEU CB C 43 41.178 41.178 41.289 -0.111 25284 7937 1 17 . 1 1 43 43 LEU H H 43 7.792 7.792 8.426 -0.634 25284 7938 1 17 . 1 1 44 44 ALA N N 44 123.473 123.473 121.308 2.165 25284 7939 1 17 . 1 1 44 44 ALA HA H 44 4.318 4.318 4.093 0.225 25284 7940 1 17 . 1 1 44 44 ALA C C 44 181.903 181.903 179.537 2.366 25284 7941 1 17 . 1 1 44 44 ALA CA C 44 55.068 55.068 54.577 0.491 25284 7942 1 17 . 1 1 44 44 ALA CB C 44 18.556 18.556 18.732 -0.176 25284 7943 1 17 . 1 1 44 44 ALA H H 44 8.140 8.140 7.114 1.026 25284 7944 1 17 . 1 1 45 45 LEU N N 45 121.524 121.524 121.406 0.118 25284 7945 1 17 . 1 1 45 45 LEU HA H 45 3.898 3.898 4.161 -0.263 25284 7946 1 17 . 1 1 45 45 LEU C C 45 179.040 179.040 178.421 0.619 25284 7947 1 17 . 1 1 45 45 LEU CA C 45 58.475 58.475 57.101 1.374 25284 7948 1 17 . 1 1 45 45 LEU CB C 45 41.780 41.780 41.409 0.371 25284 7949 1 17 . 1 1 45 45 LEU H H 45 8.442 8.442 8.038 0.404 25284 7950 1 17 . 1 1 46 46 MET N N 46 119.769 119.769 116.260 3.509 25284 7951 1 17 . 1 1 46 46 MET HA H 46 4.265 4.265 4.164 0.101 25284 7952 1 17 . 1 1 46 46 MET C C 46 180.609 180.609 177.680 2.929 25284 7953 1 17 . 1 1 46 46 MET CA C 46 58.853 58.853 58.293 0.560 25284 7954 1 17 . 1 1 46 46 MET CB C 46 32.119 32.119 31.221 0.897 25284 7955 1 17 . 1 1 46 46 MET H H 46 8.234 8.234 8.822 -0.588 25284 7956 1 17 . 1 1 47 47 GLU N N 47 121.097 121.097 120.683 0.414 25284 7957 1 17 . 1 1 47 47 GLU HA H 47 4.228 4.228 4.063 0.165 25284 7958 1 17 . 1 1 47 47 GLU C C 47 179.333 179.333 178.769 0.564 25284 7959 1 17 . 1 1 47 47 GLU CA C 47 59.644 59.644 59.691 -0.047 25284 7960 1 17 . 1 1 47 47 GLU CB C 47 28.977 28.977 29.319 -0.342 25284 7961 1 17 . 1 1 47 47 GLU H H 47 8.517 8.517 7.622 0.895 25284 7962 1 17 . 1 1 48 48 THR N N 48 118.834 118.834 117.591 1.243 25284 7963 1 17 . 1 1 48 48 THR HA H 48 3.961 3.961 4.026 -0.065 25284 7964 1 17 . 1 1 48 48 THR C C 48 176.348 176.348 176.700 -0.352 25284 7965 1 17 . 1 1 48 48 THR CA C 48 67.842 67.842 66.917 0.925 25284 7966 1 17 . 1 1 48 48 THR CB C 48 68.056 68.056 68.530 -0.474 25284 7967 1 17 . 1 1 48 48 THR H H 48 8.325 8.325 8.051 0.274 25284 7968 1 17 . 1 1 49 49 ALA N N 49 123.924 123.924 123.056 0.868 25284 7969 1 17 . 1 1 49 49 ALA HA H 49 3.926 3.926 4.043 -0.117 25284 7970 1 17 . 1 1 49 49 ALA C C 49 178.608 178.608 179.303 -0.695 25284 7971 1 17 . 1 1 49 49 ALA CA C 49 56.247 56.247 55.175 1.072 25284 7972 1 17 . 1 1 49 49 ALA CB C 49 17.569 17.569 18.099 -0.530 25284 7973 1 17 . 1 1 49 49 ALA H H 49 8.747 8.747 8.395 0.352 25284 7974 1 17 . 1 1 50 50 ALA N N 50 119.691 119.691 121.232 -1.541 25284 7975 1 17 . 1 1 50 50 ALA HA H 50 4.269 4.269 4.480 -0.211 25284 7976 1 17 . 1 1 50 50 ALA C C 50 181.310 181.310 179.426 1.884 25284 7977 1 17 . 1 1 50 50 ALA CA C 50 55.422 55.422 54.488 0.934 25284 7978 1 17 . 1 1 50 50 ALA CB C 50 18.171 18.171 18.481 -0.310 25284 7979 1 17 . 1 1 50 50 ALA H H 50 8.245 8.245 8.112 0.133 25284 7980 1 17 . 1 1 51 51 ARG N N 51 119.913 119.913 119.498 0.415 25284 7981 1 17 . 1 1 51 51 ARG HA H 51 4.247 4.247 4.079 0.168 25284 7982 1 17 . 1 1 51 51 ARG C C 51 179.808 179.808 178.772 1.036 25284 7983 1 17 . 1 1 51 51 ARG CA C 51 59.673 59.673 59.195 0.478 25284 7984 1 17 . 1 1 51 51 ARG CB C 51 30.539 30.539 30.012 0.527 25284 7985 1 17 . 1 1 51 51 ARG H H 51 8.129 8.129 8.183 -0.054 25284 7986 1 17 . 1 1 52 52 LEU N N 52 120.624 120.624 119.524 1.100 25284 7987 1 17 . 1 1 52 52 LEU HA H 52 4.319 4.319 4.122 0.197 25284 7988 1 17 . 1 1 52 52 LEU C C 52 179.192 179.192 179.047 0.145 25284 7989 1 17 . 1 1 52 52 LEU CA C 52 58.253 58.253 58.084 0.169 25284 7990 1 17 . 1 1 52 52 LEU CB C 52 42.812 42.812 41.605 1.207 25284 7991 1 17 . 1 1 52 52 LEU H H 52 8.423 8.423 8.083 0.340 25284 7992 1 17 . 1 1 53 53 GLU N N 53 119.779 119.779 120.284 -0.505 25284 7993 1 17 . 1 1 53 53 GLU HA H 53 4.108 4.108 4.036 0.072 25284 7994 1 17 . 1 1 53 53 GLU C C 53 179.388 179.388 179.486 -0.098 25284 7995 1 17 . 1 1 53 53 GLU CA C 53 60.211 60.211 60.070 0.141 25284 7996 1 17 . 1 1 53 53 GLU CB C 53 29.143 29.143 29.422 -0.279 25284 7997 1 17 . 1 1 53 53 GLU H H 53 8.974 8.974 8.707 0.267 25284 7998 1 17 . 1 1 54 54 SER N N 54 113.169 113.169 114.166 -0.997 25284 7999 1 17 . 1 1 54 54 SER HA H 54 4.384 4.384 4.386 -0.002 25284 8000 1 17 . 1 1 54 54 SER C C 54 176.953 176.953 175.708 1.245 25284 8001 1 17 . 1 1 54 54 SER CA C 54 61.279 61.279 61.540 -0.261 25284 8002 1 17 . 1 1 54 54 SER CB C 54 63.402 63.402 63.307 0.095 25284 8003 1 17 . 1 1 54 54 SER H H 54 8.037 8.037 7.981 0.056 25284 8004 1 17 . 1 1 55 55 ARG N N 55 120.851 120.851 120.446 0.405 25284 8005 1 17 . 1 1 55 55 ARG HA H 55 4.100 4.100 4.110 -0.010 25284 8006 1 17 . 1 1 55 55 ARG C C 55 177.905 177.905 177.651 0.254 25284 8007 1 17 . 1 1 55 55 ARG CA C 55 58.949 58.949 58.673 0.276 25284 8008 1 17 . 1 1 55 55 ARG CB C 55 30.896 30.896 30.782 0.114 25284 8009 1 17 . 1 1 55 55 ARG H H 55 8.099 8.099 7.904 0.195 25284 8010 1 17 . 1 1 56 56 TYR N N 56 113.669 113.669 115.617 -1.948 25284 8011 1 17 . 1 1 56 56 TYR HA H 56 4.687 4.687 4.608 0.079 25284 8012 1 17 . 1 1 56 56 TYR C C 56 176.069 176.069 175.903 0.166 25284 8013 1 17 . 1 1 56 56 TYR CA C 56 59.055 59.055 59.079 -0.024 25284 8014 1 17 . 1 1 56 56 TYR CB C 56 39.465 39.465 39.715 -0.249 25284 8015 1 17 . 1 1 56 56 TYR H H 56 8.158 8.158 8.282 -0.124 25284 8016 1 17 . 1 1 57 57 GLY N N 57 109.856 109.856 108.288 1.568 25284 8017 1 17 . 1 1 57 57 GLY C C 57 174.642 174.642 173.108 1.534 25284 8018 1 17 . 1 1 57 57 GLY CA C 57 47.476 47.476 44.934 2.542 25284 8019 1 17 . 1 1 57 57 GLY H H 57 7.982 7.982 8.045 -0.063 25284 8020 1 17 . 1 1 58 58 VAL N N 58 112.572 112.572 113.136 -0.564 25284 8021 1 17 . 1 1 58 58 VAL HA H 58 4.676 4.676 4.670 0.006 25284 8022 1 17 . 1 1 58 58 VAL C C 58 174.069 174.069 174.018 0.051 25284 8023 1 17 . 1 1 58 58 VAL CA C 58 59.313 59.313 59.043 0.270 25284 8024 1 17 . 1 1 58 58 VAL CB C 58 34.744 34.744 35.012 -0.268 25284 8025 1 17 . 1 1 58 58 VAL H H 58 7.497 7.497 7.499 -0.002 25284 8026 1 17 . 1 1 59 59 SER N N 59 117.179 117.179 115.245 1.934 25284 8027 1 17 . 1 1 59 59 SER HA H 59 4.846 4.846 5.013 -0.167 25284 8028 1 17 . 1 1 59 59 SER C C 59 173.699 173.699 173.446 0.253 25284 8029 1 17 . 1 1 59 59 SER CA C 59 57.401 57.401 58.288 -0.887 25284 8030 1 17 . 1 1 59 59 SER CB C 59 64.502 64.502 64.828 -0.326 25284 8031 1 17 . 1 1 59 59 SER H H 59 8.489 8.489 8.188 0.301 25284 8032 1 17 . 1 1 60 60 ILE N N 60 125.858 125.858 126.655 -0.797 25284 8033 1 17 . 1 1 60 60 ILE HA H 60 4.651 4.651 4.433 0.218 25284 8034 1 17 . 1 1 60 60 ILE CA C 60 57.694 57.694 58.167 -0.473 25284 8035 1 17 . 1 1 60 60 ILE CB C 60 40.500 40.500 39.395 1.105 25284 8036 1 17 . 1 1 60 60 ILE H H 60 8.222 8.222 9.100 -0.878 25284 8037 1 17 . 1 1 61 61 PRO HA H 61 4.530 4.530 4.591 -0.061 25284 8038 1 17 . 1 1 61 61 PRO C C 61 177.512 177.512 177.220 0.292 25284 8039 1 17 . 1 1 61 61 PRO CA C 61 63.561 63.561 62.340 1.220 25284 8040 1 17 . 1 1 61 61 PRO CB C 61 32.770 32.770 32.645 0.125 25284 8041 1 17 . 1 1 62 62 ASP N N 62 123.459 123.459 121.084 2.375 25284 8042 1 17 . 1 1 62 62 ASP HA H 62 4.449 4.449 4.216 0.233 25284 8043 1 17 . 1 1 62 62 ASP C C 62 177.284 177.284 177.350 -0.066 25284 8044 1 17 . 1 1 62 62 ASP CA C 62 57.112 57.112 57.656 -0.544 25284 8045 1 17 . 1 1 62 62 ASP CB C 62 40.740 40.740 40.365 0.375 25284 8046 1 17 . 1 1 62 62 ASP H H 62 8.831 8.831 8.677 0.154 25284 8047 1 17 . 1 1 63 63 ASP N N 63 116.794 116.794 117.468 -0.674 25284 8048 1 17 . 1 1 63 63 ASP HA H 63 4.529 4.529 4.420 0.109 25284 8049 1 17 . 1 1 63 63 ASP C C 63 177.294 177.294 177.345 -0.051 25284 8050 1 17 . 1 1 63 63 ASP CA C 63 54.956 54.956 56.210 -1.254 25284 8051 1 17 . 1 1 63 63 ASP CB C 63 39.687 39.687 40.092 -0.405 25284 8052 1 17 . 1 1 63 63 ASP H H 63 8.617 8.617 8.529 0.088 25284 8053 1 17 . 1 1 64 64 VAL N N 64 119.209 119.209 119.737 -0.528 25284 8054 1 17 . 1 1 64 64 VAL HA H 64 3.812 3.812 3.939 -0.127 25284 8055 1 17 . 1 1 64 64 VAL C C 64 177.556 177.556 176.948 0.608 25284 8056 1 17 . 1 1 64 64 VAL CA C 64 65.179 65.179 64.160 1.019 25284 8057 1 17 . 1 1 64 64 VAL CB C 64 32.413 32.413 32.021 0.392 25284 8058 1 17 . 1 1 64 64 VAL H H 64 7.407 7.407 7.369 0.038 25284 8059 1 17 . 1 1 65 65 ALA N N 65 122.418 122.418 122.721 -0.303 25284 8060 1 17 . 1 1 65 65 ALA HA H 65 3.987 3.987 4.040 -0.053 25284 8061 1 17 . 1 1 65 65 ALA C C 65 177.994 177.994 179.456 -1.462 25284 8062 1 17 . 1 1 65 65 ALA CA C 65 54.842 54.842 54.830 0.012 25284 8063 1 17 . 1 1 65 65 ALA CB C 65 18.522 18.522 18.430 0.092 25284 8064 1 17 . 1 1 65 65 ALA H H 65 8.246 8.246 7.690 0.556 25284 8065 1 17 . 1 1 66 66 GLY N N 66 100.378 100.378 105.695 -5.317 25284 8066 1 17 . 1 1 66 66 GLY C C 66 174.387 174.387 174.956 -0.569 25284 8067 1 17 . 1 1 66 66 GLY CA C 66 46.015 46.015 45.304 0.711 25284 8068 1 17 . 1 1 66 66 GLY H H 66 8.021 8.021 8.010 0.011 25284 8069 1 17 . 1 1 67 67 ARG N N 67 116.838 116.838 118.603 -1.765 25284 8070 1 17 . 1 1 67 67 ARG HA H 67 4.623 4.623 4.282 0.341 25284 8071 1 17 . 1 1 67 67 ARG C C 67 176.509 176.509 176.183 0.326 25284 8072 1 17 . 1 1 67 67 ARG CA C 67 55.883 55.883 56.074 -0.191 25284 8073 1 17 . 1 1 67 67 ARG CB C 67 31.911 31.911 30.305 1.606 25284 8074 1 17 . 1 1 67 67 ARG H H 67 7.483 7.483 8.106 -0.623 25284 8075 1 17 . 1 1 68 68 VAL N N 68 114.649 114.649 113.760 0.889 25284 8076 1 17 . 1 1 68 68 VAL HA H 68 4.468 4.468 4.173 0.295 25284 8077 1 17 . 1 1 68 68 VAL C C 68 175.192 175.192 174.757 0.435 25284 8078 1 17 . 1 1 68 68 VAL CA C 68 61.819 61.819 61.000 0.819 25284 8079 1 17 . 1 1 68 68 VAL CB C 68 33.624 33.624 33.684 -0.060 25284 8080 1 17 . 1 1 68 68 VAL H H 68 7.284 7.284 7.269 0.015 25284 8081 1 17 . 1 1 69 69 ASP N N 69 120.972 120.972 119.782 1.190 25284 8082 1 17 . 1 1 69 69 ASP HA H 69 5.264 5.264 5.078 0.186 25284 8083 1 17 . 1 1 69 69 ASP C C 69 176.970 176.970 175.693 1.277 25284 8084 1 17 . 1 1 69 69 ASP CA C 69 55.811 55.811 55.010 0.801 25284 8085 1 17 . 1 1 69 69 ASP CB C 69 44.441 44.441 44.076 0.365 25284 8086 1 17 . 1 1 69 69 ASP H H 69 9.167 9.167 9.493 -0.326 25284 8087 1 17 . 1 1 70 70 THR N N 70 108.311 108.311 110.485 -2.174 25284 8088 1 17 . 1 1 70 70 THR HA H 70 4.939 4.939 4.782 0.157 25284 8089 1 17 . 1 1 70 70 THR CA C 70 57.823 57.823 58.592 -0.769 25284 8090 1 17 . 1 1 70 70 THR CB C 70 71.412 71.412 70.242 1.170 25284 8091 1 17 . 1 1 70 70 THR H H 70 7.477 7.477 8.604 -1.127 25284 8092 1 17 . 1 1 71 71 PRO HA H 71 4.235 4.235 4.322 -0.087 25284 8093 1 17 . 1 1 71 71 PRO C C 71 177.422 177.422 177.788 -0.366 25284 8094 1 17 . 1 1 71 71 PRO CA C 71 66.002 66.002 65.920 0.082 25284 8095 1 17 . 1 1 71 71 PRO CB C 71 32.686 32.686 31.605 1.081 25284 8096 1 17 . 1 1 72 72 ARG N N 72 117.972 117.972 116.728 1.244 25284 8097 1 17 . 1 1 72 72 ARG HA H 72 3.609 3.609 3.923 -0.314 25284 8098 1 17 . 1 1 72 72 ARG C C 72 177.616 177.616 178.572 -0.956 25284 8099 1 17 . 1 1 72 72 ARG CA C 72 60.243 60.243 59.280 0.963 25284 8100 1 17 . 1 1 72 72 ARG CB C 72 30.524 30.524 29.232 1.292 25284 8101 1 17 . 1 1 72 72 ARG H H 72 9.016 9.016 7.701 1.315 25284 8102 1 17 . 1 1 73 73 GLU N N 73 116.790 116.790 120.567 -3.777 25284 8103 1 17 . 1 1 73 73 GLU HA H 73 4.242 4.242 4.090 0.152 25284 8104 1 17 . 1 1 73 73 GLU C C 73 180.200 180.200 179.013 1.187 25284 8105 1 17 . 1 1 73 73 GLU CA C 73 59.226 59.226 58.923 0.303 25284 8106 1 17 . 1 1 73 73 GLU CB C 73 30.069 30.069 29.434 0.635 25284 8107 1 17 . 1 1 73 73 GLU H H 73 7.838 7.838 7.890 -0.052 25284 8108 1 17 . 1 1 74 74 LEU N N 74 120.656 120.656 121.576 -0.920 25284 8109 1 17 . 1 1 74 74 LEU HA H 74 4.313 4.313 4.090 0.223 25284 8110 1 17 . 1 1 74 74 LEU C C 74 177.023 177.023 178.449 -1.426 25284 8111 1 17 . 1 1 74 74 LEU CA C 74 58.179 58.179 57.653 0.526 25284 8112 1 17 . 1 1 74 74 LEU CB C 74 42.292 42.292 41.665 0.627 25284 8113 1 17 . 1 1 74 74 LEU H H 74 7.703 7.703 7.477 0.226 25284 8114 1 17 . 1 1 75 75 LEU N N 75 121.434 121.434 119.702 1.732 25284 8115 1 17 . 1 1 75 75 LEU HA H 75 3.894 3.894 3.960 -0.066 25284 8116 1 17 . 1 1 75 75 LEU C C 75 178.169 178.169 177.927 0.242 25284 8117 1 17 . 1 1 75 75 LEU CA C 75 58.562 58.562 58.326 0.236 25284 8118 1 17 . 1 1 75 75 LEU CB C 75 42.408 42.408 41.619 0.789 25284 8119 1 17 . 1 1 75 75 LEU H H 75 8.743 8.743 8.463 0.280 25284 8120 1 17 . 1 1 76 76 ASP N N 76 117.849 117.849 119.270 -1.421 25284 8121 1 17 . 1 1 76 76 ASP HA H 76 4.488 4.488 4.314 0.174 25284 8122 1 17 . 1 1 76 76 ASP C C 76 180.127 180.127 178.438 1.689 25284 8123 1 17 . 1 1 76 76 ASP CA C 76 57.487 57.487 57.589 -0.102 25284 8124 1 17 . 1 1 76 76 ASP CB C 76 40.085 40.085 40.906 -0.821 25284 8125 1 17 . 1 1 76 76 ASP H H 76 8.711 8.711 7.682 1.029 25284 8126 1 17 . 1 1 77 77 LEU N N 77 123.252 123.252 120.662 2.590 25284 8127 1 17 . 1 1 77 77 LEU HA H 77 4.303 4.303 3.942 0.361 25284 8128 1 17 . 1 1 77 77 LEU C C 77 180.621 180.621 179.135 1.486 25284 8129 1 17 . 1 1 77 77 LEU CA C 77 58.439 58.439 57.996 0.443 25284 8130 1 17 . 1 1 77 77 LEU CB C 77 42.905 42.905 41.751 1.154 25284 8131 1 17 . 1 1 77 77 LEU H H 77 8.009 8.009 7.731 0.278 25284 8132 1 17 . 1 1 78 78 ILE N N 78 120.216 120.216 120.230 -0.014 25284 8133 1 17 . 1 1 78 78 ILE HA H 78 3.750 3.750 3.559 0.191 25284 8134 1 17 . 1 1 78 78 ILE C C 78 177.713 177.713 178.367 -0.654 25284 8135 1 17 . 1 1 78 78 ILE CA C 78 64.757 64.757 64.159 0.598 25284 8136 1 17 . 1 1 78 78 ILE CB C 78 37.402 37.402 36.359 1.043 25284 8137 1 17 . 1 1 78 78 ILE H H 78 8.294 8.294 8.226 0.068 25284 8138 1 17 . 1 1 79 79 ASN N N 79 118.191 118.191 118.182 0.009 25284 8139 1 17 . 1 1 79 79 ASN HA H 79 4.912 4.912 4.329 0.583 25284 8140 1 17 . 1 1 79 79 ASN C C 79 179.524 179.524 178.231 1.293 25284 8141 1 17 . 1 1 79 79 ASN CA C 79 55.473 55.473 56.121 -0.648 25284 8142 1 17 . 1 1 79 79 ASN CB C 79 37.331 37.331 37.937 -0.606 25284 8143 1 17 . 1 1 79 79 ASN H H 79 8.887 8.887 8.237 0.650 25284 8144 1 17 . 1 1 80 80 GLY N N 80 110.387 110.387 108.176 2.211 25284 8145 1 17 . 1 1 80 80 GLY C C 80 175.783 175.783 175.557 0.226 25284 8146 1 17 . 1 1 80 80 GLY CA C 80 47.166 47.166 46.924 0.242 25284 8147 1 17 . 1 1 80 80 GLY H H 80 8.436 8.436 8.399 0.037 25284 8148 1 17 . 1 1 81 81 ALA N N 81 124.420 124.420 123.862 0.558 25284 8149 1 17 . 1 1 81 81 ALA HA H 81 4.460 4.460 4.282 0.178 25284 8150 1 17 . 1 1 81 81 ALA C C 81 179.892 179.892 179.019 0.873 25284 8151 1 17 . 1 1 81 81 ALA CA C 81 54.389 54.389 54.347 0.042 25284 8152 1 17 . 1 1 81 81 ALA CB C 81 18.824 18.824 18.423 0.401 25284 8153 1 17 . 1 1 81 81 ALA H H 81 7.606 7.606 8.336 -0.730 25284 8154 1 17 . 1 1 82 82 LEU N N 82 120.239 120.239 119.443 0.796 25284 8155 1 17 . 1 1 82 82 LEU HA H 82 4.214 4.214 4.256 -0.042 25284 8156 1 17 . 1 1 82 82 LEU C C 82 178.884 178.884 178.422 0.462 25284 8157 1 17 . 1 1 82 82 LEU CA C 82 57.098 57.098 56.743 0.355 25284 8158 1 17 . 1 1 82 82 LEU CB C 82 42.739 42.739 41.841 0.898 25284 8159 1 17 . 1 1 82 82 LEU H H 82 8.285 8.285 7.841 0.444 25284 8160 1 17 . 1 1 83 83 ALA N N 83 121.614 121.614 122.216 -0.602 25284 8161 1 17 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.112 0.187 25284 8162 1 17 . 1 1 83 83 ALA C C 83 178.788 178.788 179.191 -0.403 25284 8163 1 17 . 1 1 83 83 ALA CA C 83 54.049 54.049 54.377 -0.328 25284 8164 1 17 . 1 1 83 83 ALA CB C 83 18.944 18.944 18.813 0.131 25284 8165 1 17 . 1 1 83 83 ALA H H 83 7.973 7.973 7.815 0.158 25284 8166 1 17 . 1 1 84 84 GLU N N 84 117.412 117.412 116.311 1.101 25284 8167 1 17 . 1 1 84 84 GLU HA H 84 4.385 4.385 4.296 0.089 25284 8168 1 17 . 1 1 84 84 GLU C C 84 176.406 176.406 176.318 0.088 25284 8169 1 17 . 1 1 84 84 GLU CA C 84 56.872 56.872 56.301 0.571 25284 8170 1 17 . 1 1 84 84 GLU CB C 84 29.773 29.773 30.131 -0.358 25284 8171 1 17 . 1 1 84 84 GLU H H 84 7.753 7.753 7.777 -0.024 25284 8172 1 17 . 1 1 85 85 ALA N N 85 124.256 124.256 121.213 3.043 25284 8173 1 17 . 1 1 85 85 ALA HA H 85 4.471 4.471 4.049 0.422 25284 8174 1 17 . 1 1 85 85 ALA C C 85 176.625 176.625 177.108 -0.483 25284 8175 1 17 . 1 1 85 85 ALA CA C 85 52.679 52.679 52.596 0.083 25284 8176 1 17 . 1 1 85 85 ALA CB C 85 19.702 19.702 16.903 2.799 25284 8177 1 17 . 1 1 85 85 ALA H H 85 7.832 7.832 7.485 0.347 25284 8178 1 18 . 1 1 2 2 ALA HA H 2 4.279 4.279 4.597 -0.318 25284 8179 1 18 . 1 1 2 2 ALA C C 2 173.785 173.785 177.493 -3.708 25284 8180 1 18 . 1 1 2 2 ALA CA C 2 52.136 52.136 51.785 0.351 25284 8181 1 18 . 1 1 2 2 ALA CB C 2 20.083 20.083 18.800 1.283 25284 8182 1 18 . 1 1 3 3 THR N N 3 117.799 117.799 119.909 -2.110 25284 8183 1 18 . 1 1 3 3 THR HA H 3 4.398 4.398 4.434 -0.036 25284 8184 1 18 . 1 1 3 3 THR C C 3 172.979 172.979 173.886 -0.907 25284 8185 1 18 . 1 1 3 3 THR CA C 3 62.907 62.907 61.813 1.094 25284 8186 1 18 . 1 1 3 3 THR CB C 3 70.082 70.082 67.735 2.347 25284 8187 1 18 . 1 1 3 3 THR H H 3 8.703 8.703 8.656 0.047 25284 8188 1 18 . 1 1 4 4 LEU N N 4 124.656 124.656 123.212 1.444 25284 8189 1 18 . 1 1 4 4 LEU HA H 4 4.373 4.373 4.440 -0.067 25284 8190 1 18 . 1 1 4 4 LEU C C 4 177.215 177.215 175.680 1.535 25284 8191 1 18 . 1 1 4 4 LEU CA C 4 54.852 54.852 53.979 0.873 25284 8192 1 18 . 1 1 4 4 LEU CB C 4 42.864 42.864 43.691 -0.827 25284 8193 1 18 . 1 1 4 4 LEU H H 4 8.155 8.155 7.598 0.557 25284 8194 1 18 . 1 1 5 5 LEU N N 5 124.772 124.772 128.180 -3.408 25284 8195 1 18 . 1 1 5 5 LEU HA H 5 4.530 4.530 4.407 0.123 25284 8196 1 18 . 1 1 5 5 LEU C C 5 177.915 177.915 176.563 1.352 25284 8197 1 18 . 1 1 5 5 LEU CA C 5 55.564 55.564 55.009 0.555 25284 8198 1 18 . 1 1 5 5 LEU CB C 5 42.806 42.806 42.187 0.619 25284 8199 1 18 . 1 1 5 5 LEU H H 5 9.421 9.421 8.617 0.804 25284 8200 1 18 . 1 1 6 6 THR N N 6 115.077 115.077 116.866 -1.789 25284 8201 1 18 . 1 1 6 6 THR HA H 6 4.745 4.745 4.600 0.145 25284 8202 1 18 . 1 1 6 6 THR C C 6 175.958 175.958 175.552 0.406 25284 8203 1 18 . 1 1 6 6 THR CA C 6 60.159 60.159 60.672 -0.513 25284 8204 1 18 . 1 1 6 6 THR CB C 6 72.442 72.442 70.484 1.958 25284 8205 1 18 . 1 1 6 6 THR H H 6 9.006 9.006 8.154 0.852 25284 8206 1 18 . 1 1 7 7 THR N N 7 115.895 115.895 115.816 0.079 25284 8207 1 18 . 1 1 7 7 THR HA H 7 3.867 3.867 4.116 -0.249 25284 8208 1 18 . 1 1 7 7 THR C C 7 176.622 176.622 176.570 0.052 25284 8209 1 18 . 1 1 7 7 THR CA C 7 67.331 67.331 67.026 0.305 25284 8210 1 18 . 1 1 7 7 THR CB C 7 68.496 68.496 68.280 0.216 25284 8211 1 18 . 1 1 7 7 THR H H 7 8.864 8.864 8.609 0.255 25284 8212 1 18 . 1 1 8 8 ASP N N 8 120.253 120.253 120.260 -0.007 25284 8213 1 18 . 1 1 8 8 ASP HA H 8 4.629 4.629 4.432 0.197 25284 8214 1 18 . 1 1 8 8 ASP C C 8 178.593 178.593 178.439 0.154 25284 8215 1 18 . 1 1 8 8 ASP CA C 8 57.740 57.740 58.590 -0.850 25284 8216 1 18 . 1 1 8 8 ASP CB C 8 41.273 41.273 40.312 0.961 25284 8217 1 18 . 1 1 8 8 ASP H H 8 8.289 8.289 8.666 -0.377 25284 8218 1 18 . 1 1 9 9 ASP N N 9 120.653 120.653 120.292 0.361 25284 8219 1 18 . 1 1 9 9 ASP HA H 9 4.560 4.560 4.542 0.018 25284 8220 1 18 . 1 1 9 9 ASP C C 9 179.465 179.465 178.427 1.038 25284 8221 1 18 . 1 1 9 9 ASP CA C 9 57.608 57.608 56.755 0.853 25284 8222 1 18 . 1 1 9 9 ASP CB C 9 41.559 41.559 41.387 0.172 25284 8223 1 18 . 1 1 9 9 ASP H H 9 7.916 7.916 7.547 0.369 25284 8224 1 18 . 1 1 10 10 LEU N N 10 121.585 121.585 121.471 0.114 25284 8225 1 18 . 1 1 10 10 LEU HA H 10 4.216 4.216 4.049 0.167 25284 8226 1 18 . 1 1 10 10 LEU C C 10 177.517 177.517 178.137 -0.620 25284 8227 1 18 . 1 1 10 10 LEU CA C 10 58.031 58.031 58.026 0.005 25284 8228 1 18 . 1 1 10 10 LEU CB C 10 42.146 42.146 42.015 0.131 25284 8229 1 18 . 1 1 10 10 LEU H H 10 8.086 8.086 8.273 -0.187 25284 8230 1 18 . 1 1 11 11 ARG N N 11 120.099 120.099 118.311 1.788 25284 8231 1 18 . 1 1 11 11 ARG HA H 11 3.514 3.514 3.505 0.009 25284 8232 1 18 . 1 1 11 11 ARG C C 11 177.769 177.769 178.084 -0.315 25284 8233 1 18 . 1 1 11 11 ARG CA C 11 60.715 60.715 60.175 0.540 25284 8234 1 18 . 1 1 11 11 ARG CB C 11 30.775 30.775 29.965 0.810 25284 8235 1 18 . 1 1 11 11 ARG H H 11 8.852 8.852 8.219 0.633 25284 8236 1 18 . 1 1 12 12 ARG N N 12 115.840 115.840 118.504 -2.664 25284 8237 1 18 . 1 1 12 12 ARG HA H 12 4.032 4.032 3.980 0.052 25284 8238 1 18 . 1 1 12 12 ARG C C 12 178.492 178.492 178.450 0.042 25284 8239 1 18 . 1 1 12 12 ARG CA C 12 59.592 59.592 59.144 0.448 25284 8240 1 18 . 1 1 12 12 ARG CB C 12 30.583 30.583 29.854 0.729 25284 8241 1 18 . 1 1 12 12 ARG H H 12 7.996 7.996 7.435 0.561 25284 8242 1 18 . 1 1 13 13 ALA N N 13 120.184 120.184 122.376 -2.192 25284 8243 1 18 . 1 1 13 13 ALA HA H 13 4.401 4.401 4.214 0.187 25284 8244 1 18 . 1 1 13 13 ALA C C 13 180.114 180.114 179.895 0.219 25284 8245 1 18 . 1 1 13 13 ALA CA C 13 54.938 54.938 54.711 0.227 25284 8246 1 18 . 1 1 13 13 ALA CB C 13 18.756 18.756 18.683 0.073 25284 8247 1 18 . 1 1 13 13 ALA H H 13 7.705 7.705 7.544 0.161 25284 8248 1 18 . 1 1 14 14 LEU N N 14 119.427 119.427 120.240 -0.813 25284 8249 1 18 . 1 1 14 14 LEU HA H 14 4.424 4.424 4.155 0.269 25284 8250 1 18 . 1 1 14 14 LEU C C 14 179.766 179.766 178.925 0.841 25284 8251 1 18 . 1 1 14 14 LEU CA C 14 57.568 57.568 58.234 -0.666 25284 8252 1 18 . 1 1 14 14 LEU CB C 14 42.039 42.039 42.047 -0.008 25284 8253 1 18 . 1 1 14 14 LEU H H 14 8.424 8.424 8.480 -0.056 25284 8254 1 18 . 1 1 15 15 VAL N N 15 121.004 121.004 119.169 1.835 25284 8255 1 18 . 1 1 15 15 VAL HA H 15 3.920 3.920 3.626 0.294 25284 8256 1 18 . 1 1 15 15 VAL C C 15 179.014 179.014 178.525 0.489 25284 8257 1 18 . 1 1 15 15 VAL CA C 15 66.259 66.259 67.145 -0.886 25284 8258 1 18 . 1 1 15 15 VAL CB C 15 32.137 32.137 31.694 0.443 25284 8259 1 18 . 1 1 15 15 VAL H H 15 8.519 8.519 7.772 0.747 25284 8260 1 18 . 1 1 16 16 GLU N N 16 119.984 119.984 118.192 1.792 25284 8261 1 18 . 1 1 16 16 GLU HA H 16 4.206 4.206 4.003 0.203 25284 8262 1 18 . 1 1 16 16 GLU C C 16 178.547 178.547 178.846 -0.299 25284 8263 1 18 . 1 1 16 16 GLU CA C 16 59.042 59.042 59.005 0.037 25284 8264 1 18 . 1 1 16 16 GLU CB C 16 29.692 29.692 29.513 0.179 25284 8265 1 18 . 1 1 16 16 GLU H H 16 8.218 8.218 8.188 0.030 25284 8266 1 18 . 1 1 17 17 SER N N 17 113.928 113.928 114.500 -0.572 25284 8267 1 18 . 1 1 17 17 SER HA H 17 4.577 4.577 4.306 0.271 25284 8268 1 18 . 1 1 17 17 SER C C 17 174.273 174.273 174.638 -0.365 25284 8269 1 18 . 1 1 17 17 SER CA C 17 59.940 59.940 60.308 -0.368 25284 8270 1 18 . 1 1 17 17 SER CB C 17 64.378 64.378 63.235 1.143 25284 8271 1 18 . 1 1 17 17 SER H H 17 7.798 7.798 7.984 -0.186 25284 8272 1 18 . 1 1 18 18 ALA N N 18 123.357 123.357 122.585 0.772 25284 8273 1 18 . 1 1 18 18 ALA HA H 18 4.347 4.347 4.027 0.320 25284 8274 1 18 . 1 1 18 18 ALA C C 18 178.292 178.292 178.173 0.119 25284 8275 1 18 . 1 1 18 18 ALA CA C 18 52.991 52.991 52.843 0.149 25284 8276 1 18 . 1 1 18 18 ALA CB C 18 19.965 19.965 19.140 0.825 25284 8277 1 18 . 1 1 18 18 ALA H H 18 7.813 7.813 7.448 0.365 25284 8278 1 18 . 1 1 19 19 GLY N N 19 107.711 107.711 108.179 -0.468 25284 8279 1 18 . 1 1 19 19 GLY C C 19 174.440 174.440 174.302 0.138 25284 8280 1 18 . 1 1 19 19 GLY CA C 19 45.650 45.650 45.109 0.541 25284 8281 1 18 . 1 1 19 19 GLY H H 19 8.256 8.256 7.859 0.397 25284 8282 1 18 . 1 1 20 20 GLU N N 20 120.763 120.763 121.927 -1.164 25284 8283 1 18 . 1 1 20 20 GLU HA H 20 4.477 4.477 4.516 -0.039 25284 8284 1 18 . 1 1 20 20 GLU C C 20 176.905 176.905 176.942 -0.037 25284 8285 1 18 . 1 1 20 20 GLU CA C 20 56.896 56.896 55.685 1.211 25284 8286 1 18 . 1 1 20 20 GLU CB C 20 30.160 30.160 29.656 0.504 25284 8287 1 18 . 1 1 20 20 GLU H H 20 8.508 8.508 8.655 -0.147 25284 8288 1 18 . 1 1 21 21 THR N N 21 114.316 114.316 117.527 -3.211 25284 8289 1 18 . 1 1 21 21 THR HA H 21 4.529 4.529 4.130 0.399 25284 8290 1 18 . 1 1 21 21 THR C C 21 174.564 174.564 173.678 0.886 25284 8291 1 18 . 1 1 21 21 THR CA C 21 61.942 61.942 62.035 -0.093 25284 8292 1 18 . 1 1 21 21 THR CB C 21 70.323 70.323 67.887 2.436 25284 8293 1 18 . 1 1 21 21 THR H H 21 8.258 8.258 7.750 0.508 25284 8294 1 18 . 1 1 22 22 ASP N N 22 122.479 122.479 122.295 0.184 25284 8295 1 18 . 1 1 22 22 ASP HA H 22 4.728 4.728 4.401 0.327 25284 8296 1 18 . 1 1 22 22 ASP C C 22 176.913 176.913 175.803 1.110 25284 8297 1 18 . 1 1 22 22 ASP CA C 22 54.806 54.806 54.912 -0.106 25284 8298 1 18 . 1 1 22 22 ASP CB C 22 41.144 41.144 41.685 -0.541 25284 8299 1 18 . 1 1 22 22 ASP H H 22 8.506 8.506 8.024 0.482 25284 8300 1 18 . 1 1 23 23 GLY N N 23 109.608 109.608 110.797 -1.189 25284 8301 1 18 . 1 1 23 23 GLY C C 23 174.806 174.806 174.472 0.334 25284 8302 1 18 . 1 1 23 23 GLY CA C 23 45.969 45.969 45.231 0.738 25284 8303 1 18 . 1 1 23 23 GLY H H 23 8.503 8.503 8.481 0.022 25284 8304 1 18 . 1 1 24 24 THR N N 24 116.205 116.205 118.726 -2.521 25284 8305 1 18 . 1 1 24 24 THR HA H 24 4.333 4.333 4.434 -0.101 25284 8306 1 18 . 1 1 24 24 THR C C 24 174.247 174.247 174.120 0.127 25284 8307 1 18 . 1 1 24 24 THR CA C 24 63.240 63.240 61.287 1.953 25284 8308 1 18 . 1 1 24 24 THR CB C 24 70.056 70.056 70.394 -0.338 25284 8309 1 18 . 1 1 24 24 THR H H 24 8.152 8.152 7.803 0.349 25284 8310 1 18 . 1 1 25 25 ASP N N 25 124.096 124.096 128.385 -4.289 25284 8311 1 18 . 1 1 25 25 ASP HA H 25 4.718 4.718 4.554 0.164 25284 8312 1 18 . 1 1 25 25 ASP C C 25 176.223 176.223 175.906 0.317 25284 8313 1 18 . 1 1 25 25 ASP CA C 25 54.536 54.536 54.580 -0.044 25284 8314 1 18 . 1 1 25 25 ASP CB C 25 41.163 41.163 41.211 -0.048 25284 8315 1 18 . 1 1 25 25 ASP H H 25 8.620 8.620 8.626 -0.006 25284 8316 1 18 . 1 1 26 26 LEU N N 26 123.934 123.934 125.733 -1.799 25284 8317 1 18 . 1 1 26 26 LEU HA H 26 4.365 4.365 4.590 -0.225 25284 8318 1 18 . 1 1 26 26 LEU C C 26 176.356 176.356 176.475 -0.119 25284 8319 1 18 . 1 1 26 26 LEU CA C 26 54.374 54.374 53.756 0.618 25284 8320 1 18 . 1 1 26 26 LEU CB C 26 41.235 41.235 41.867 -0.632 25284 8321 1 18 . 1 1 26 26 LEU H H 26 8.482 8.482 8.373 0.109 25284 8322 1 18 . 1 1 27 27 SER N N 27 115.330 115.330 114.531 0.799 25284 8323 1 18 . 1 1 27 27 SER HA H 27 4.300 4.300 4.470 -0.170 25284 8324 1 18 . 1 1 27 27 SER C C 27 175.077 175.077 175.014 0.063 25284 8325 1 18 . 1 1 27 27 SER CA C 27 59.917 59.917 58.495 1.422 25284 8326 1 18 . 1 1 27 27 SER CB C 27 64.229 64.229 63.802 0.427 25284 8327 1 18 . 1 1 27 27 SER H H 27 8.214 8.214 7.992 0.222 25284 8328 1 18 . 1 1 28 28 GLY N N 28 111.630 111.630 109.727 1.903 25284 8329 1 18 . 1 1 28 28 GLY C C 28 174.303 174.303 173.008 1.295 25284 8330 1 18 . 1 1 28 28 GLY CA C 28 45.500 45.500 45.343 0.157 25284 8331 1 18 . 1 1 28 28 GLY H H 28 8.592 8.592 7.492 1.100 25284 8332 1 18 . 1 1 29 29 ASP N N 29 123.552 123.552 122.501 1.051 25284 8333 1 18 . 1 1 29 29 ASP HA H 29 4.851 4.851 4.253 0.598 25284 8334 1 18 . 1 1 29 29 ASP C C 29 176.494 176.494 176.958 -0.464 25284 8335 1 18 . 1 1 29 29 ASP CA C 29 54.312 54.312 55.655 -1.343 25284 8336 1 18 . 1 1 29 29 ASP CB C 29 39.771 39.771 39.913 -0.142 25284 8337 1 18 . 1 1 29 29 ASP H H 29 8.690 8.690 8.937 -0.247 25284 8338 1 18 . 1 1 30 30 PHE N N 30 122.578 122.578 114.975 7.603 25284 8339 1 18 . 1 1 30 30 PHE HA H 30 4.764 4.764 4.445 0.319 25284 8340 1 18 . 1 1 30 30 PHE C C 30 175.529 175.529 176.686 -1.157 25284 8341 1 18 . 1 1 30 30 PHE CA C 30 57.493 57.493 57.955 -0.462 25284 8342 1 18 . 1 1 30 30 PHE CB C 30 40.639 40.639 38.625 2.014 25284 8343 1 18 . 1 1 30 30 PHE H H 30 8.076 8.076 8.414 -0.338 25284 8344 1 18 . 1 1 31 31 LEU N N 31 119.188 119.188 121.507 -2.319 25284 8345 1 18 . 1 1 31 31 LEU HA H 31 3.302 3.302 3.408 -0.106 25284 8346 1 18 . 1 1 31 31 LEU C C 31 176.503 176.503 176.121 0.382 25284 8347 1 18 . 1 1 31 31 LEU CA C 31 57.940 57.940 57.044 0.896 25284 8348 1 18 . 1 1 31 31 LEU CB C 31 42.218 42.218 41.591 0.627 25284 8349 1 18 . 1 1 31 31 LEU H H 31 7.535 7.535 7.442 0.093 25284 8350 1 18 . 1 1 32 32 ASP N N 32 112.101 112.101 115.450 -3.349 25284 8351 1 18 . 1 1 32 32 ASP HA H 32 5.047 5.047 4.639 0.408 25284 8352 1 18 . 1 1 32 32 ASP C C 32 176.064 176.064 174.831 1.233 25284 8353 1 18 . 1 1 32 32 ASP CA C 32 53.755 53.755 53.712 0.043 25284 8354 1 18 . 1 1 32 32 ASP CB C 32 41.824 41.824 41.675 0.149 25284 8355 1 18 . 1 1 32 32 ASP H H 32 8.087 8.087 7.789 0.298 25284 8356 1 18 . 1 1 33 33 LEU N N 33 122.380 122.380 122.374 0.006 25284 8357 1 18 . 1 1 33 33 LEU HA H 33 4.309 4.309 4.361 -0.052 25284 8358 1 18 . 1 1 33 33 LEU C C 33 174.879 174.879 175.669 -0.790 25284 8359 1 18 . 1 1 33 33 LEU CA C 33 54.566 54.566 54.222 0.344 25284 8360 1 18 . 1 1 33 33 LEU CB C 33 42.528 42.528 43.115 -0.587 25284 8361 1 18 . 1 1 33 33 LEU H H 33 7.222 7.222 7.380 -0.158 25284 8362 1 18 . 1 1 34 34 ARG N N 34 116.439 116.439 123.883 -7.444 25284 8363 1 18 . 1 1 34 34 ARG HA H 34 4.725 4.725 4.347 0.378 25284 8364 1 18 . 1 1 34 34 ARG C C 34 179.778 179.778 177.601 2.177 25284 8365 1 18 . 1 1 34 34 ARG CA C 34 55.536 55.536 55.758 -0.222 25284 8366 1 18 . 1 1 34 34 ARG CB C 34 30.173 30.173 30.713 -0.540 25284 8367 1 18 . 1 1 34 34 ARG H H 34 8.487 8.487 8.348 0.139 25284 8368 1 18 . 1 1 35 35 PHE N N 35 123.548 123.548 121.660 1.888 25284 8369 1 18 . 1 1 35 35 PHE HA H 35 4.385 4.385 4.090 0.295 25284 8370 1 18 . 1 1 35 35 PHE C C 35 178.776 178.776 177.688 1.088 25284 8371 1 18 . 1 1 35 35 PHE CA C 35 63.121 63.121 61.725 1.396 25284 8372 1 18 . 1 1 35 35 PHE CB C 35 37.967 37.967 38.181 -0.214 25284 8373 1 18 . 1 1 35 35 PHE H H 35 8.455 8.455 8.875 -0.420 25284 8374 1 18 . 1 1 36 36 GLU N N 36 117.380 117.380 118.875 -1.495 25284 8375 1 18 . 1 1 36 36 GLU HA H 36 4.358 4.358 4.115 0.243 25284 8376 1 18 . 1 1 36 36 GLU C C 36 178.612 178.612 178.439 0.173 25284 8377 1 18 . 1 1 36 36 GLU CA C 36 59.145 59.145 59.437 -0.291 25284 8378 1 18 . 1 1 36 36 GLU CB C 36 29.301 29.301 28.774 0.527 25284 8379 1 18 . 1 1 36 36 GLU H H 36 9.560 9.560 8.683 0.877 25284 8380 1 18 . 1 1 37 37 ASP N N 37 118.596 118.596 119.073 -0.477 25284 8381 1 18 . 1 1 37 37 ASP HA H 37 4.810 4.810 4.459 0.351 25284 8382 1 18 . 1 1 37 37 ASP C C 37 177.993 177.993 178.262 -0.269 25284 8383 1 18 . 1 1 37 37 ASP CA C 37 56.474 56.474 56.632 -0.158 25284 8384 1 18 . 1 1 37 37 ASP CB C 37 41.411 41.411 40.876 0.535 25284 8385 1 18 . 1 1 37 37 ASP H H 37 7.546 7.546 7.493 0.053 25284 8386 1 18 . 1 1 38 38 ILE N N 38 113.080 113.080 111.621 1.459 25284 8387 1 18 . 1 1 38 38 ILE HA H 38 4.663 4.663 4.280 0.383 25284 8388 1 18 . 1 1 38 38 ILE C C 38 176.140 176.140 176.463 -0.323 25284 8389 1 18 . 1 1 38 38 ILE CA C 38 62.038 62.038 61.166 0.872 25284 8390 1 18 . 1 1 38 38 ILE CB C 38 38.755 38.755 37.379 1.376 25284 8391 1 18 . 1 1 38 38 ILE H H 38 7.725 7.725 7.787 -0.062 25284 8392 1 18 . 1 1 39 39 GLY N N 39 107.376 107.376 109.034 -1.658 25284 8393 1 18 . 1 1 39 39 GLY C C 39 174.497 174.497 174.694 -0.197 25284 8394 1 18 . 1 1 39 39 GLY CA C 39 46.580 46.580 46.025 0.555 25284 8395 1 18 . 1 1 39 39 GLY H H 39 7.736 7.736 7.508 0.228 25284 8396 1 18 . 1 1 40 40 TYR N N 40 121.883 121.883 120.583 1.300 25284 8397 1 18 . 1 1 40 40 TYR HA H 40 4.583 4.583 4.420 0.163 25284 8398 1 18 . 1 1 40 40 TYR C C 40 174.479 174.479 176.154 -1.675 25284 8399 1 18 . 1 1 40 40 TYR CA C 40 58.153 58.153 58.004 0.149 25284 8400 1 18 . 1 1 40 40 TYR CB C 40 40.535 40.535 38.349 2.186 25284 8401 1 18 . 1 1 40 40 TYR H H 40 8.059 8.059 8.614 -0.555 25284 8402 1 18 . 1 1 41 41 ASP N N 41 124.021 124.021 123.923 0.098 25284 8403 1 18 . 1 1 41 41 ASP HA H 41 4.739 4.739 4.657 0.082 25284 8404 1 18 . 1 1 41 41 ASP C C 41 175.831 175.831 177.406 -1.575 25284 8405 1 18 . 1 1 41 41 ASP CA C 41 52.669 52.669 54.059 -1.390 25284 8406 1 18 . 1 1 41 41 ASP CB C 41 42.015 42.015 43.258 -1.243 25284 8407 1 18 . 1 1 41 41 ASP H H 41 7.992 7.992 8.362 -0.370 25284 8408 1 18 . 1 1 42 42 SER N N 42 114.198 114.198 117.020 -2.822 25284 8409 1 18 . 1 1 42 42 SER HA H 42 4.272 4.272 4.325 -0.053 25284 8410 1 18 . 1 1 42 42 SER C C 42 176.102 176.102 176.916 -0.814 25284 8411 1 18 . 1 1 42 42 SER CA C 42 60.657 60.657 60.804 -0.147 25284 8412 1 18 . 1 1 42 42 SER CB C 42 66.110 66.110 63.183 2.927 25284 8413 1 18 . 1 1 43 43 LEU N N 43 124.254 124.254 122.680 1.574 25284 8414 1 18 . 1 1 43 43 LEU HA H 43 4.269 4.269 4.114 0.155 25284 8415 1 18 . 1 1 43 43 LEU C C 43 179.140 179.140 178.438 0.702 25284 8416 1 18 . 1 1 43 43 LEU CA C 43 58.567 58.567 57.678 0.889 25284 8417 1 18 . 1 1 43 43 LEU CB C 43 41.178 41.178 41.500 -0.322 25284 8418 1 18 . 1 1 43 43 LEU H H 43 7.792 7.792 8.850 -1.058 25284 8419 1 18 . 1 1 44 44 ALA N N 44 123.473 123.473 121.894 1.579 25284 8420 1 18 . 1 1 44 44 ALA HA H 44 4.318 4.318 3.986 0.332 25284 8421 1 18 . 1 1 44 44 ALA C C 44 181.903 181.903 179.860 2.043 25284 8422 1 18 . 1 1 44 44 ALA CA C 44 55.068 55.068 54.834 0.234 25284 8423 1 18 . 1 1 44 44 ALA CB C 44 18.556 18.556 18.232 0.324 25284 8424 1 18 . 1 1 44 44 ALA H H 44 8.140 8.140 7.770 0.370 25284 8425 1 18 . 1 1 45 45 LEU N N 45 121.524 121.524 120.136 1.388 25284 8426 1 18 . 1 1 45 45 LEU HA H 45 3.898 3.898 4.011 -0.113 25284 8427 1 18 . 1 1 45 45 LEU C C 45 179.040 179.040 178.530 0.510 25284 8428 1 18 . 1 1 45 45 LEU CA C 45 58.475 58.475 57.882 0.593 25284 8429 1 18 . 1 1 45 45 LEU CB C 45 41.780 41.780 41.014 0.766 25284 8430 1 18 . 1 1 45 45 LEU H H 45 8.442 8.442 7.724 0.718 25284 8431 1 18 . 1 1 46 46 MET N N 46 119.769 119.769 118.126 1.643 25284 8432 1 18 . 1 1 46 46 MET HA H 46 4.265 4.265 3.937 0.328 25284 8433 1 18 . 1 1 46 46 MET C C 46 180.609 180.609 178.759 1.850 25284 8434 1 18 . 1 1 46 46 MET CA C 46 58.853 58.853 59.934 -1.081 25284 8435 1 18 . 1 1 46 46 MET CB C 46 32.119 32.119 32.079 0.040 25284 8436 1 18 . 1 1 46 46 MET H H 46 8.234 8.234 7.595 0.639 25284 8437 1 18 . 1 1 47 47 GLU N N 47 121.097 121.097 118.525 2.572 25284 8438 1 18 . 1 1 47 47 GLU HA H 47 4.228 4.228 3.907 0.321 25284 8439 1 18 . 1 1 47 47 GLU C C 47 179.333 179.333 179.153 0.180 25284 8440 1 18 . 1 1 47 47 GLU CA C 47 59.644 59.644 59.706 -0.062 25284 8441 1 18 . 1 1 47 47 GLU CB C 47 28.977 28.977 29.414 -0.437 25284 8442 1 18 . 1 1 47 47 GLU H H 47 8.517 8.517 8.755 -0.238 25284 8443 1 18 . 1 1 48 48 THR N N 48 118.834 118.834 116.606 2.228 25284 8444 1 18 . 1 1 48 48 THR HA H 48 3.961 3.961 4.089 -0.128 25284 8445 1 18 . 1 1 48 48 THR C C 48 176.348 176.348 176.290 0.058 25284 8446 1 18 . 1 1 48 48 THR CA C 48 67.842 67.842 66.612 1.230 25284 8447 1 18 . 1 1 48 48 THR CB C 48 68.056 68.056 68.718 -0.662 25284 8448 1 18 . 1 1 48 48 THR H H 48 8.325 8.325 7.964 0.361 25284 8449 1 18 . 1 1 49 49 ALA N N 49 123.924 123.924 123.053 0.871 25284 8450 1 18 . 1 1 49 49 ALA HA H 49 3.926 3.926 4.031 -0.105 25284 8451 1 18 . 1 1 49 49 ALA C C 49 178.608 178.608 179.405 -0.797 25284 8452 1 18 . 1 1 49 49 ALA CA C 49 56.247 56.247 55.042 1.204 25284 8453 1 18 . 1 1 49 49 ALA CB C 49 17.569 17.569 18.100 -0.531 25284 8454 1 18 . 1 1 49 49 ALA H H 49 8.747 8.747 8.070 0.677 25284 8455 1 18 . 1 1 50 50 ALA N N 50 119.691 119.691 120.736 -1.045 25284 8456 1 18 . 1 1 50 50 ALA HA H 50 4.269 4.269 4.370 -0.102 25284 8457 1 18 . 1 1 50 50 ALA C C 50 181.310 181.310 179.265 2.045 25284 8458 1 18 . 1 1 50 50 ALA CA C 50 55.422 55.422 54.631 0.791 25284 8459 1 18 . 1 1 50 50 ALA CB C 50 18.171 18.171 18.450 -0.279 25284 8460 1 18 . 1 1 50 50 ALA H H 50 8.245 8.245 8.718 -0.473 25284 8461 1 18 . 1 1 51 51 ARG N N 51 119.913 119.913 118.790 1.123 25284 8462 1 18 . 1 1 51 51 ARG HA H 51 4.247 4.247 4.160 0.087 25284 8463 1 18 . 1 1 51 51 ARG C C 51 179.808 179.808 178.652 1.156 25284 8464 1 18 . 1 1 51 51 ARG CA C 51 59.673 59.673 58.604 1.069 25284 8465 1 18 . 1 1 51 51 ARG CB C 51 30.539 30.539 29.868 0.671 25284 8466 1 18 . 1 1 51 51 ARG H H 51 8.129 8.129 7.611 0.518 25284 8467 1 18 . 1 1 52 52 LEU N N 52 120.624 120.624 119.417 1.207 25284 8468 1 18 . 1 1 52 52 LEU HA H 52 4.319 4.319 4.152 0.167 25284 8469 1 18 . 1 1 52 52 LEU C C 52 179.192 179.192 178.881 0.311 25284 8470 1 18 . 1 1 52 52 LEU CA C 52 58.253 58.253 57.866 0.387 25284 8471 1 18 . 1 1 52 52 LEU CB C 52 42.812 42.812 41.560 1.252 25284 8472 1 18 . 1 1 52 52 LEU H H 52 8.423 8.423 7.527 0.896 25284 8473 1 18 . 1 1 53 53 GLU N N 53 119.779 119.779 120.191 -0.412 25284 8474 1 18 . 1 1 53 53 GLU HA H 53 4.108 4.108 4.085 0.023 25284 8475 1 18 . 1 1 53 53 GLU C C 53 179.388 179.388 179.654 -0.266 25284 8476 1 18 . 1 1 53 53 GLU CA C 53 60.211 60.211 59.755 0.455 25284 8477 1 18 . 1 1 53 53 GLU CB C 53 29.143 29.143 29.282 -0.139 25284 8478 1 18 . 1 1 53 53 GLU H H 53 8.974 8.974 8.743 0.231 25284 8479 1 18 . 1 1 54 54 SER N N 54 113.169 113.169 115.195 -2.026 25284 8480 1 18 . 1 1 54 54 SER HA H 54 4.384 4.384 4.275 0.109 25284 8481 1 18 . 1 1 54 54 SER C C 54 176.953 176.953 175.740 1.213 25284 8482 1 18 . 1 1 54 54 SER CA C 54 61.279 61.279 61.355 -0.076 25284 8483 1 18 . 1 1 54 54 SER CB C 54 63.402 63.402 62.909 0.493 25284 8484 1 18 . 1 1 54 54 SER H H 54 8.037 8.037 8.049 -0.012 25284 8485 1 18 . 1 1 55 55 ARG N N 55 120.851 120.851 121.157 -0.306 25284 8486 1 18 . 1 1 55 55 ARG HA H 55 4.100 4.100 4.208 -0.108 25284 8487 1 18 . 1 1 55 55 ARG C C 55 177.905 177.905 178.624 -0.719 25284 8488 1 18 . 1 1 55 55 ARG CA C 55 58.949 58.949 58.154 0.795 25284 8489 1 18 . 1 1 55 55 ARG CB C 55 30.896 30.896 30.845 0.051 25284 8490 1 18 . 1 1 55 55 ARG H H 55 8.099 8.099 7.450 0.649 25284 8491 1 18 . 1 1 56 56 TYR N N 56 113.669 113.669 116.236 -2.567 25284 8492 1 18 . 1 1 56 56 TYR HA H 56 4.687 4.687 4.418 0.269 25284 8493 1 18 . 1 1 56 56 TYR C C 56 176.069 176.069 176.630 -0.561 25284 8494 1 18 . 1 1 56 56 TYR CA C 56 59.055 59.055 59.106 -0.051 25284 8495 1 18 . 1 1 56 56 TYR CB C 56 39.465 39.465 39.334 0.131 25284 8496 1 18 . 1 1 56 56 TYR H H 56 8.158 8.158 8.451 -0.293 25284 8497 1 18 . 1 1 57 57 GLY N N 57 109.856 109.856 107.645 2.211 25284 8498 1 18 . 1 1 57 57 GLY C C 57 174.642 174.642 174.199 0.443 25284 8499 1 18 . 1 1 57 57 GLY CA C 57 47.476 47.476 45.064 2.412 25284 8500 1 18 . 1 1 57 57 GLY H H 57 7.982 7.982 7.927 0.055 25284 8501 1 18 . 1 1 58 58 VAL N N 58 112.572 112.572 113.131 -0.559 25284 8502 1 18 . 1 1 58 58 VAL HA H 58 4.676 4.676 4.470 0.206 25284 8503 1 18 . 1 1 58 58 VAL C C 58 174.069 174.069 174.194 -0.125 25284 8504 1 18 . 1 1 58 58 VAL CA C 58 59.313 59.313 59.620 -0.307 25284 8505 1 18 . 1 1 58 58 VAL CB C 58 34.744 34.744 33.990 0.754 25284 8506 1 18 . 1 1 58 58 VAL H H 58 7.497 7.497 7.121 0.376 25284 8507 1 18 . 1 1 59 59 SER N N 59 117.179 117.179 114.571 2.608 25284 8508 1 18 . 1 1 59 59 SER HA H 59 4.846 4.846 4.951 -0.105 25284 8509 1 18 . 1 1 59 59 SER C C 59 173.699 173.699 173.188 0.511 25284 8510 1 18 . 1 1 59 59 SER CA C 59 57.401 57.401 58.043 -0.642 25284 8511 1 18 . 1 1 59 59 SER CB C 59 64.502 64.502 64.845 -0.343 25284 8512 1 18 . 1 1 59 59 SER H H 59 8.489 8.489 8.138 0.351 25284 8513 1 18 . 1 1 60 60 ILE N N 60 125.858 125.858 126.587 -0.729 25284 8514 1 18 . 1 1 60 60 ILE HA H 60 4.651 4.651 4.551 0.100 25284 8515 1 18 . 1 1 60 60 ILE CA C 60 57.694 57.694 58.360 -0.666 25284 8516 1 18 . 1 1 60 60 ILE CB C 60 40.500 40.500 39.102 1.398 25284 8517 1 18 . 1 1 60 60 ILE H H 60 8.222 8.222 9.633 -1.411 25284 8518 1 18 . 1 1 61 61 PRO HA H 61 4.530 4.530 4.472 0.058 25284 8519 1 18 . 1 1 61 61 PRO C C 61 177.512 177.512 177.419 0.093 25284 8520 1 18 . 1 1 61 61 PRO CA C 61 63.561 63.561 62.383 1.178 25284 8521 1 18 . 1 1 61 61 PRO CB C 61 32.770 32.770 32.422 0.347 25284 8522 1 18 . 1 1 62 62 ASP N N 62 123.459 123.459 122.500 0.959 25284 8523 1 18 . 1 1 62 62 ASP HA H 62 4.449 4.449 4.185 0.264 25284 8524 1 18 . 1 1 62 62 ASP C C 62 177.284 177.284 177.994 -0.710 25284 8525 1 18 . 1 1 62 62 ASP CA C 62 57.112 57.112 57.590 -0.478 25284 8526 1 18 . 1 1 62 62 ASP CB C 62 40.740 40.740 40.605 0.135 25284 8527 1 18 . 1 1 62 62 ASP H H 62 8.831 8.831 8.727 0.104 25284 8528 1 18 . 1 1 63 63 ASP N N 63 116.794 116.794 119.060 -2.266 25284 8529 1 18 . 1 1 63 63 ASP HA H 63 4.529 4.529 4.400 0.129 25284 8530 1 18 . 1 1 63 63 ASP C C 63 177.294 177.294 177.634 -0.340 25284 8531 1 18 . 1 1 63 63 ASP CA C 63 54.956 54.956 56.605 -1.649 25284 8532 1 18 . 1 1 63 63 ASP CB C 63 39.687 39.687 40.782 -1.095 25284 8533 1 18 . 1 1 63 63 ASP H H 63 8.617 8.617 8.433 0.184 25284 8534 1 18 . 1 1 64 64 VAL N N 64 119.209 119.209 118.755 0.454 25284 8535 1 18 . 1 1 64 64 VAL HA H 64 3.812 3.812 3.949 -0.137 25284 8536 1 18 . 1 1 64 64 VAL C C 64 177.556 177.556 177.708 -0.152 25284 8537 1 18 . 1 1 64 64 VAL CA C 64 65.179 65.179 64.730 0.449 25284 8538 1 18 . 1 1 64 64 VAL CB C 64 32.413 32.413 31.965 0.448 25284 8539 1 18 . 1 1 64 64 VAL H H 64 7.407 7.407 7.603 -0.196 25284 8540 1 18 . 1 1 65 65 ALA N N 65 122.418 122.418 124.009 -1.591 25284 8541 1 18 . 1 1 65 65 ALA HA H 65 3.987 3.987 4.066 -0.079 25284 8542 1 18 . 1 1 65 65 ALA C C 65 177.994 177.994 178.870 -0.876 25284 8543 1 18 . 1 1 65 65 ALA CA C 65 54.842 54.842 54.687 0.155 25284 8544 1 18 . 1 1 65 65 ALA CB C 65 18.522 18.522 18.217 0.305 25284 8545 1 18 . 1 1 65 65 ALA H H 65 8.246 8.246 7.716 0.530 25284 8546 1 18 . 1 1 66 66 GLY N N 66 100.378 100.378 103.992 -3.614 25284 8547 1 18 . 1 1 66 66 GLY C C 66 174.387 174.387 174.798 -0.411 25284 8548 1 18 . 1 1 66 66 GLY CA C 66 46.015 46.015 45.279 0.736 25284 8549 1 18 . 1 1 66 66 GLY H H 66 8.021 8.021 7.901 0.120 25284 8550 1 18 . 1 1 67 67 ARG N N 67 116.838 116.838 119.287 -2.449 25284 8551 1 18 . 1 1 67 67 ARG HA H 67 4.623 4.623 4.575 0.048 25284 8552 1 18 . 1 1 67 67 ARG C C 67 176.509 176.509 175.877 0.632 25284 8553 1 18 . 1 1 67 67 ARG CA C 67 55.883 55.883 55.722 0.161 25284 8554 1 18 . 1 1 67 67 ARG CB C 67 31.911 31.911 31.315 0.596 25284 8555 1 18 . 1 1 67 67 ARG H H 67 7.483 7.483 7.797 -0.314 25284 8556 1 18 . 1 1 68 68 VAL N N 68 114.649 114.649 115.369 -0.720 25284 8557 1 18 . 1 1 68 68 VAL HA H 68 4.468 4.468 4.285 0.183 25284 8558 1 18 . 1 1 68 68 VAL C C 68 175.192 175.192 174.600 0.592 25284 8559 1 18 . 1 1 68 68 VAL CA C 68 61.819 61.819 60.292 1.527 25284 8560 1 18 . 1 1 68 68 VAL CB C 68 33.624 33.624 33.658 -0.034 25284 8561 1 18 . 1 1 68 68 VAL H H 68 7.284 7.284 7.337 -0.053 25284 8562 1 18 . 1 1 69 69 ASP N N 69 120.972 120.972 120.370 0.602 25284 8563 1 18 . 1 1 69 69 ASP HA H 69 5.264 5.264 4.999 0.265 25284 8564 1 18 . 1 1 69 69 ASP C C 69 176.970 176.970 175.443 1.527 25284 8565 1 18 . 1 1 69 69 ASP CA C 69 55.811 55.811 55.261 0.550 25284 8566 1 18 . 1 1 69 69 ASP CB C 69 44.441 44.441 43.759 0.682 25284 8567 1 18 . 1 1 69 69 ASP H H 69 9.167 9.167 9.364 -0.197 25284 8568 1 18 . 1 1 70 70 THR N N 70 108.311 108.311 111.312 -3.001 25284 8569 1 18 . 1 1 70 70 THR HA H 70 4.939 4.939 4.611 0.328 25284 8570 1 18 . 1 1 70 70 THR CA C 70 57.823 57.823 58.440 -0.616 25284 8571 1 18 . 1 1 70 70 THR CB C 70 71.412 71.412 70.311 1.101 25284 8572 1 18 . 1 1 70 70 THR H H 70 7.477 7.477 8.770 -1.293 25284 8573 1 18 . 1 1 71 71 PRO HA H 71 4.235 4.235 4.261 -0.026 25284 8574 1 18 . 1 1 71 71 PRO C C 71 177.422 177.422 177.717 -0.295 25284 8575 1 18 . 1 1 71 71 PRO CA C 71 66.002 66.002 65.582 0.420 25284 8576 1 18 . 1 1 71 71 PRO CB C 71 32.686 32.686 31.576 1.109 25284 8577 1 18 . 1 1 72 72 ARG N N 72 117.972 117.972 117.374 0.598 25284 8578 1 18 . 1 1 72 72 ARG HA H 72 3.609 3.609 3.916 -0.307 25284 8579 1 18 . 1 1 72 72 ARG C C 72 177.616 177.616 178.404 -0.788 25284 8580 1 18 . 1 1 72 72 ARG CA C 72 60.243 60.243 59.440 0.803 25284 8581 1 18 . 1 1 72 72 ARG CB C 72 30.524 30.524 29.177 1.347 25284 8582 1 18 . 1 1 72 72 ARG H H 72 9.016 9.016 7.740 1.276 25284 8583 1 18 . 1 1 73 73 GLU N N 73 116.790 116.790 120.385 -3.595 25284 8584 1 18 . 1 1 73 73 GLU HA H 73 4.242 4.242 4.079 0.163 25284 8585 1 18 . 1 1 73 73 GLU C C 73 180.200 180.200 179.015 1.185 25284 8586 1 18 . 1 1 73 73 GLU CA C 73 59.226 59.226 58.882 0.344 25284 8587 1 18 . 1 1 73 73 GLU CB C 73 30.069 30.069 29.369 0.700 25284 8588 1 18 . 1 1 73 73 GLU H H 73 7.838 7.838 7.795 0.043 25284 8589 1 18 . 1 1 74 74 LEU N N 74 120.656 120.656 121.556 -0.900 25284 8590 1 18 . 1 1 74 74 LEU HA H 74 4.313 4.313 4.160 0.153 25284 8591 1 18 . 1 1 74 74 LEU C C 74 177.023 177.023 178.778 -1.755 25284 8592 1 18 . 1 1 74 74 LEU CA C 74 58.179 58.179 57.713 0.466 25284 8593 1 18 . 1 1 74 74 LEU CB C 74 42.292 42.292 41.672 0.620 25284 8594 1 18 . 1 1 74 74 LEU H H 74 7.703 7.703 7.351 0.352 25284 8595 1 18 . 1 1 75 75 LEU N N 75 121.434 121.434 119.866 1.568 25284 8596 1 18 . 1 1 75 75 LEU HA H 75 3.894 3.894 3.944 -0.050 25284 8597 1 18 . 1 1 75 75 LEU C C 75 178.169 178.169 177.932 0.237 25284 8598 1 18 . 1 1 75 75 LEU CA C 75 58.562 58.562 58.322 0.240 25284 8599 1 18 . 1 1 75 75 LEU CB C 75 42.408 42.408 41.565 0.843 25284 8600 1 18 . 1 1 75 75 LEU H H 75 8.743 8.743 8.513 0.230 25284 8601 1 18 . 1 1 76 76 ASP N N 76 117.849 117.849 119.013 -1.164 25284 8602 1 18 . 1 1 76 76 ASP HA H 76 4.488 4.488 4.310 0.178 25284 8603 1 18 . 1 1 76 76 ASP C C 76 180.127 180.127 178.475 1.652 25284 8604 1 18 . 1 1 76 76 ASP CA C 76 57.487 57.487 57.567 -0.080 25284 8605 1 18 . 1 1 76 76 ASP CB C 76 40.085 40.085 40.944 -0.859 25284 8606 1 18 . 1 1 76 76 ASP H H 76 8.711 8.711 7.870 0.841 25284 8607 1 18 . 1 1 77 77 LEU N N 77 123.252 123.252 120.483 2.769 25284 8608 1 18 . 1 1 77 77 LEU HA H 77 4.303 4.303 3.957 0.346 25284 8609 1 18 . 1 1 77 77 LEU C C 77 180.621 180.621 179.128 1.493 25284 8610 1 18 . 1 1 77 77 LEU CA C 77 58.439 58.439 57.867 0.572 25284 8611 1 18 . 1 1 77 77 LEU CB C 77 42.905 42.905 41.806 1.099 25284 8612 1 18 . 1 1 77 77 LEU H H 77 8.009 8.009 7.696 0.313 25284 8613 1 18 . 1 1 78 78 ILE N N 78 120.216 120.216 120.048 0.168 25284 8614 1 18 . 1 1 78 78 ILE HA H 78 3.750 3.750 3.552 0.198 25284 8615 1 18 . 1 1 78 78 ILE C C 78 177.713 177.713 178.252 -0.539 25284 8616 1 18 . 1 1 78 78 ILE CA C 78 64.757 64.757 64.438 0.319 25284 8617 1 18 . 1 1 78 78 ILE CB C 78 37.402 37.402 36.480 0.922 25284 8618 1 18 . 1 1 78 78 ILE H H 78 8.294 8.294 7.984 0.310 25284 8619 1 18 . 1 1 79 79 ASN N N 79 118.191 118.191 117.728 0.463 25284 8620 1 18 . 1 1 79 79 ASN HA H 79 4.912 4.912 4.405 0.507 25284 8621 1 18 . 1 1 79 79 ASN C C 79 179.524 179.524 178.243 1.281 25284 8622 1 18 . 1 1 79 79 ASN CA C 79 55.473 55.473 55.749 -0.276 25284 8623 1 18 . 1 1 79 79 ASN CB C 79 37.331 37.331 37.865 -0.534 25284 8624 1 18 . 1 1 79 79 ASN H H 79 8.887 8.887 8.296 0.591 25284 8625 1 18 . 1 1 80 80 GLY N N 80 110.387 110.387 108.268 2.119 25284 8626 1 18 . 1 1 80 80 GLY C C 80 175.783 175.783 175.253 0.530 25284 8627 1 18 . 1 1 80 80 GLY CA C 80 47.166 47.166 46.760 0.406 25284 8628 1 18 . 1 1 80 80 GLY H H 80 8.436 8.436 8.177 0.259 25284 8629 1 18 . 1 1 81 81 ALA N N 81 124.420 124.420 124.632 -0.212 25284 8630 1 18 . 1 1 81 81 ALA HA H 81 4.460 4.460 4.140 0.320 25284 8631 1 18 . 1 1 81 81 ALA C C 81 179.892 179.892 179.102 0.790 25284 8632 1 18 . 1 1 81 81 ALA CA C 81 54.389 54.389 54.221 0.168 25284 8633 1 18 . 1 1 81 81 ALA CB C 81 18.824 18.824 18.741 0.083 25284 8634 1 18 . 1 1 81 81 ALA H H 81 7.606 7.606 7.687 -0.081 25284 8635 1 18 . 1 1 82 82 LEU N N 82 120.239 120.239 119.397 0.842 25284 8636 1 18 . 1 1 82 82 LEU HA H 82 4.214 4.214 4.037 0.177 25284 8637 1 18 . 1 1 82 82 LEU C C 82 178.884 178.884 178.163 0.721 25284 8638 1 18 . 1 1 82 82 LEU CA C 82 57.098 57.098 57.262 -0.164 25284 8639 1 18 . 1 1 82 82 LEU CB C 82 42.739 42.739 41.835 0.904 25284 8640 1 18 . 1 1 82 82 LEU H H 82 8.285 8.285 8.350 -0.065 25284 8641 1 18 . 1 1 83 83 ALA N N 83 121.614 121.614 120.525 1.089 25284 8642 1 18 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.104 0.195 25284 8643 1 18 . 1 1 83 83 ALA C C 83 178.788 178.788 179.893 -1.105 25284 8644 1 18 . 1 1 83 83 ALA CA C 83 54.049 54.049 54.940 -0.891 25284 8645 1 18 . 1 1 83 83 ALA CB C 83 18.944 18.944 18.063 0.881 25284 8646 1 18 . 1 1 83 83 ALA H H 83 7.973 7.973 7.589 0.384 25284 8647 1 18 . 1 1 84 84 GLU N N 84 117.412 117.412 118.760 -1.348 25284 8648 1 18 . 1 1 84 84 GLU HA H 84 4.385 4.385 4.238 0.147 25284 8649 1 18 . 1 1 84 84 GLU C C 84 176.406 176.406 177.696 -1.290 25284 8650 1 18 . 1 1 84 84 GLU CA C 84 56.872 56.872 58.181 -1.309 25284 8651 1 18 . 1 1 84 84 GLU CB C 84 29.773 29.773 29.609 0.164 25284 8652 1 18 . 1 1 84 84 GLU H H 84 7.753 7.753 7.975 -0.222 25284 8653 1 18 . 1 1 85 85 ALA N N 85 124.256 124.256 119.635 4.621 25284 8654 1 18 . 1 1 85 85 ALA HA H 85 4.471 4.471 4.385 0.087 25284 8655 1 18 . 1 1 85 85 ALA C C 85 176.625 176.625 177.269 -0.644 25284 8656 1 18 . 1 1 85 85 ALA CA C 85 52.679 52.679 52.014 0.665 25284 8657 1 18 . 1 1 85 85 ALA CB C 85 19.702 19.702 19.131 0.571 25284 8658 1 18 . 1 1 85 85 ALA H H 85 7.832 7.832 7.502 0.330 25284 8659 1 19 . 1 1 2 2 ALA HA H 2 4.279 4.279 4.606 -0.327 25284 8660 1 19 . 1 1 2 2 ALA C C 2 173.785 173.785 176.664 -2.879 25284 8661 1 19 . 1 1 2 2 ALA CA C 2 52.136 52.136 52.492 -0.356 25284 8662 1 19 . 1 1 2 2 ALA CB C 2 20.083 20.083 19.828 0.255 25284 8663 1 19 . 1 1 3 3 THR N N 3 117.799 117.799 115.578 2.221 25284 8664 1 19 . 1 1 3 3 THR HA H 3 4.398 4.398 4.581 -0.183 25284 8665 1 19 . 1 1 3 3 THR C C 3 172.979 172.979 172.831 0.148 25284 8666 1 19 . 1 1 3 3 THR CA C 3 62.907 62.907 62.277 0.630 25284 8667 1 19 . 1 1 3 3 THR CB C 3 70.082 70.082 70.526 -0.444 25284 8668 1 19 . 1 1 3 3 THR H H 3 8.703 8.703 8.074 0.629 25284 8669 1 19 . 1 1 4 4 LEU N N 4 124.656 124.656 128.326 -3.670 25284 8670 1 19 . 1 1 4 4 LEU HA H 4 4.373 4.373 4.658 -0.285 25284 8671 1 19 . 1 1 4 4 LEU C C 4 177.215 177.215 175.798 1.417 25284 8672 1 19 . 1 1 4 4 LEU CA C 4 54.852 54.852 53.614 1.238 25284 8673 1 19 . 1 1 4 4 LEU CB C 4 42.864 42.864 43.932 -1.068 25284 8674 1 19 . 1 1 4 4 LEU H H 4 8.155 8.155 8.491 -0.336 25284 8675 1 19 . 1 1 5 5 LEU N N 5 124.772 124.772 127.665 -2.893 25284 8676 1 19 . 1 1 5 5 LEU HA H 5 4.530 4.530 4.259 0.271 25284 8677 1 19 . 1 1 5 5 LEU C C 5 177.915 177.915 177.131 0.784 25284 8678 1 19 . 1 1 5 5 LEU CA C 5 55.564 55.564 55.768 -0.204 25284 8679 1 19 . 1 1 5 5 LEU CB C 5 42.806 42.806 42.350 0.456 25284 8680 1 19 . 1 1 5 5 LEU H H 5 9.421 9.421 8.676 0.745 25284 8681 1 19 . 1 1 6 6 THR N N 6 115.077 115.077 114.515 0.562 25284 8682 1 19 . 1 1 6 6 THR HA H 6 4.745 4.745 4.673 0.072 25284 8683 1 19 . 1 1 6 6 THR C C 6 175.958 175.958 175.554 0.404 25284 8684 1 19 . 1 1 6 6 THR CA C 6 60.159 60.159 60.484 -0.325 25284 8685 1 19 . 1 1 6 6 THR CB C 6 72.442 72.442 70.670 1.772 25284 8686 1 19 . 1 1 6 6 THR H H 6 9.006 9.006 9.354 -0.348 25284 8687 1 19 . 1 1 7 7 THR N N 7 115.895 115.895 115.095 0.800 25284 8688 1 19 . 1 1 7 7 THR HA H 7 3.867 3.867 4.058 -0.191 25284 8689 1 19 . 1 1 7 7 THR C C 7 176.622 176.622 176.410 0.212 25284 8690 1 19 . 1 1 7 7 THR CA C 7 67.331 67.331 66.050 1.280 25284 8691 1 19 . 1 1 7 7 THR CB C 7 68.496 68.496 68.548 -0.052 25284 8692 1 19 . 1 1 7 7 THR H H 7 8.864 8.864 8.423 0.441 25284 8693 1 19 . 1 1 8 8 ASP N N 8 120.253 120.253 121.250 -0.997 25284 8694 1 19 . 1 1 8 8 ASP HA H 8 4.629 4.629 4.425 0.204 25284 8695 1 19 . 1 1 8 8 ASP C C 8 178.593 178.593 177.969 0.624 25284 8696 1 19 . 1 1 8 8 ASP CA C 8 57.740 57.740 58.049 -0.309 25284 8697 1 19 . 1 1 8 8 ASP CB C 8 41.273 41.273 40.729 0.544 25284 8698 1 19 . 1 1 8 8 ASP H H 8 8.289 8.289 8.600 -0.311 25284 8699 1 19 . 1 1 9 9 ASP N N 9 120.653 120.653 120.267 0.386 25284 8700 1 19 . 1 1 9 9 ASP HA H 9 4.560 4.560 4.353 0.207 25284 8701 1 19 . 1 1 9 9 ASP C C 9 179.465 179.465 178.560 0.905 25284 8702 1 19 . 1 1 9 9 ASP CA C 9 57.608 57.608 57.657 -0.049 25284 8703 1 19 . 1 1 9 9 ASP CB C 9 41.559 41.559 40.829 0.730 25284 8704 1 19 . 1 1 9 9 ASP H H 9 7.916 7.916 7.662 0.254 25284 8705 1 19 . 1 1 10 10 LEU N N 10 121.585 121.585 120.837 0.748 25284 8706 1 19 . 1 1 10 10 LEU HA H 10 4.216 4.216 4.137 0.079 25284 8707 1 19 . 1 1 10 10 LEU C C 10 177.517 177.517 178.215 -0.698 25284 8708 1 19 . 1 1 10 10 LEU CA C 10 58.031 58.031 57.550 0.481 25284 8709 1 19 . 1 1 10 10 LEU CB C 10 42.146 42.146 42.033 0.113 25284 8710 1 19 . 1 1 10 10 LEU H H 10 8.086 8.086 7.598 0.488 25284 8711 1 19 . 1 1 11 11 ARG N N 11 120.099 120.099 119.462 0.637 25284 8712 1 19 . 1 1 11 11 ARG HA H 11 3.514 3.514 3.820 -0.306 25284 8713 1 19 . 1 1 11 11 ARG C C 11 177.769 177.769 178.459 -0.690 25284 8714 1 19 . 1 1 11 11 ARG CA C 11 60.715 60.715 60.051 0.664 25284 8715 1 19 . 1 1 11 11 ARG CB C 11 30.775 30.775 29.983 0.791 25284 8716 1 19 . 1 1 11 11 ARG H H 11 8.852 8.852 8.320 0.532 25284 8717 1 19 . 1 1 12 12 ARG N N 12 115.840 115.840 118.488 -2.648 25284 8718 1 19 . 1 1 12 12 ARG HA H 12 4.032 4.032 4.059 -0.027 25284 8719 1 19 . 1 1 12 12 ARG C C 12 178.492 178.492 178.735 -0.243 25284 8720 1 19 . 1 1 12 12 ARG CA C 12 59.592 59.592 59.205 0.387 25284 8721 1 19 . 1 1 12 12 ARG CB C 12 30.583 30.583 30.134 0.449 25284 8722 1 19 . 1 1 12 12 ARG H H 12 7.996 7.996 7.896 0.100 25284 8723 1 19 . 1 1 13 13 ALA N N 13 120.184 120.184 122.225 -2.041 25284 8724 1 19 . 1 1 13 13 ALA HA H 13 4.401 4.401 4.512 -0.111 25284 8725 1 19 . 1 1 13 13 ALA C C 13 180.114 180.114 179.736 0.378 25284 8726 1 19 . 1 1 13 13 ALA CA C 13 54.938 54.938 54.387 0.551 25284 8727 1 19 . 1 1 13 13 ALA CB C 13 18.756 18.756 18.859 -0.103 25284 8728 1 19 . 1 1 13 13 ALA H H 13 7.705 7.705 7.638 0.067 25284 8729 1 19 . 1 1 14 14 LEU N N 14 119.427 119.427 121.016 -1.589 25284 8730 1 19 . 1 1 14 14 LEU HA H 14 4.424 4.424 4.240 0.184 25284 8731 1 19 . 1 1 14 14 LEU C C 14 179.766 179.766 179.409 0.357 25284 8732 1 19 . 1 1 14 14 LEU CA C 14 57.568 57.568 57.751 -0.183 25284 8733 1 19 . 1 1 14 14 LEU CB C 14 42.039 42.039 42.182 -0.143 25284 8734 1 19 . 1 1 14 14 LEU H H 14 8.424 8.424 8.529 -0.105 25284 8735 1 19 . 1 1 15 15 VAL N N 15 121.004 121.004 119.811 1.193 25284 8736 1 19 . 1 1 15 15 VAL HA H 15 3.920 3.920 3.610 0.310 25284 8737 1 19 . 1 1 15 15 VAL C C 15 179.014 179.014 177.980 1.034 25284 8738 1 19 . 1 1 15 15 VAL CA C 15 66.259 66.259 66.863 -0.604 25284 8739 1 19 . 1 1 15 15 VAL CB C 15 32.137 32.137 31.528 0.609 25284 8740 1 19 . 1 1 15 15 VAL H H 15 8.519 8.519 8.005 0.514 25284 8741 1 19 . 1 1 16 16 GLU N N 16 119.984 119.984 118.297 1.687 25284 8742 1 19 . 1 1 16 16 GLU HA H 16 4.206 4.206 4.046 0.160 25284 8743 1 19 . 1 1 16 16 GLU C C 16 178.547 178.547 177.639 0.908 25284 8744 1 19 . 1 1 16 16 GLU CA C 16 59.042 59.042 59.276 -0.234 25284 8745 1 19 . 1 1 16 16 GLU CB C 16 29.692 29.692 29.638 0.054 25284 8746 1 19 . 1 1 16 16 GLU H H 16 8.218 8.218 7.748 0.470 25284 8747 1 19 . 1 1 17 17 SER N N 17 113.928 113.928 110.547 3.381 25284 8748 1 19 . 1 1 17 17 SER HA H 17 4.577 4.577 4.478 0.099 25284 8749 1 19 . 1 1 17 17 SER C C 17 174.273 174.273 174.691 -0.418 25284 8750 1 19 . 1 1 17 17 SER CA C 17 59.940 59.940 58.248 1.692 25284 8751 1 19 . 1 1 17 17 SER CB C 17 64.378 64.378 62.788 1.589 25284 8752 1 19 . 1 1 17 17 SER H H 17 7.798 7.798 7.534 0.264 25284 8753 1 19 . 1 1 18 18 ALA N N 18 123.357 123.357 122.521 0.836 25284 8754 1 19 . 1 1 18 18 ALA HA H 18 4.347 4.347 4.175 0.172 25284 8755 1 19 . 1 1 18 18 ALA C C 18 178.292 178.292 178.111 0.181 25284 8756 1 19 . 1 1 18 18 ALA CA C 18 52.991 52.991 53.040 -0.049 25284 8757 1 19 . 1 1 18 18 ALA CB C 18 19.965 19.965 19.882 0.083 25284 8758 1 19 . 1 1 18 18 ALA H H 18 7.813 7.813 7.534 0.279 25284 8759 1 19 . 1 1 19 19 GLY N N 19 107.711 107.711 107.920 -0.209 25284 8760 1 19 . 1 1 19 19 GLY C C 19 174.440 174.440 174.436 0.004 25284 8761 1 19 . 1 1 19 19 GLY CA C 19 45.650 45.650 45.526 0.124 25284 8762 1 19 . 1 1 19 19 GLY H H 19 8.256 8.256 7.951 0.305 25284 8763 1 19 . 1 1 20 20 GLU N N 20 120.763 120.763 122.459 -1.696 25284 8764 1 19 . 1 1 20 20 GLU HA H 20 4.477 4.477 4.569 -0.092 25284 8765 1 19 . 1 1 20 20 GLU C C 20 176.905 176.905 176.560 0.345 25284 8766 1 19 . 1 1 20 20 GLU CA C 20 56.896 56.896 55.486 1.410 25284 8767 1 19 . 1 1 20 20 GLU CB C 20 30.160 30.160 29.979 0.181 25284 8768 1 19 . 1 1 20 20 GLU H H 20 8.508 8.508 8.695 -0.187 25284 8769 1 19 . 1 1 21 21 THR N N 21 114.316 114.316 116.877 -2.561 25284 8770 1 19 . 1 1 21 21 THR HA H 21 4.529 4.529 4.228 0.301 25284 8771 1 19 . 1 1 21 21 THR C C 21 174.564 174.564 174.232 0.332 25284 8772 1 19 . 1 1 21 21 THR CA C 21 61.942 61.942 62.064 -0.122 25284 8773 1 19 . 1 1 21 21 THR CB C 21 70.323 70.323 70.080 0.243 25284 8774 1 19 . 1 1 21 21 THR H H 21 8.258 8.258 7.938 0.320 25284 8775 1 19 . 1 1 22 22 ASP N N 22 122.479 122.479 119.385 3.094 25284 8776 1 19 . 1 1 22 22 ASP HA H 22 4.728 4.728 4.550 0.178 25284 8777 1 19 . 1 1 22 22 ASP C C 22 176.913 176.913 176.372 0.541 25284 8778 1 19 . 1 1 22 22 ASP CA C 22 54.806 54.806 54.027 0.779 25284 8779 1 19 . 1 1 22 22 ASP CB C 22 41.144 41.144 40.581 0.563 25284 8780 1 19 . 1 1 22 22 ASP H H 22 8.506 8.506 8.328 0.178 25284 8781 1 19 . 1 1 23 23 GLY N N 23 109.608 109.608 110.163 -0.555 25284 8782 1 19 . 1 1 23 23 GLY C C 23 174.806 174.806 174.863 -0.057 25284 8783 1 19 . 1 1 23 23 GLY CA C 23 45.969 45.969 45.021 0.948 25284 8784 1 19 . 1 1 23 23 GLY H H 23 8.503 8.503 8.696 -0.193 25284 8785 1 19 . 1 1 24 24 THR N N 24 116.205 116.205 113.541 2.664 25284 8786 1 19 . 1 1 24 24 THR HA H 24 4.333 4.333 4.018 0.315 25284 8787 1 19 . 1 1 24 24 THR C C 24 174.247 174.247 174.322 -0.075 25284 8788 1 19 . 1 1 24 24 THR CA C 24 63.240 63.240 63.902 -0.662 25284 8789 1 19 . 1 1 24 24 THR CB C 24 70.056 70.056 69.011 1.045 25284 8790 1 19 . 1 1 24 24 THR H H 24 8.152 8.152 7.645 0.507 25284 8791 1 19 . 1 1 25 25 ASP N N 25 124.096 124.096 121.837 2.259 25284 8792 1 19 . 1 1 25 25 ASP HA H 25 4.718 4.718 4.642 0.076 25284 8793 1 19 . 1 1 25 25 ASP C C 25 176.223 176.223 175.188 1.035 25284 8794 1 19 . 1 1 25 25 ASP CA C 25 54.536 54.536 54.328 0.208 25284 8795 1 19 . 1 1 25 25 ASP CB C 25 41.163 41.163 39.155 2.008 25284 8796 1 19 . 1 1 25 25 ASP H H 25 8.620 8.620 8.624 -0.004 25284 8797 1 19 . 1 1 26 26 LEU N N 26 123.934 123.934 119.560 4.374 25284 8798 1 19 . 1 1 26 26 LEU HA H 26 4.365 4.365 4.111 0.254 25284 8799 1 19 . 1 1 26 26 LEU C C 26 176.356 176.356 176.279 0.077 25284 8800 1 19 . 1 1 26 26 LEU CA C 26 54.374 54.374 55.097 -0.723 25284 8801 1 19 . 1 1 26 26 LEU CB C 26 41.235 41.235 42.920 -1.685 25284 8802 1 19 . 1 1 26 26 LEU H H 26 8.482 8.482 7.359 1.123 25284 8803 1 19 . 1 1 27 27 SER N N 27 115.330 115.330 115.311 0.019 25284 8804 1 19 . 1 1 27 27 SER HA H 27 4.300 4.300 4.542 -0.242 25284 8805 1 19 . 1 1 27 27 SER C C 27 175.077 175.077 173.780 1.297 25284 8806 1 19 . 1 1 27 27 SER CA C 27 59.917 59.917 58.175 1.742 25284 8807 1 19 . 1 1 27 27 SER CB C 27 64.229 64.229 63.642 0.587 25284 8808 1 19 . 1 1 27 27 SER H H 27 8.214 8.214 7.647 0.567 25284 8809 1 19 . 1 1 28 28 GLY N N 28 111.630 111.630 113.524 -1.894 25284 8810 1 19 . 1 1 28 28 GLY C C 28 174.303 174.303 173.496 0.807 25284 8811 1 19 . 1 1 28 28 GLY CA C 28 45.500 45.500 44.774 0.726 25284 8812 1 19 . 1 1 28 28 GLY H H 28 8.592 8.592 8.786 -0.194 25284 8813 1 19 . 1 1 29 29 ASP N N 29 123.552 123.552 118.123 5.429 25284 8814 1 19 . 1 1 29 29 ASP HA H 29 4.851 4.851 4.459 0.392 25284 8815 1 19 . 1 1 29 29 ASP C C 29 176.494 176.494 174.878 1.616 25284 8816 1 19 . 1 1 29 29 ASP CA C 29 54.312 54.312 54.907 -0.595 25284 8817 1 19 . 1 1 29 29 ASP CB C 29 39.771 39.771 41.176 -1.405 25284 8818 1 19 . 1 1 29 29 ASP H H 29 8.690 8.690 8.276 0.414 25284 8819 1 19 . 1 1 30 30 PHE N N 30 122.578 122.578 119.281 3.297 25284 8820 1 19 . 1 1 30 30 PHE HA H 30 4.764 4.764 4.624 0.140 25284 8821 1 19 . 1 1 30 30 PHE C C 30 175.529 175.529 174.476 1.053 25284 8822 1 19 . 1 1 30 30 PHE CA C 30 57.493 57.493 56.227 1.266 25284 8823 1 19 . 1 1 30 30 PHE CB C 30 40.639 40.639 38.597 2.042 25284 8824 1 19 . 1 1 30 30 PHE H H 30 8.076 8.076 7.895 0.181 25284 8825 1 19 . 1 1 31 31 LEU N N 31 119.188 119.188 124.451 -5.263 25284 8826 1 19 . 1 1 31 31 LEU HA H 31 3.302 3.302 3.561 -0.259 25284 8827 1 19 . 1 1 31 31 LEU C C 31 176.503 176.503 176.358 0.145 25284 8828 1 19 . 1 1 31 31 LEU CA C 31 57.940 57.940 57.418 0.522 25284 8829 1 19 . 1 1 31 31 LEU CB C 31 42.218 42.218 42.000 0.218 25284 8830 1 19 . 1 1 31 31 LEU H H 31 7.535 7.535 7.360 0.175 25284 8831 1 19 . 1 1 32 32 ASP N N 32 112.101 112.101 115.649 -3.548 25284 8832 1 19 . 1 1 32 32 ASP HA H 32 5.047 5.047 4.605 0.442 25284 8833 1 19 . 1 1 32 32 ASP C C 32 176.064 176.064 175.225 0.839 25284 8834 1 19 . 1 1 32 32 ASP CA C 32 53.755 53.755 53.955 -0.200 25284 8835 1 19 . 1 1 32 32 ASP CB C 32 41.824 41.824 41.228 0.596 25284 8836 1 19 . 1 1 32 32 ASP H H 32 8.087 8.087 8.274 -0.187 25284 8837 1 19 . 1 1 33 33 LEU N N 33 122.380 122.380 121.295 1.085 25284 8838 1 19 . 1 1 33 33 LEU HA H 33 4.309 4.309 4.332 -0.023 25284 8839 1 19 . 1 1 33 33 LEU C C 33 174.879 174.879 174.968 -0.089 25284 8840 1 19 . 1 1 33 33 LEU CA C 33 54.566 54.566 54.806 -0.239 25284 8841 1 19 . 1 1 33 33 LEU CB C 33 42.528 42.528 43.294 -0.766 25284 8842 1 19 . 1 1 33 33 LEU H H 33 7.222 7.222 7.232 -0.010 25284 8843 1 19 . 1 1 34 34 ARG N N 34 116.439 116.439 119.976 -3.537 25284 8844 1 19 . 1 1 34 34 ARG HA H 34 4.725 4.725 4.617 0.108 25284 8845 1 19 . 1 1 34 34 ARG C C 34 179.778 179.778 177.940 1.838 25284 8846 1 19 . 1 1 34 34 ARG CA C 34 55.536 55.536 54.352 1.183 25284 8847 1 19 . 1 1 34 34 ARG CB C 34 30.173 30.173 31.047 -0.873 25284 8848 1 19 . 1 1 34 34 ARG H H 34 8.487 8.487 8.073 0.414 25284 8849 1 19 . 1 1 35 35 PHE N N 35 123.548 123.548 122.268 1.280 25284 8850 1 19 . 1 1 35 35 PHE HA H 35 4.385 4.385 4.209 0.176 25284 8851 1 19 . 1 1 35 35 PHE C C 35 178.776 178.776 177.442 1.334 25284 8852 1 19 . 1 1 35 35 PHE CA C 35 63.121 63.121 62.373 0.748 25284 8853 1 19 . 1 1 35 35 PHE CB C 35 37.967 37.967 38.759 -0.792 25284 8854 1 19 . 1 1 35 35 PHE H H 35 8.455 8.455 9.113 -0.658 25284 8855 1 19 . 1 1 36 36 GLU N N 36 117.380 117.380 117.290 0.090 25284 8856 1 19 . 1 1 36 36 GLU HA H 36 4.358 4.358 4.131 0.227 25284 8857 1 19 . 1 1 36 36 GLU C C 36 178.612 178.612 178.046 0.566 25284 8858 1 19 . 1 1 36 36 GLU CA C 36 59.145 59.145 58.750 0.395 25284 8859 1 19 . 1 1 36 36 GLU CB C 36 29.301 29.301 28.941 0.360 25284 8860 1 19 . 1 1 36 36 GLU H H 36 9.560 9.560 8.751 0.809 25284 8861 1 19 . 1 1 37 37 ASP N N 37 118.596 118.596 118.701 -0.105 25284 8862 1 19 . 1 1 37 37 ASP HA H 37 4.810 4.810 4.575 0.235 25284 8863 1 19 . 1 1 37 37 ASP C C 37 177.993 177.993 177.548 0.445 25284 8864 1 19 . 1 1 37 37 ASP CA C 37 56.474 56.474 56.635 -0.161 25284 8865 1 19 . 1 1 37 37 ASP CB C 37 41.411 41.411 41.392 0.019 25284 8866 1 19 . 1 1 37 37 ASP H H 37 7.546 7.546 7.807 -0.261 25284 8867 1 19 . 1 1 38 38 ILE N N 38 113.080 113.080 113.045 0.035 25284 8868 1 19 . 1 1 38 38 ILE HA H 38 4.663 4.663 4.402 0.261 25284 8869 1 19 . 1 1 38 38 ILE C C 38 176.140 176.140 176.742 -0.602 25284 8870 1 19 . 1 1 38 38 ILE CA C 38 62.038 62.038 61.304 0.734 25284 8871 1 19 . 1 1 38 38 ILE CB C 38 38.755 38.755 37.763 0.993 25284 8872 1 19 . 1 1 38 38 ILE H H 38 7.725 7.725 7.335 0.390 25284 8873 1 19 . 1 1 39 39 GLY N N 39 107.376 107.376 108.865 -1.489 25284 8874 1 19 . 1 1 39 39 GLY C C 39 174.497 174.497 174.576 -0.079 25284 8875 1 19 . 1 1 39 39 GLY CA C 39 46.580 46.580 46.129 0.451 25284 8876 1 19 . 1 1 39 39 GLY H H 39 7.736 7.736 7.862 -0.126 25284 8877 1 19 . 1 1 40 40 TYR N N 40 121.883 121.883 119.895 1.988 25284 8878 1 19 . 1 1 40 40 TYR HA H 40 4.583 4.583 4.507 0.076 25284 8879 1 19 . 1 1 40 40 TYR C C 40 174.479 174.479 175.806 -1.327 25284 8880 1 19 . 1 1 40 40 TYR CA C 40 58.153 58.153 59.230 -1.077 25284 8881 1 19 . 1 1 40 40 TYR CB C 40 40.535 40.535 39.343 1.192 25284 8882 1 19 . 1 1 40 40 TYR H H 40 8.059 8.059 7.827 0.232 25284 8883 1 19 . 1 1 41 41 ASP N N 41 124.021 124.021 122.223 1.798 25284 8884 1 19 . 1 1 41 41 ASP HA H 41 4.739 4.739 4.698 0.041 25284 8885 1 19 . 1 1 41 41 ASP C C 41 175.831 175.831 177.173 -1.342 25284 8886 1 19 . 1 1 41 41 ASP CA C 41 52.669 52.669 53.763 -1.094 25284 8887 1 19 . 1 1 41 41 ASP CB C 41 42.015 42.015 43.284 -1.269 25284 8888 1 19 . 1 1 41 41 ASP H H 41 7.992 7.992 8.211 -0.219 25284 8889 1 19 . 1 1 42 42 SER N N 42 114.198 114.198 116.388 -2.190 25284 8890 1 19 . 1 1 42 42 SER HA H 42 4.272 4.272 4.378 -0.106 25284 8891 1 19 . 1 1 42 42 SER C C 42 176.102 176.102 176.869 -0.767 25284 8892 1 19 . 1 1 42 42 SER CA C 42 60.657 60.657 60.764 -0.107 25284 8893 1 19 . 1 1 42 42 SER CB C 42 66.110 66.110 63.273 2.837 25284 8894 1 19 . 1 1 43 43 LEU N N 43 124.254 124.254 121.352 2.902 25284 8895 1 19 . 1 1 43 43 LEU HA H 43 4.269 4.269 4.037 0.232 25284 8896 1 19 . 1 1 43 43 LEU C C 43 179.140 179.140 178.337 0.803 25284 8897 1 19 . 1 1 43 43 LEU CA C 43 58.567 58.567 58.001 0.566 25284 8898 1 19 . 1 1 43 43 LEU CB C 43 41.178 41.178 41.510 -0.332 25284 8899 1 19 . 1 1 43 43 LEU H H 43 7.792 7.792 9.181 -1.389 25284 8900 1 19 . 1 1 44 44 ALA N N 44 123.473 123.473 121.553 1.920 25284 8901 1 19 . 1 1 44 44 ALA HA H 44 4.318 4.318 4.072 0.246 25284 8902 1 19 . 1 1 44 44 ALA C C 44 181.903 181.903 179.674 2.229 25284 8903 1 19 . 1 1 44 44 ALA CA C 44 55.068 55.068 54.967 0.102 25284 8904 1 19 . 1 1 44 44 ALA CB C 44 18.556 18.556 18.335 0.221 25284 8905 1 19 . 1 1 44 44 ALA H H 44 8.140 8.140 7.921 0.219 25284 8906 1 19 . 1 1 45 45 LEU N N 45 121.524 121.524 120.302 1.222 25284 8907 1 19 . 1 1 45 45 LEU HA H 45 3.898 3.898 4.269 -0.371 25284 8908 1 19 . 1 1 45 45 LEU C C 45 179.040 179.040 178.579 0.461 25284 8909 1 19 . 1 1 45 45 LEU CA C 45 58.475 58.475 56.571 1.904 25284 8910 1 19 . 1 1 45 45 LEU CB C 45 41.780 41.780 41.306 0.474 25284 8911 1 19 . 1 1 45 45 LEU H H 45 8.442 8.442 7.617 0.825 25284 8912 1 19 . 1 1 46 46 MET N N 46 119.769 119.769 119.496 0.273 25284 8913 1 19 . 1 1 46 46 MET HA H 46 4.265 4.265 3.906 0.359 25284 8914 1 19 . 1 1 46 46 MET C C 46 180.609 180.609 178.688 1.921 25284 8915 1 19 . 1 1 46 46 MET CA C 46 58.853 58.853 60.220 -1.367 25284 8916 1 19 . 1 1 46 46 MET CB C 46 32.119 32.119 31.997 0.122 25284 8917 1 19 . 1 1 46 46 MET H H 46 8.234 8.234 8.309 -0.075 25284 8918 1 19 . 1 1 47 47 GLU N N 47 121.097 121.097 119.409 1.688 25284 8919 1 19 . 1 1 47 47 GLU HA H 47 4.228 4.228 4.016 0.212 25284 8920 1 19 . 1 1 47 47 GLU C C 47 179.333 179.333 179.424 -0.091 25284 8921 1 19 . 1 1 47 47 GLU CA C 47 59.644 59.644 59.472 0.172 25284 8922 1 19 . 1 1 47 47 GLU CB C 47 28.977 28.977 29.538 -0.561 25284 8923 1 19 . 1 1 47 47 GLU H H 47 8.517 8.517 8.538 -0.021 25284 8924 1 19 . 1 1 48 48 THR N N 48 118.834 118.834 116.492 2.342 25284 8925 1 19 . 1 1 48 48 THR HA H 48 3.961 3.961 4.081 -0.120 25284 8926 1 19 . 1 1 48 48 THR C C 48 176.348 176.348 176.347 0.001 25284 8927 1 19 . 1 1 48 48 THR CA C 48 67.842 67.842 66.399 1.443 25284 8928 1 19 . 1 1 48 48 THR CB C 48 68.056 68.056 68.663 -0.607 25284 8929 1 19 . 1 1 48 48 THR H H 48 8.325 8.325 8.152 0.173 25284 8930 1 19 . 1 1 49 49 ALA N N 49 123.924 123.924 123.258 0.666 25284 8931 1 19 . 1 1 49 49 ALA HA H 49 3.926 3.926 4.046 -0.120 25284 8932 1 19 . 1 1 49 49 ALA C C 49 178.608 178.608 179.428 -0.820 25284 8933 1 19 . 1 1 49 49 ALA CA C 49 56.247 56.247 55.105 1.143 25284 8934 1 19 . 1 1 49 49 ALA CB C 49 17.569 17.569 18.149 -0.580 25284 8935 1 19 . 1 1 49 49 ALA H H 49 8.747 8.747 8.256 0.491 25284 8936 1 19 . 1 1 50 50 ALA N N 50 119.691 119.691 121.218 -1.527 25284 8937 1 19 . 1 1 50 50 ALA HA H 50 4.269 4.269 4.208 0.061 25284 8938 1 19 . 1 1 50 50 ALA C C 50 181.310 181.310 179.331 1.979 25284 8939 1 19 . 1 1 50 50 ALA CA C 50 55.422 55.422 54.927 0.495 25284 8940 1 19 . 1 1 50 50 ALA CB C 50 18.171 18.171 18.386 -0.215 25284 8941 1 19 . 1 1 50 50 ALA H H 50 8.245 8.245 8.707 -0.462 25284 8942 1 19 . 1 1 51 51 ARG N N 51 119.913 119.913 118.965 0.948 25284 8943 1 19 . 1 1 51 51 ARG HA H 51 4.247 4.247 4.114 0.133 25284 8944 1 19 . 1 1 51 51 ARG C C 51 179.808 179.808 178.679 1.129 25284 8945 1 19 . 1 1 51 51 ARG CA C 51 59.673 59.673 58.743 0.930 25284 8946 1 19 . 1 1 51 51 ARG CB C 51 30.539 30.539 29.637 0.902 25284 8947 1 19 . 1 1 51 51 ARG H H 51 8.129 8.129 7.722 0.407 25284 8948 1 19 . 1 1 52 52 LEU N N 52 120.624 120.624 119.321 1.303 25284 8949 1 19 . 1 1 52 52 LEU HA H 52 4.319 4.319 4.231 0.088 25284 8950 1 19 . 1 1 52 52 LEU C C 52 179.192 179.192 179.137 0.055 25284 8951 1 19 . 1 1 52 52 LEU CA C 52 58.253 58.253 58.057 0.196 25284 8952 1 19 . 1 1 52 52 LEU CB C 52 42.812 42.812 41.560 1.252 25284 8953 1 19 . 1 1 52 52 LEU H H 52 8.423 8.423 7.548 0.875 25284 8954 1 19 . 1 1 53 53 GLU N N 53 119.779 119.779 120.458 -0.679 25284 8955 1 19 . 1 1 53 53 GLU HA H 53 4.108 4.108 4.072 0.036 25284 8956 1 19 . 1 1 53 53 GLU C C 53 179.388 179.388 179.734 -0.346 25284 8957 1 19 . 1 1 53 53 GLU CA C 53 60.211 60.211 59.885 0.326 25284 8958 1 19 . 1 1 53 53 GLU CB C 53 29.143 29.143 29.552 -0.409 25284 8959 1 19 . 1 1 53 53 GLU H H 53 8.974 8.974 8.886 0.088 25284 8960 1 19 . 1 1 54 54 SER N N 54 113.169 113.169 113.561 -0.392 25284 8961 1 19 . 1 1 54 54 SER HA H 54 4.384 4.384 4.382 0.002 25284 8962 1 19 . 1 1 54 54 SER C C 54 176.953 176.953 175.547 1.406 25284 8963 1 19 . 1 1 54 54 SER CA C 54 61.279 61.279 60.896 0.383 25284 8964 1 19 . 1 1 54 54 SER CB C 54 63.402 63.402 63.057 0.345 25284 8965 1 19 . 1 1 54 54 SER H H 54 8.037 8.037 8.449 -0.412 25284 8966 1 19 . 1 1 55 55 ARG N N 55 120.851 120.851 120.593 0.258 25284 8967 1 19 . 1 1 55 55 ARG HA H 55 4.100 4.100 4.084 0.016 25284 8968 1 19 . 1 1 55 55 ARG C C 55 177.905 177.905 177.726 0.179 25284 8969 1 19 . 1 1 55 55 ARG CA C 55 58.949 58.949 58.306 0.643 25284 8970 1 19 . 1 1 55 55 ARG CB C 55 30.896 30.896 30.780 0.116 25284 8971 1 19 . 1 1 55 55 ARG H H 55 8.099 8.099 7.782 0.317 25284 8972 1 19 . 1 1 56 56 TYR N N 56 113.669 113.669 115.354 -1.685 25284 8973 1 19 . 1 1 56 56 TYR HA H 56 4.687 4.687 4.580 0.107 25284 8974 1 19 . 1 1 56 56 TYR C C 56 176.069 176.069 175.427 0.642 25284 8975 1 19 . 1 1 56 56 TYR CA C 56 59.055 59.055 57.899 1.156 25284 8976 1 19 . 1 1 56 56 TYR CB C 56 39.465 39.465 39.225 0.240 25284 8977 1 19 . 1 1 56 56 TYR H H 56 8.158 8.158 7.923 0.235 25284 8978 1 19 . 1 1 57 57 GLY N N 57 109.856 109.856 108.968 0.888 25284 8979 1 19 . 1 1 57 57 GLY C C 57 174.642 174.642 174.115 0.527 25284 8980 1 19 . 1 1 57 57 GLY CA C 57 47.476 47.476 45.200 2.276 25284 8981 1 19 . 1 1 57 57 GLY H H 57 7.982 7.982 7.872 0.110 25284 8982 1 19 . 1 1 58 58 VAL N N 58 112.572 112.572 114.555 -1.983 25284 8983 1 19 . 1 1 58 58 VAL HA H 58 4.676 4.676 4.658 0.018 25284 8984 1 19 . 1 1 58 58 VAL C C 58 174.069 174.069 173.280 0.789 25284 8985 1 19 . 1 1 58 58 VAL CA C 58 59.313 59.313 59.211 0.102 25284 8986 1 19 . 1 1 58 58 VAL CB C 58 34.744 34.744 35.028 -0.284 25284 8987 1 19 . 1 1 58 58 VAL H H 58 7.497 7.497 7.934 -0.437 25284 8988 1 19 . 1 1 59 59 SER N N 59 117.179 117.179 114.516 2.663 25284 8989 1 19 . 1 1 59 59 SER HA H 59 4.846 4.846 4.957 -0.111 25284 8990 1 19 . 1 1 59 59 SER C C 59 173.699 173.699 173.280 0.419 25284 8991 1 19 . 1 1 59 59 SER CA C 59 57.401 57.401 57.563 -0.162 25284 8992 1 19 . 1 1 59 59 SER CB C 59 64.502 64.502 64.969 -0.467 25284 8993 1 19 . 1 1 59 59 SER H H 59 8.489 8.489 8.131 0.358 25284 8994 1 19 . 1 1 60 60 ILE N N 60 125.858 125.858 126.876 -1.018 25284 8995 1 19 . 1 1 60 60 ILE HA H 60 4.651 4.651 4.542 0.109 25284 8996 1 19 . 1 1 60 60 ILE CA C 60 57.694 57.694 58.217 -0.523 25284 8997 1 19 . 1 1 60 60 ILE CB C 60 40.500 40.500 40.427 0.073 25284 8998 1 19 . 1 1 60 60 ILE H H 60 8.222 8.222 9.274 -1.052 25284 8999 1 19 . 1 1 61 61 PRO HA H 61 4.530 4.530 4.569 -0.039 25284 9000 1 19 . 1 1 61 61 PRO C C 61 177.512 177.512 176.875 0.637 25284 9001 1 19 . 1 1 61 61 PRO CA C 61 63.561 63.561 62.548 1.013 25284 9002 1 19 . 1 1 61 61 PRO CB C 61 32.770 32.770 32.387 0.383 25284 9003 1 19 . 1 1 62 62 ASP N N 62 123.459 123.459 122.421 1.038 25284 9004 1 19 . 1 1 62 62 ASP HA H 62 4.449 4.449 4.185 0.264 25284 9005 1 19 . 1 1 62 62 ASP C C 62 177.284 177.284 177.310 -0.026 25284 9006 1 19 . 1 1 62 62 ASP CA C 62 57.112 57.112 56.987 0.125 25284 9007 1 19 . 1 1 62 62 ASP CB C 62 40.740 40.740 40.664 0.076 25284 9008 1 19 . 1 1 62 62 ASP H H 62 8.831 8.831 8.613 0.218 25284 9009 1 19 . 1 1 63 63 ASP N N 63 116.794 116.794 117.758 -0.964 25284 9010 1 19 . 1 1 63 63 ASP HA H 63 4.529 4.529 4.397 0.132 25284 9011 1 19 . 1 1 63 63 ASP C C 63 177.294 177.294 177.971 -0.677 25284 9012 1 19 . 1 1 63 63 ASP CA C 63 54.956 54.956 56.445 -1.489 25284 9013 1 19 . 1 1 63 63 ASP CB C 63 39.687 39.687 40.521 -0.834 25284 9014 1 19 . 1 1 63 63 ASP H H 63 8.617 8.617 8.533 0.084 25284 9015 1 19 . 1 1 64 64 VAL N N 64 119.209 119.209 120.641 -1.432 25284 9016 1 19 . 1 1 64 64 VAL HA H 64 3.812 3.812 3.899 -0.087 25284 9017 1 19 . 1 1 64 64 VAL C C 64 177.556 177.556 178.338 -0.782 25284 9018 1 19 . 1 1 64 64 VAL CA C 64 65.179 65.179 64.432 0.747 25284 9019 1 19 . 1 1 64 64 VAL CB C 64 32.413 32.413 30.869 1.544 25284 9020 1 19 . 1 1 64 64 VAL H H 64 7.407 7.407 7.818 -0.411 25284 9021 1 19 . 1 1 65 65 ALA N N 65 122.418 122.418 122.965 -0.547 25284 9022 1 19 . 1 1 65 65 ALA HA H 65 3.987 3.987 4.074 -0.087 25284 9023 1 19 . 1 1 65 65 ALA C C 65 177.994 177.994 178.558 -0.564 25284 9024 1 19 . 1 1 65 65 ALA CA C 65 54.842 54.842 54.427 0.415 25284 9025 1 19 . 1 1 65 65 ALA CB C 65 18.522 18.522 18.389 0.133 25284 9026 1 19 . 1 1 65 65 ALA H H 65 8.246 8.246 7.612 0.634 25284 9027 1 19 . 1 1 66 66 GLY N N 66 100.378 100.378 103.889 -3.511 25284 9028 1 19 . 1 1 66 66 GLY C C 66 174.387 174.387 174.717 -0.330 25284 9029 1 19 . 1 1 66 66 GLY CA C 66 46.015 46.015 45.209 0.806 25284 9030 1 19 . 1 1 66 66 GLY H H 66 8.021 8.021 7.623 0.398 25284 9031 1 19 . 1 1 67 67 ARG N N 67 116.838 116.838 119.875 -3.037 25284 9032 1 19 . 1 1 67 67 ARG HA H 67 4.623 4.623 4.538 0.085 25284 9033 1 19 . 1 1 67 67 ARG C C 67 176.509 176.509 175.316 1.193 25284 9034 1 19 . 1 1 67 67 ARG CA C 67 55.883 55.883 55.495 0.388 25284 9035 1 19 . 1 1 67 67 ARG CB C 67 31.911 31.911 31.080 0.831 25284 9036 1 19 . 1 1 67 67 ARG H H 67 7.483 7.483 7.676 -0.193 25284 9037 1 19 . 1 1 68 68 VAL N N 68 114.649 114.649 116.667 -2.018 25284 9038 1 19 . 1 1 68 68 VAL HA H 68 4.468 4.468 4.273 0.195 25284 9039 1 19 . 1 1 68 68 VAL C C 68 175.192 175.192 174.909 0.283 25284 9040 1 19 . 1 1 68 68 VAL CA C 68 61.819 61.819 60.919 0.901 25284 9041 1 19 . 1 1 68 68 VAL CB C 68 33.624 33.624 33.892 -0.268 25284 9042 1 19 . 1 1 68 68 VAL H H 68 7.284 7.284 7.190 0.094 25284 9043 1 19 . 1 1 69 69 ASP N N 69 120.972 120.972 120.379 0.593 25284 9044 1 19 . 1 1 69 69 ASP HA H 69 5.264 5.264 4.832 0.432 25284 9045 1 19 . 1 1 69 69 ASP C C 69 176.970 176.970 175.581 1.389 25284 9046 1 19 . 1 1 69 69 ASP CA C 69 55.811 55.811 55.510 0.301 25284 9047 1 19 . 1 1 69 69 ASP CB C 69 44.441 44.441 42.367 2.074 25284 9048 1 19 . 1 1 69 69 ASP H H 69 9.167 9.167 8.889 0.278 25284 9049 1 19 . 1 1 70 70 THR N N 70 108.311 108.311 107.939 0.372 25284 9050 1 19 . 1 1 70 70 THR HA H 70 4.939 4.939 5.034 -0.095 25284 9051 1 19 . 1 1 70 70 THR CA C 70 57.823 57.823 58.184 -0.361 25284 9052 1 19 . 1 1 70 70 THR CB C 70 71.412 71.412 70.632 0.780 25284 9053 1 19 . 1 1 70 70 THR H H 70 7.477 7.477 7.528 -0.051 25284 9054 1 19 . 1 1 71 71 PRO HA H 71 4.235 4.235 4.178 0.057 25284 9055 1 19 . 1 1 71 71 PRO C C 71 177.422 177.422 177.666 -0.244 25284 9056 1 19 . 1 1 71 71 PRO CA C 71 66.002 66.002 65.599 0.403 25284 9057 1 19 . 1 1 71 71 PRO CB C 71 32.686 32.686 31.377 1.309 25284 9058 1 19 . 1 1 72 72 ARG N N 72 117.972 117.972 116.096 1.876 25284 9059 1 19 . 1 1 72 72 ARG HA H 72 3.609 3.609 3.888 -0.279 25284 9060 1 19 . 1 1 72 72 ARG C C 72 177.616 177.616 178.174 -0.558 25284 9061 1 19 . 1 1 72 72 ARG CA C 72 60.243 60.243 59.236 1.007 25284 9062 1 19 . 1 1 72 72 ARG CB C 72 30.524 30.524 29.118 1.406 25284 9063 1 19 . 1 1 72 72 ARG H H 72 9.016 9.016 7.578 1.438 25284 9064 1 19 . 1 1 73 73 GLU N N 73 116.790 116.790 120.127 -3.337 25284 9065 1 19 . 1 1 73 73 GLU HA H 73 4.242 4.242 4.151 0.091 25284 9066 1 19 . 1 1 73 73 GLU C C 73 180.200 180.200 178.851 1.349 25284 9067 1 19 . 1 1 73 73 GLU CA C 73 59.226 59.226 58.640 0.586 25284 9068 1 19 . 1 1 73 73 GLU CB C 73 30.069 30.069 29.165 0.904 25284 9069 1 19 . 1 1 73 73 GLU H H 73 7.838 7.838 7.869 -0.031 25284 9070 1 19 . 1 1 74 74 LEU N N 74 120.656 120.656 121.524 -0.868 25284 9071 1 19 . 1 1 74 74 LEU HA H 74 4.313 4.313 4.148 0.165 25284 9072 1 19 . 1 1 74 74 LEU C C 74 177.023 177.023 178.691 -1.668 25284 9073 1 19 . 1 1 74 74 LEU CA C 74 58.179 58.179 57.366 0.813 25284 9074 1 19 . 1 1 74 74 LEU CB C 74 42.292 42.292 41.596 0.696 25284 9075 1 19 . 1 1 74 74 LEU H H 74 7.703 7.703 7.457 0.246 25284 9076 1 19 . 1 1 75 75 LEU N N 75 121.434 121.434 120.100 1.334 25284 9077 1 19 . 1 1 75 75 LEU HA H 75 3.894 3.894 3.958 -0.064 25284 9078 1 19 . 1 1 75 75 LEU C C 75 178.169 178.169 177.909 0.260 25284 9079 1 19 . 1 1 75 75 LEU CA C 75 58.562 58.562 58.209 0.353 25284 9080 1 19 . 1 1 75 75 LEU CB C 75 42.408 42.408 41.605 0.803 25284 9081 1 19 . 1 1 75 75 LEU H H 75 8.743 8.743 8.764 -0.021 25284 9082 1 19 . 1 1 76 76 ASP N N 76 117.849 117.849 119.561 -1.712 25284 9083 1 19 . 1 1 76 76 ASP HA H 76 4.488 4.488 4.579 -0.091 25284 9084 1 19 . 1 1 76 76 ASP C C 76 180.127 180.127 178.541 1.586 25284 9085 1 19 . 1 1 76 76 ASP CA C 76 57.487 57.487 57.324 0.163 25284 9086 1 19 . 1 1 76 76 ASP CB C 76 40.085 40.085 40.898 -0.813 25284 9087 1 19 . 1 1 76 76 ASP H H 76 8.711 8.711 7.870 0.841 25284 9088 1 19 . 1 1 77 77 LEU N N 77 123.252 123.252 120.349 2.903 25284 9089 1 19 . 1 1 77 77 LEU HA H 77 4.303 4.303 3.991 0.312 25284 9090 1 19 . 1 1 77 77 LEU C C 77 180.621 180.621 179.464 1.157 25284 9091 1 19 . 1 1 77 77 LEU CA C 77 58.439 58.439 57.655 0.784 25284 9092 1 19 . 1 1 77 77 LEU CB C 77 42.905 42.905 41.843 1.062 25284 9093 1 19 . 1 1 77 77 LEU H H 77 8.009 8.009 7.663 0.346 25284 9094 1 19 . 1 1 78 78 ILE N N 78 120.216 120.216 119.889 0.327 25284 9095 1 19 . 1 1 78 78 ILE HA H 78 3.750 3.750 3.646 0.104 25284 9096 1 19 . 1 1 78 78 ILE C C 78 177.713 177.713 177.972 -0.259 25284 9097 1 19 . 1 1 78 78 ILE CA C 78 64.757 64.757 63.458 1.299 25284 9098 1 19 . 1 1 78 78 ILE CB C 78 37.402 37.402 36.604 0.798 25284 9099 1 19 . 1 1 78 78 ILE H H 78 8.294 8.294 7.717 0.577 25284 9100 1 19 . 1 1 79 79 ASN N N 79 118.191 118.191 119.275 -1.084 25284 9101 1 19 . 1 1 79 79 ASN HA H 79 4.912 4.912 4.186 0.726 25284 9102 1 19 . 1 1 79 79 ASN C C 79 179.524 179.524 177.871 1.653 25284 9103 1 19 . 1 1 79 79 ASN CA C 79 55.473 55.473 56.624 -1.151 25284 9104 1 19 . 1 1 79 79 ASN CB C 79 37.331 37.331 38.124 -0.793 25284 9105 1 19 . 1 1 79 79 ASN H H 79 8.887 8.887 8.734 0.153 25284 9106 1 19 . 1 1 80 80 GLY N N 80 110.387 110.387 107.065 3.322 25284 9107 1 19 . 1 1 80 80 GLY C C 80 175.783 175.783 175.418 0.365 25284 9108 1 19 . 1 1 80 80 GLY CA C 80 47.166 47.166 47.028 0.139 25284 9109 1 19 . 1 1 80 80 GLY H H 80 8.436 8.436 8.576 -0.140 25284 9110 1 19 . 1 1 81 81 ALA N N 81 124.420 124.420 123.818 0.602 25284 9111 1 19 . 1 1 81 81 ALA HA H 81 4.460 4.460 4.297 0.163 25284 9112 1 19 . 1 1 81 81 ALA C C 81 179.892 179.892 179.490 0.402 25284 9113 1 19 . 1 1 81 81 ALA CA C 81 54.389 54.389 54.252 0.137 25284 9114 1 19 . 1 1 81 81 ALA CB C 81 18.824 18.824 18.470 0.354 25284 9115 1 19 . 1 1 81 81 ALA H H 81 7.606 7.606 7.545 0.061 25284 9116 1 19 . 1 1 82 82 LEU N N 82 120.239 120.239 120.764 -0.525 25284 9117 1 19 . 1 1 82 82 LEU HA H 82 4.214 4.214 4.098 0.116 25284 9118 1 19 . 1 1 82 82 LEU C C 82 178.884 178.884 178.122 0.762 25284 9119 1 19 . 1 1 82 82 LEU CA C 82 57.098 57.098 57.390 -0.292 25284 9120 1 19 . 1 1 82 82 LEU CB C 82 42.739 42.739 41.761 0.978 25284 9121 1 19 . 1 1 82 82 LEU H H 82 8.285 8.285 8.133 0.152 25284 9122 1 19 . 1 1 83 83 ALA N N 83 121.614 121.614 121.167 0.447 25284 9123 1 19 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.129 0.170 25284 9124 1 19 . 1 1 83 83 ALA C C 83 178.788 178.788 179.310 -0.522 25284 9125 1 19 . 1 1 83 83 ALA CA C 83 54.049 54.049 54.660 -0.611 25284 9126 1 19 . 1 1 83 83 ALA CB C 83 18.944 18.944 18.278 0.666 25284 9127 1 19 . 1 1 83 83 ALA H H 83 7.973 7.973 8.060 -0.087 25284 9128 1 19 . 1 1 84 84 GLU N N 84 117.412 117.412 118.161 -0.749 25284 9129 1 19 . 1 1 84 84 GLU HA H 84 4.385 4.385 4.178 0.207 25284 9130 1 19 . 1 1 84 84 GLU C C 84 176.406 176.406 178.449 -2.043 25284 9131 1 19 . 1 1 84 84 GLU CA C 84 56.872 56.872 58.171 -1.299 25284 9132 1 19 . 1 1 84 84 GLU CB C 84 29.773 29.773 29.436 0.337 25284 9133 1 19 . 1 1 84 84 GLU H H 84 7.753 7.753 7.790 -0.037 25284 9134 1 19 . 1 1 85 85 ALA N N 85 124.256 124.256 119.917 4.339 25284 9135 1 19 . 1 1 85 85 ALA HA H 85 4.471 4.471 4.189 0.282 25284 9136 1 19 . 1 1 85 85 ALA C C 85 176.625 176.625 177.070 -0.445 25284 9137 1 19 . 1 1 85 85 ALA CA C 85 52.679 52.679 52.271 0.408 25284 9138 1 19 . 1 1 85 85 ALA CB C 85 19.702 19.702 19.364 0.338 25284 9139 1 19 . 1 1 85 85 ALA H H 85 7.832 7.832 7.473 0.359 25284 9140 1 20 . 1 1 2 2 ALA HA H 2 4.279 4.279 4.580 -0.301 25284 9141 1 20 . 1 1 2 2 ALA C C 2 173.785 173.785 177.951 -4.166 25284 9142 1 20 . 1 1 2 2 ALA CA C 2 52.136 52.136 51.793 0.343 25284 9143 1 20 . 1 1 2 2 ALA CB C 2 20.083 20.083 19.644 0.439 25284 9144 1 20 . 1 1 3 3 THR N N 3 117.799 117.799 118.514 -0.715 25284 9145 1 20 . 1 1 3 3 THR HA H 3 4.398 4.398 4.274 0.124 25284 9146 1 20 . 1 1 3 3 THR C C 3 172.979 172.979 173.692 -0.713 25284 9147 1 20 . 1 1 3 3 THR CA C 3 62.907 62.907 62.714 0.193 25284 9148 1 20 . 1 1 3 3 THR CB C 3 70.082 70.082 67.895 2.187 25284 9149 1 20 . 1 1 3 3 THR H H 3 8.703 8.703 8.412 0.291 25284 9150 1 20 . 1 1 4 4 LEU N N 4 124.656 124.656 125.777 -1.121 25284 9151 1 20 . 1 1 4 4 LEU HA H 4 4.373 4.373 4.110 0.263 25284 9152 1 20 . 1 1 4 4 LEU C C 4 177.215 177.215 176.231 0.984 25284 9153 1 20 . 1 1 4 4 LEU CA C 4 54.852 54.852 54.846 0.006 25284 9154 1 20 . 1 1 4 4 LEU CB C 4 42.864 42.864 42.896 -0.032 25284 9155 1 20 . 1 1 4 4 LEU H H 4 8.155 8.155 7.918 0.237 25284 9156 1 20 . 1 1 5 5 LEU N N 5 124.772 124.772 126.226 -1.454 25284 9157 1 20 . 1 1 5 5 LEU HA H 5 4.530 4.530 4.257 0.273 25284 9158 1 20 . 1 1 5 5 LEU C C 5 177.915 177.915 177.025 0.890 25284 9159 1 20 . 1 1 5 5 LEU CA C 5 55.564 55.564 55.594 -0.030 25284 9160 1 20 . 1 1 5 5 LEU CB C 5 42.806 42.806 42.209 0.597 25284 9161 1 20 . 1 1 5 5 LEU H H 5 9.421 9.421 8.415 1.006 25284 9162 1 20 . 1 1 6 6 THR N N 6 115.077 115.077 114.689 0.388 25284 9163 1 20 . 1 1 6 6 THR HA H 6 4.745 4.745 4.575 0.170 25284 9164 1 20 . 1 1 6 6 THR C C 6 175.958 175.958 175.752 0.206 25284 9165 1 20 . 1 1 6 6 THR CA C 6 60.159 60.159 60.724 -0.565 25284 9166 1 20 . 1 1 6 6 THR CB C 6 72.442 72.442 70.095 2.347 25284 9167 1 20 . 1 1 6 6 THR H H 6 9.006 9.006 7.766 1.240 25284 9168 1 20 . 1 1 7 7 THR N N 7 115.895 115.895 113.655 2.240 25284 9169 1 20 . 1 1 7 7 THR HA H 7 3.867 3.867 4.258 -0.391 25284 9170 1 20 . 1 1 7 7 THR C C 7 176.622 176.622 175.608 1.014 25284 9171 1 20 . 1 1 7 7 THR CA C 7 67.331 67.331 65.555 1.776 25284 9172 1 20 . 1 1 7 7 THR CB C 7 68.496 68.496 68.608 -0.112 25284 9173 1 20 . 1 1 7 7 THR H H 7 8.864 8.864 8.490 0.374 25284 9174 1 20 . 1 1 8 8 ASP N N 8 120.253 120.253 121.579 -1.326 25284 9175 1 20 . 1 1 8 8 ASP HA H 8 4.629 4.629 4.611 0.018 25284 9176 1 20 . 1 1 8 8 ASP C C 8 178.593 178.593 177.519 1.074 25284 9177 1 20 . 1 1 8 8 ASP CA C 8 57.740 57.740 57.868 -0.128 25284 9178 1 20 . 1 1 8 8 ASP CB C 8 41.273 41.273 40.906 0.367 25284 9179 1 20 . 1 1 8 8 ASP H H 8 8.289 8.289 7.602 0.687 25284 9180 1 20 . 1 1 9 9 ASP N N 9 120.653 120.653 121.250 -0.597 25284 9181 1 20 . 1 1 9 9 ASP HA H 9 4.560 4.560 4.459 0.101 25284 9182 1 20 . 1 1 9 9 ASP C C 9 179.465 179.465 178.507 0.958 25284 9183 1 20 . 1 1 9 9 ASP CA C 9 57.608 57.608 57.310 0.298 25284 9184 1 20 . 1 1 9 9 ASP CB C 9 41.559 41.559 41.344 0.215 25284 9185 1 20 . 1 1 9 9 ASP H H 9 7.916 7.916 7.796 0.120 25284 9186 1 20 . 1 1 10 10 LEU N N 10 121.585 121.585 120.760 0.825 25284 9187 1 20 . 1 1 10 10 LEU HA H 10 4.216 4.216 4.084 0.132 25284 9188 1 20 . 1 1 10 10 LEU C C 10 177.517 177.517 178.298 -0.781 25284 9189 1 20 . 1 1 10 10 LEU CA C 10 58.031 58.031 58.048 -0.017 25284 9190 1 20 . 1 1 10 10 LEU CB C 10 42.146 42.146 42.129 0.017 25284 9191 1 20 . 1 1 10 10 LEU H H 10 8.086 8.086 7.643 0.443 25284 9192 1 20 . 1 1 11 11 ARG N N 11 120.099 120.099 118.702 1.397 25284 9193 1 20 . 1 1 11 11 ARG HA H 11 3.514 3.514 3.842 -0.328 25284 9194 1 20 . 1 1 11 11 ARG C C 11 177.769 177.769 178.387 -0.618 25284 9195 1 20 . 1 1 11 11 ARG CA C 11 60.715 60.715 59.672 1.043 25284 9196 1 20 . 1 1 11 11 ARG CB C 11 30.775 30.775 29.795 0.980 25284 9197 1 20 . 1 1 11 11 ARG H H 11 8.852 8.852 7.615 1.237 25284 9198 1 20 . 1 1 12 12 ARG N N 12 115.840 115.840 118.587 -2.747 25284 9199 1 20 . 1 1 12 12 ARG HA H 12 4.032 4.032 3.982 0.050 25284 9200 1 20 . 1 1 12 12 ARG C C 12 178.492 178.492 178.644 -0.152 25284 9201 1 20 . 1 1 12 12 ARG CA C 12 59.592 59.592 59.432 0.160 25284 9202 1 20 . 1 1 12 12 ARG CB C 12 30.583 30.583 30.105 0.478 25284 9203 1 20 . 1 1 12 12 ARG H H 12 7.996 7.996 7.895 0.101 25284 9204 1 20 . 1 1 13 13 ALA N N 13 120.184 120.184 121.871 -1.687 25284 9205 1 20 . 1 1 13 13 ALA HA H 13 4.401 4.401 4.214 0.187 25284 9206 1 20 . 1 1 13 13 ALA C C 13 180.114 180.114 179.851 0.263 25284 9207 1 20 . 1 1 13 13 ALA CA C 13 54.938 54.938 54.822 0.116 25284 9208 1 20 . 1 1 13 13 ALA CB C 13 18.756 18.756 18.567 0.189 25284 9209 1 20 . 1 1 13 13 ALA H H 13 7.705 7.705 7.737 -0.032 25284 9210 1 20 . 1 1 14 14 LEU N N 14 119.427 119.427 120.044 -0.617 25284 9211 1 20 . 1 1 14 14 LEU HA H 14 4.424 4.424 4.199 0.225 25284 9212 1 20 . 1 1 14 14 LEU C C 14 179.766 179.766 179.245 0.521 25284 9213 1 20 . 1 1 14 14 LEU CA C 14 57.568 57.568 57.717 -0.149 25284 9214 1 20 . 1 1 14 14 LEU CB C 14 42.039 42.039 42.182 -0.143 25284 9215 1 20 . 1 1 14 14 LEU H H 14 8.424 8.424 8.255 0.169 25284 9216 1 20 . 1 1 15 15 VAL N N 15 121.004 121.004 118.516 2.488 25284 9217 1 20 . 1 1 15 15 VAL HA H 15 3.920 3.920 3.639 0.281 25284 9218 1 20 . 1 1 15 15 VAL C C 15 179.014 179.014 177.846 1.168 25284 9219 1 20 . 1 1 15 15 VAL CA C 15 66.259 66.259 66.574 -0.315 25284 9220 1 20 . 1 1 15 15 VAL CB C 15 32.137 32.137 31.416 0.721 25284 9221 1 20 . 1 1 15 15 VAL H H 15 8.519 8.519 8.040 0.479 25284 9222 1 20 . 1 1 16 16 GLU N N 16 119.984 119.984 117.762 2.222 25284 9223 1 20 . 1 1 16 16 GLU HA H 16 4.206 4.206 4.115 0.091 25284 9224 1 20 . 1 1 16 16 GLU C C 16 178.547 178.547 178.188 0.359 25284 9225 1 20 . 1 1 16 16 GLU CA C 16 59.042 59.042 58.951 0.091 25284 9226 1 20 . 1 1 16 16 GLU CB C 16 29.692 29.692 29.028 0.664 25284 9227 1 20 . 1 1 16 16 GLU H H 16 8.218 8.218 7.758 0.460 25284 9228 1 20 . 1 1 17 17 SER N N 17 113.928 113.928 113.987 -0.059 25284 9229 1 20 . 1 1 17 17 SER HA H 17 4.577 4.577 4.588 -0.011 25284 9230 1 20 . 1 1 17 17 SER C C 17 174.273 174.273 175.727 -1.454 25284 9231 1 20 . 1 1 17 17 SER CA C 17 59.940 59.940 59.782 0.158 25284 9232 1 20 . 1 1 17 17 SER CB C 17 64.378 64.378 63.394 0.984 25284 9233 1 20 . 1 1 17 17 SER H H 17 7.798 7.798 7.643 0.155 25284 9234 1 20 . 1 1 18 18 ALA N N 18 123.357 123.357 123.392 -0.035 25284 9235 1 20 . 1 1 18 18 ALA HA H 18 4.347 4.347 3.939 0.408 25284 9236 1 20 . 1 1 18 18 ALA C C 18 178.292 178.292 179.219 -0.927 25284 9237 1 20 . 1 1 18 18 ALA CA C 18 52.991 52.991 53.829 -0.838 25284 9238 1 20 . 1 1 18 18 ALA CB C 18 19.965 19.965 18.118 1.847 25284 9239 1 20 . 1 1 18 18 ALA H H 18 7.813 7.813 7.669 0.144 25284 9240 1 20 . 1 1 19 19 GLY N N 19 107.711 107.711 105.888 1.823 25284 9241 1 20 . 1 1 19 19 GLY C C 19 174.440 174.440 175.024 -0.584 25284 9242 1 20 . 1 1 19 19 GLY CA C 19 45.650 45.650 46.362 -0.712 25284 9243 1 20 . 1 1 19 19 GLY H H 19 8.256 8.256 7.939 0.317 25284 9244 1 20 . 1 1 20 20 GLU N N 20 120.763 120.763 118.630 2.133 25284 9245 1 20 . 1 1 20 20 GLU HA H 20 4.477 4.477 4.663 -0.186 25284 9246 1 20 . 1 1 20 20 GLU C C 20 176.905 176.905 175.939 0.966 25284 9247 1 20 . 1 1 20 20 GLU CA C 20 56.896 56.896 55.478 1.418 25284 9248 1 20 . 1 1 20 20 GLU CB C 20 30.160 30.160 30.176 -0.016 25284 9249 1 20 . 1 1 20 20 GLU H H 20 8.508 8.508 7.675 0.833 25284 9250 1 20 . 1 1 21 21 THR N N 21 114.316 114.316 114.317 -0.001 25284 9251 1 20 . 1 1 21 21 THR HA H 21 4.529 4.529 4.479 0.050 25284 9252 1 20 . 1 1 21 21 THR C C 21 174.564 174.564 172.845 1.719 25284 9253 1 20 . 1 1 21 21 THR CA C 21 61.942 61.942 60.441 1.501 25284 9254 1 20 . 1 1 21 21 THR CB C 21 70.323 70.323 71.081 -0.758 25284 9255 1 20 . 1 1 21 21 THR H H 21 8.258 8.258 7.390 0.868 25284 9256 1 20 . 1 1 22 22 ASP N N 22 122.479 122.479 123.954 -1.475 25284 9257 1 20 . 1 1 22 22 ASP HA H 22 4.728 4.728 4.772 -0.044 25284 9258 1 20 . 1 1 22 22 ASP C C 22 176.913 176.913 176.466 0.447 25284 9259 1 20 . 1 1 22 22 ASP CA C 22 54.806 54.806 54.516 0.290 25284 9260 1 20 . 1 1 22 22 ASP CB C 22 41.144 41.144 40.761 0.383 25284 9261 1 20 . 1 1 22 22 ASP H H 22 8.506 8.506 8.582 -0.076 25284 9262 1 20 . 1 1 23 23 GLY N N 23 109.608 109.608 111.553 -1.945 25284 9263 1 20 . 1 1 23 23 GLY C C 23 174.806 174.806 174.275 0.531 25284 9264 1 20 . 1 1 23 23 GLY CA C 23 45.969 45.969 45.391 0.578 25284 9265 1 20 . 1 1 23 23 GLY H H 23 8.503 8.503 8.296 0.207 25284 9266 1 20 . 1 1 24 24 THR N N 24 116.205 116.205 116.580 -0.375 25284 9267 1 20 . 1 1 24 24 THR HA H 24 4.333 4.333 4.426 -0.093 25284 9268 1 20 . 1 1 24 24 THR C C 24 174.247 174.247 174.506 -0.259 25284 9269 1 20 . 1 1 24 24 THR CA C 24 63.240 63.240 60.397 2.843 25284 9270 1 20 . 1 1 24 24 THR CB C 24 70.056 70.056 69.782 0.274 25284 9271 1 20 . 1 1 24 24 THR H H 24 8.152 8.152 8.260 -0.108 25284 9272 1 20 . 1 1 25 25 ASP N N 25 124.096 124.096 122.761 1.335 25284 9273 1 20 . 1 1 25 25 ASP HA H 25 4.718 4.718 4.784 -0.066 25284 9274 1 20 . 1 1 25 25 ASP C C 25 176.223 176.223 175.232 0.991 25284 9275 1 20 . 1 1 25 25 ASP CA C 25 54.536 54.536 53.837 0.699 25284 9276 1 20 . 1 1 25 25 ASP CB C 25 41.163 41.163 40.920 0.243 25284 9277 1 20 . 1 1 25 25 ASP H H 25 8.620 8.620 8.532 0.088 25284 9278 1 20 . 1 1 26 26 LEU N N 26 123.934 123.934 127.765 -3.831 25284 9279 1 20 . 1 1 26 26 LEU HA H 26 4.365 4.365 4.362 0.003 25284 9280 1 20 . 1 1 26 26 LEU C C 26 176.356 176.356 174.606 1.750 25284 9281 1 20 . 1 1 26 26 LEU CA C 26 54.374 54.374 54.481 -0.107 25284 9282 1 20 . 1 1 26 26 LEU CB C 26 41.235 41.235 40.745 0.490 25284 9283 1 20 . 1 1 26 26 LEU H H 26 8.482 8.482 8.545 -0.063 25284 9284 1 20 . 1 1 27 27 SER N N 27 115.330 115.330 116.744 -1.414 25284 9285 1 20 . 1 1 27 27 SER HA H 27 4.300 4.300 4.517 -0.217 25284 9286 1 20 . 1 1 27 27 SER C C 27 175.077 175.077 173.466 1.611 25284 9287 1 20 . 1 1 27 27 SER CA C 27 59.917 59.917 57.441 2.476 25284 9288 1 20 . 1 1 27 27 SER CB C 27 64.229 64.229 64.768 -0.539 25284 9289 1 20 . 1 1 27 27 SER H H 27 8.214 8.214 7.741 0.473 25284 9290 1 20 . 1 1 28 28 GLY N N 28 111.630 111.630 109.213 2.417 25284 9291 1 20 . 1 1 28 28 GLY C C 28 174.303 174.303 173.454 0.849 25284 9292 1 20 . 1 1 28 28 GLY CA C 28 45.500 45.500 44.791 0.709 25284 9293 1 20 . 1 1 28 28 GLY H H 28 8.592 8.592 8.223 0.369 25284 9294 1 20 . 1 1 29 29 ASP N N 29 123.552 123.552 123.760 -0.208 25284 9295 1 20 . 1 1 29 29 ASP HA H 29 4.851 4.851 4.819 0.032 25284 9296 1 20 . 1 1 29 29 ASP C C 29 176.494 176.494 176.158 0.336 25284 9297 1 20 . 1 1 29 29 ASP CA C 29 54.312 54.312 53.358 0.954 25284 9298 1 20 . 1 1 29 29 ASP CB C 29 39.771 39.771 40.233 -0.462 25284 9299 1 20 . 1 1 29 29 ASP H H 29 8.690 8.690 8.433 0.257 25284 9300 1 20 . 1 1 30 30 PHE N N 30 122.578 122.578 122.774 -0.196 25284 9301 1 20 . 1 1 30 30 PHE HA H 30 4.764 4.764 4.824 -0.060 25284 9302 1 20 . 1 1 30 30 PHE C C 30 175.529 175.529 175.382 0.147 25284 9303 1 20 . 1 1 30 30 PHE CA C 30 57.493 57.493 56.047 1.446 25284 9304 1 20 . 1 1 30 30 PHE CB C 30 40.639 40.639 38.674 1.965 25284 9305 1 20 . 1 1 30 30 PHE H H 30 8.076 8.076 8.072 0.004 25284 9306 1 20 . 1 1 31 31 LEU N N 31 119.188 119.188 121.942 -2.754 25284 9307 1 20 . 1 1 31 31 LEU HA H 31 3.302 3.302 3.701 -0.399 25284 9308 1 20 . 1 1 31 31 LEU C C 31 176.503 176.503 176.970 -0.467 25284 9309 1 20 . 1 1 31 31 LEU CA C 31 57.940 57.940 56.415 1.525 25284 9310 1 20 . 1 1 31 31 LEU CB C 31 42.218 42.218 40.671 1.547 25284 9311 1 20 . 1 1 31 31 LEU H H 31 7.535 7.535 7.564 -0.029 25284 9312 1 20 . 1 1 32 32 ASP N N 32 112.101 112.101 115.735 -3.634 25284 9313 1 20 . 1 1 32 32 ASP HA H 32 5.047 5.047 4.662 0.385 25284 9314 1 20 . 1 1 32 32 ASP C C 32 176.064 176.064 174.899 1.165 25284 9315 1 20 . 1 1 32 32 ASP CA C 32 53.755 53.755 53.786 -0.031 25284 9316 1 20 . 1 1 32 32 ASP CB C 32 41.824 41.824 42.279 -0.455 25284 9317 1 20 . 1 1 32 32 ASP H H 32 8.087 8.087 7.857 0.230 25284 9318 1 20 . 1 1 33 33 LEU N N 33 122.380 122.380 122.687 -0.307 25284 9319 1 20 . 1 1 33 33 LEU HA H 33 4.309 4.309 4.228 0.081 25284 9320 1 20 . 1 1 33 33 LEU C C 33 174.879 174.879 175.959 -1.080 25284 9321 1 20 . 1 1 33 33 LEU CA C 33 54.566 54.566 54.427 0.139 25284 9322 1 20 . 1 1 33 33 LEU CB C 33 42.528 42.528 42.150 0.378 25284 9323 1 20 . 1 1 33 33 LEU H H 33 7.222 7.222 7.149 0.073 25284 9324 1 20 . 1 1 34 34 ARG N N 34 116.439 116.439 125.466 -9.027 25284 9325 1 20 . 1 1 34 34 ARG HA H 34 4.725 4.725 4.219 0.506 25284 9326 1 20 . 1 1 34 34 ARG C C 34 179.778 179.778 176.997 2.781 25284 9327 1 20 . 1 1 34 34 ARG CA C 34 55.536 55.536 56.853 -1.317 25284 9328 1 20 . 1 1 34 34 ARG CB C 34 30.173 30.173 30.302 -0.129 25284 9329 1 20 . 1 1 34 34 ARG H H 34 8.487 8.487 8.174 0.313 25284 9330 1 20 . 1 1 35 35 PHE N N 35 123.548 123.548 124.032 -0.484 25284 9331 1 20 . 1 1 35 35 PHE HA H 35 4.385 4.385 4.031 0.354 25284 9332 1 20 . 1 1 35 35 PHE C C 35 178.776 178.776 177.784 0.992 25284 9333 1 20 . 1 1 35 35 PHE CA C 35 63.121 63.121 62.812 0.309 25284 9334 1 20 . 1 1 35 35 PHE CB C 35 37.967 37.967 38.431 -0.464 25284 9335 1 20 . 1 1 35 35 PHE H H 35 8.455 8.455 7.911 0.544 25284 9336 1 20 . 1 1 36 36 GLU N N 36 117.380 117.380 116.489 0.891 25284 9337 1 20 . 1 1 36 36 GLU HA H 36 4.358 4.358 4.115 0.243 25284 9338 1 20 . 1 1 36 36 GLU C C 36 178.612 178.612 177.370 1.242 25284 9339 1 20 . 1 1 36 36 GLU CA C 36 59.145 59.145 58.439 0.706 25284 9340 1 20 . 1 1 36 36 GLU CB C 36 29.301 29.301 28.970 0.331 25284 9341 1 20 . 1 1 36 36 GLU H H 36 9.560 9.560 8.813 0.747 25284 9342 1 20 . 1 1 37 37 ASP N N 37 118.596 118.596 120.155 -1.559 25284 9343 1 20 . 1 1 37 37 ASP HA H 37 4.810 4.810 4.551 0.259 25284 9344 1 20 . 1 1 37 37 ASP C C 37 177.993 177.993 177.826 0.167 25284 9345 1 20 . 1 1 37 37 ASP CA C 37 56.474 56.474 55.788 0.686 25284 9346 1 20 . 1 1 37 37 ASP CB C 37 41.411 41.411 42.068 -0.657 25284 9347 1 20 . 1 1 37 37 ASP H H 37 7.546 7.546 7.665 -0.119 25284 9348 1 20 . 1 1 38 38 ILE N N 38 113.080 113.080 113.768 -0.688 25284 9349 1 20 . 1 1 38 38 ILE HA H 38 4.663 4.663 4.386 0.277 25284 9350 1 20 . 1 1 38 38 ILE C C 38 176.140 176.140 175.905 0.235 25284 9351 1 20 . 1 1 38 38 ILE CA C 38 62.038 62.038 60.806 1.232 25284 9352 1 20 . 1 1 38 38 ILE CB C 38 38.755 38.755 37.125 1.630 25284 9353 1 20 . 1 1 38 38 ILE H H 38 7.725 7.725 7.858 -0.133 25284 9354 1 20 . 1 1 39 39 GLY N N 39 107.376 107.376 107.358 0.018 25284 9355 1 20 . 1 1 39 39 GLY C C 39 174.497 174.497 174.383 0.114 25284 9356 1 20 . 1 1 39 39 GLY CA C 39 46.580 46.580 45.391 1.190 25284 9357 1 20 . 1 1 39 39 GLY H H 39 7.736 7.736 7.918 -0.182 25284 9358 1 20 . 1 1 40 40 TYR N N 40 121.883 121.883 120.849 1.034 25284 9359 1 20 . 1 1 40 40 TYR HA H 40 4.583 4.583 4.669 -0.086 25284 9360 1 20 . 1 1 40 40 TYR C C 40 174.479 174.479 174.800 -0.321 25284 9361 1 20 . 1 1 40 40 TYR CA C 40 58.153 58.153 58.394 -0.241 25284 9362 1 20 . 1 1 40 40 TYR CB C 40 40.535 40.535 38.929 1.606 25284 9363 1 20 . 1 1 40 40 TYR H H 40 8.059 8.059 8.601 -0.542 25284 9364 1 20 . 1 1 41 41 ASP N N 41 124.021 124.021 123.888 0.133 25284 9365 1 20 . 1 1 41 41 ASP HA H 41 4.739 4.739 4.820 -0.081 25284 9366 1 20 . 1 1 41 41 ASP C C 41 175.831 175.831 176.999 -1.168 25284 9367 1 20 . 1 1 41 41 ASP CA C 41 52.669 52.669 54.001 -1.331 25284 9368 1 20 . 1 1 41 41 ASP CB C 41 42.015 42.015 43.012 -0.997 25284 9369 1 20 . 1 1 41 41 ASP H H 41 7.992 7.992 8.451 -0.459 25284 9370 1 20 . 1 1 42 42 SER N N 42 114.198 114.198 116.113 -1.915 25284 9371 1 20 . 1 1 42 42 SER HA H 42 4.272 4.272 4.249 0.023 25284 9372 1 20 . 1 1 42 42 SER C C 42 176.102 176.102 176.814 -0.712 25284 9373 1 20 . 1 1 42 42 SER CA C 42 60.657 60.657 61.077 -0.420 25284 9374 1 20 . 1 1 42 42 SER CB C 42 66.110 66.110 62.870 3.240 25284 9375 1 20 . 1 1 43 43 LEU N N 43 124.254 124.254 122.068 2.186 25284 9376 1 20 . 1 1 43 43 LEU HA H 43 4.269 4.269 4.161 0.108 25284 9377 1 20 . 1 1 43 43 LEU C C 43 179.140 179.140 179.166 -0.026 25284 9378 1 20 . 1 1 43 43 LEU CA C 43 58.567 58.567 57.316 1.250 25284 9379 1 20 . 1 1 43 43 LEU CB C 43 41.178 41.178 40.998 0.180 25284 9380 1 20 . 1 1 43 43 LEU H H 43 7.792 7.792 8.232 -0.440 25284 9381 1 20 . 1 1 44 44 ALA N N 44 123.473 123.473 121.693 1.780 25284 9382 1 20 . 1 1 44 44 ALA HA H 44 4.318 4.318 4.152 0.166 25284 9383 1 20 . 1 1 44 44 ALA C C 44 181.903 181.903 180.133 1.770 25284 9384 1 20 . 1 1 44 44 ALA CA C 44 55.068 55.068 54.905 0.163 25284 9385 1 20 . 1 1 44 44 ALA CB C 44 18.556 18.556 18.369 0.187 25284 9386 1 20 . 1 1 44 44 ALA H H 44 8.140 8.140 8.148 -0.008 25284 9387 1 20 . 1 1 45 45 LEU N N 45 121.524 121.524 120.339 1.185 25284 9388 1 20 . 1 1 45 45 LEU HA H 45 3.898 3.898 4.075 -0.177 25284 9389 1 20 . 1 1 45 45 LEU C C 45 179.040 179.040 178.632 0.408 25284 9390 1 20 . 1 1 45 45 LEU CA C 45 58.475 58.475 57.569 0.906 25284 9391 1 20 . 1 1 45 45 LEU CB C 45 41.780 41.780 40.948 0.832 25284 9392 1 20 . 1 1 45 45 LEU H H 45 8.442 8.442 7.690 0.752 25284 9393 1 20 . 1 1 46 46 MET N N 46 119.769 119.769 118.621 1.148 25284 9394 1 20 . 1 1 46 46 MET HA H 46 4.265 4.265 3.898 0.367 25284 9395 1 20 . 1 1 46 46 MET C C 46 180.609 180.609 178.454 2.155 25284 9396 1 20 . 1 1 46 46 MET CA C 46 58.853 58.853 60.087 -1.234 25284 9397 1 20 . 1 1 46 46 MET CB C 46 32.119 32.119 31.959 0.160 25284 9398 1 20 . 1 1 46 46 MET H H 46 8.234 8.234 7.850 0.384 25284 9399 1 20 . 1 1 47 47 GLU N N 47 121.097 121.097 119.617 1.480 25284 9400 1 20 . 1 1 47 47 GLU HA H 47 4.228 4.228 4.058 0.170 25284 9401 1 20 . 1 1 47 47 GLU C C 47 179.333 179.333 179.248 0.085 25284 9402 1 20 . 1 1 47 47 GLU CA C 47 59.644 59.644 59.886 -0.242 25284 9403 1 20 . 1 1 47 47 GLU CB C 47 28.977 28.977 29.487 -0.510 25284 9404 1 20 . 1 1 47 47 GLU H H 47 8.517 8.517 8.372 0.145 25284 9405 1 20 . 1 1 48 48 THR N N 48 118.834 118.834 116.714 2.120 25284 9406 1 20 . 1 1 48 48 THR HA H 48 3.961 3.961 4.092 -0.131 25284 9407 1 20 . 1 1 48 48 THR C C 48 176.348 176.348 176.419 -0.071 25284 9408 1 20 . 1 1 48 48 THR CA C 48 67.842 67.842 66.762 1.080 25284 9409 1 20 . 1 1 48 48 THR CB C 48 68.056 68.056 68.708 -0.652 25284 9410 1 20 . 1 1 48 48 THR H H 48 8.325 8.325 7.953 0.372 25284 9411 1 20 . 1 1 49 49 ALA N N 49 123.924 123.924 123.061 0.863 25284 9412 1 20 . 1 1 49 49 ALA HA H 49 3.926 3.926 4.021 -0.095 25284 9413 1 20 . 1 1 49 49 ALA C C 49 178.608 178.608 179.360 -0.752 25284 9414 1 20 . 1 1 49 49 ALA CA C 49 56.247 56.247 55.011 1.236 25284 9415 1 20 . 1 1 49 49 ALA CB C 49 17.569 17.569 18.087 -0.518 25284 9416 1 20 . 1 1 49 49 ALA H H 49 8.747 8.747 8.301 0.446 25284 9417 1 20 . 1 1 50 50 ALA N N 50 119.691 119.691 120.659 -0.968 25284 9418 1 20 . 1 1 50 50 ALA HA H 50 4.269 4.269 4.305 -0.036 25284 9419 1 20 . 1 1 50 50 ALA C C 50 181.310 181.310 179.374 1.936 25284 9420 1 20 . 1 1 50 50 ALA CA C 50 55.422 55.422 54.946 0.476 25284 9421 1 20 . 1 1 50 50 ALA CB C 50 18.171 18.171 18.404 -0.233 25284 9422 1 20 . 1 1 50 50 ALA H H 50 8.245 8.245 8.721 -0.476 25284 9423 1 20 . 1 1 51 51 ARG N N 51 119.913 119.913 117.994 1.919 25284 9424 1 20 . 1 1 51 51 ARG HA H 51 4.247 4.247 4.133 0.114 25284 9425 1 20 . 1 1 51 51 ARG C C 51 179.808 179.808 178.180 1.628 25284 9426 1 20 . 1 1 51 51 ARG CA C 51 59.673 59.673 58.555 1.118 25284 9427 1 20 . 1 1 51 51 ARG CB C 51 30.539 30.539 29.747 0.792 25284 9428 1 20 . 1 1 51 51 ARG H H 51 8.129 8.129 7.693 0.436 25284 9429 1 20 . 1 1 52 52 LEU N N 52 120.624 120.624 119.471 1.153 25284 9430 1 20 . 1 1 52 52 LEU HA H 52 4.319 4.319 4.265 0.054 25284 9431 1 20 . 1 1 52 52 LEU C C 52 179.192 179.192 178.724 0.468 25284 9432 1 20 . 1 1 52 52 LEU CA C 52 58.253 58.253 57.448 0.805 25284 9433 1 20 . 1 1 52 52 LEU CB C 52 42.812 42.812 41.958 0.854 25284 9434 1 20 . 1 1 52 52 LEU H H 52 8.423 8.423 7.694 0.729 25284 9435 1 20 . 1 1 53 53 GLU N N 53 119.779 119.779 120.757 -0.978 25284 9436 1 20 . 1 1 53 53 GLU HA H 53 4.108 4.108 3.990 0.118 25284 9437 1 20 . 1 1 53 53 GLU C C 53 179.388 179.388 179.410 -0.022 25284 9438 1 20 . 1 1 53 53 GLU CA C 53 60.211 60.211 60.252 -0.042 25284 9439 1 20 . 1 1 53 53 GLU CB C 53 29.143 29.143 29.514 -0.371 25284 9440 1 20 . 1 1 53 53 GLU H H 53 8.974 8.974 8.880 0.094 25284 9441 1 20 . 1 1 54 54 SER N N 54 113.169 113.169 112.984 0.185 25284 9442 1 20 . 1 1 54 54 SER HA H 54 4.384 4.384 4.362 0.022 25284 9443 1 20 . 1 1 54 54 SER C C 54 176.953 176.953 175.504 1.449 25284 9444 1 20 . 1 1 54 54 SER CA C 54 61.279 61.279 61.577 -0.298 25284 9445 1 20 . 1 1 54 54 SER CB C 54 63.402 63.402 63.186 0.216 25284 9446 1 20 . 1 1 54 54 SER H H 54 8.037 8.037 8.254 -0.217 25284 9447 1 20 . 1 1 55 55 ARG N N 55 120.851 120.851 119.887 0.964 25284 9448 1 20 . 1 1 55 55 ARG HA H 55 4.100 4.100 4.185 -0.085 25284 9449 1 20 . 1 1 55 55 ARG C C 55 177.905 177.905 177.131 0.774 25284 9450 1 20 . 1 1 55 55 ARG CA C 55 58.949 58.949 58.008 0.941 25284 9451 1 20 . 1 1 55 55 ARG CB C 55 30.896 30.896 30.696 0.200 25284 9452 1 20 . 1 1 55 55 ARG H H 55 8.099 8.099 7.451 0.648 25284 9453 1 20 . 1 1 56 56 TYR N N 56 113.669 113.669 115.836 -2.167 25284 9454 1 20 . 1 1 56 56 TYR HA H 56 4.687 4.687 4.589 0.098 25284 9455 1 20 . 1 1 56 56 TYR C C 56 176.069 176.069 175.884 0.185 25284 9456 1 20 . 1 1 56 56 TYR CA C 56 59.055 59.055 58.258 0.797 25284 9457 1 20 . 1 1 56 56 TYR CB C 56 39.465 39.465 39.833 -0.368 25284 9458 1 20 . 1 1 56 56 TYR H H 56 8.158 8.158 8.023 0.135 25284 9459 1 20 . 1 1 57 57 GLY N N 57 109.856 109.856 109.422 0.434 25284 9460 1 20 . 1 1 57 57 GLY C C 57 174.642 174.642 174.146 0.496 25284 9461 1 20 . 1 1 57 57 GLY CA C 57 47.476 47.476 44.994 2.482 25284 9462 1 20 . 1 1 57 57 GLY H H 57 7.982 7.982 8.347 -0.365 25284 9463 1 20 . 1 1 58 58 VAL N N 58 112.572 112.572 114.169 -1.597 25284 9464 1 20 . 1 1 58 58 VAL HA H 58 4.676 4.676 4.670 0.006 25284 9465 1 20 . 1 1 58 58 VAL C C 58 174.069 174.069 173.370 0.699 25284 9466 1 20 . 1 1 58 58 VAL CA C 58 59.313 59.313 59.157 0.156 25284 9467 1 20 . 1 1 58 58 VAL CB C 58 34.744 34.744 34.606 0.138 25284 9468 1 20 . 1 1 58 58 VAL H H 58 7.497 7.497 7.784 -0.287 25284 9469 1 20 . 1 1 59 59 SER N N 59 117.179 117.179 114.257 2.922 25284 9470 1 20 . 1 1 59 59 SER HA H 59 4.846 4.846 4.863 -0.017 25284 9471 1 20 . 1 1 59 59 SER C C 59 173.699 173.699 173.080 0.619 25284 9472 1 20 . 1 1 59 59 SER CA C 59 57.401 57.401 57.369 0.032 25284 9473 1 20 . 1 1 59 59 SER CB C 59 64.502 64.502 64.680 -0.178 25284 9474 1 20 . 1 1 59 59 SER H H 59 8.489 8.489 8.046 0.443 25284 9475 1 20 . 1 1 60 60 ILE N N 60 125.858 125.858 127.065 -1.207 25284 9476 1 20 . 1 1 60 60 ILE HA H 60 4.651 4.651 4.546 0.105 25284 9477 1 20 . 1 1 60 60 ILE CA C 60 57.694 57.694 58.310 -0.616 25284 9478 1 20 . 1 1 60 60 ILE CB C 60 40.500 40.500 40.506 -0.006 25284 9479 1 20 . 1 1 60 60 ILE H H 60 8.222 8.222 9.221 -0.999 25284 9480 1 20 . 1 1 61 61 PRO HA H 61 4.530 4.530 4.487 0.043 25284 9481 1 20 . 1 1 61 61 PRO C C 61 177.512 177.512 176.932 0.580 25284 9482 1 20 . 1 1 61 61 PRO CA C 61 63.561 63.561 62.828 0.733 25284 9483 1 20 . 1 1 61 61 PRO CB C 61 32.770 32.770 32.387 0.383 25284 9484 1 20 . 1 1 62 62 ASP N N 62 123.459 123.459 123.182 0.277 25284 9485 1 20 . 1 1 62 62 ASP HA H 62 4.449 4.449 4.198 0.251 25284 9486 1 20 . 1 1 62 62 ASP C C 62 177.284 177.284 178.232 -0.948 25284 9487 1 20 . 1 1 62 62 ASP CA C 62 57.112 57.112 58.250 -1.138 25284 9488 1 20 . 1 1 62 62 ASP CB C 62 40.740 40.740 40.759 -0.019 25284 9489 1 20 . 1 1 62 62 ASP H H 62 8.831 8.831 8.758 0.073 25284 9490 1 20 . 1 1 63 63 ASP N N 63 116.794 116.794 117.294 -0.500 25284 9491 1 20 . 1 1 63 63 ASP HA H 63 4.529 4.529 4.433 0.096 25284 9492 1 20 . 1 1 63 63 ASP C C 63 177.294 177.294 177.825 -0.531 25284 9493 1 20 . 1 1 63 63 ASP CA C 63 54.956 54.956 56.403 -1.446 25284 9494 1 20 . 1 1 63 63 ASP CB C 63 39.687 39.687 40.778 -1.091 25284 9495 1 20 . 1 1 63 63 ASP H H 63 8.617 8.617 8.436 0.181 25284 9496 1 20 . 1 1 64 64 VAL N N 64 119.209 119.209 118.386 0.823 25284 9497 1 20 . 1 1 64 64 VAL HA H 64 3.812 3.812 3.831 -0.019 25284 9498 1 20 . 1 1 64 64 VAL C C 64 177.556 177.556 177.304 0.252 25284 9499 1 20 . 1 1 64 64 VAL CA C 64 65.179 65.179 64.221 0.958 25284 9500 1 20 . 1 1 64 64 VAL CB C 64 32.413 32.413 31.888 0.525 25284 9501 1 20 . 1 1 64 64 VAL H H 64 7.407 7.407 7.739 -0.332 25284 9502 1 20 . 1 1 65 65 ALA N N 65 122.418 122.418 123.557 -1.139 25284 9503 1 20 . 1 1 65 65 ALA HA H 65 3.987 3.987 4.141 -0.154 25284 9504 1 20 . 1 1 65 65 ALA C C 65 177.994 177.994 178.386 -0.392 25284 9505 1 20 . 1 1 65 65 ALA CA C 65 54.842 54.842 55.035 -0.193 25284 9506 1 20 . 1 1 65 65 ALA CB C 65 18.522 18.522 18.586 -0.064 25284 9507 1 20 . 1 1 65 65 ALA H H 65 8.246 8.246 7.416 0.830 25284 9508 1 20 . 1 1 66 66 GLY N N 66 100.378 100.378 103.592 -3.214 25284 9509 1 20 . 1 1 66 66 GLY C C 66 174.387 174.387 174.165 0.222 25284 9510 1 20 . 1 1 66 66 GLY CA C 66 46.015 46.015 44.435 1.580 25284 9511 1 20 . 1 1 66 66 GLY H H 66 8.021 8.021 7.821 0.200 25284 9512 1 20 . 1 1 67 67 ARG N N 67 116.838 116.838 120.242 -3.404 25284 9513 1 20 . 1 1 67 67 ARG HA H 67 4.623 4.623 4.508 0.115 25284 9514 1 20 . 1 1 67 67 ARG C C 67 176.509 176.509 175.641 0.868 25284 9515 1 20 . 1 1 67 67 ARG CA C 67 55.883 55.883 55.650 0.233 25284 9516 1 20 . 1 1 67 67 ARG CB C 67 31.911 31.911 31.280 0.631 25284 9517 1 20 . 1 1 67 67 ARG H H 67 7.483 7.483 7.579 -0.096 25284 9518 1 20 . 1 1 68 68 VAL N N 68 114.649 114.649 115.546 -0.897 25284 9519 1 20 . 1 1 68 68 VAL HA H 68 4.468 4.468 4.493 -0.025 25284 9520 1 20 . 1 1 68 68 VAL C C 68 175.192 175.192 174.628 0.564 25284 9521 1 20 . 1 1 68 68 VAL CA C 68 61.819 61.819 60.275 1.544 25284 9522 1 20 . 1 1 68 68 VAL CB C 68 33.624 33.624 33.925 -0.301 25284 9523 1 20 . 1 1 68 68 VAL H H 68 7.284 7.284 7.407 -0.123 25284 9524 1 20 . 1 1 69 69 ASP N N 69 120.972 120.972 119.371 1.601 25284 9525 1 20 . 1 1 69 69 ASP HA H 69 5.264 5.264 4.887 0.377 25284 9526 1 20 . 1 1 69 69 ASP C C 69 176.970 176.970 175.975 0.995 25284 9527 1 20 . 1 1 69 69 ASP CA C 69 55.811 55.811 55.649 0.162 25284 9528 1 20 . 1 1 69 69 ASP CB C 69 44.441 44.441 43.044 1.397 25284 9529 1 20 . 1 1 69 69 ASP H H 69 9.167 9.167 8.897 0.270 25284 9530 1 20 . 1 1 70 70 THR N N 70 108.311 108.311 111.867 -3.556 25284 9531 1 20 . 1 1 70 70 THR HA H 70 4.939 4.939 4.723 0.216 25284 9532 1 20 . 1 1 70 70 THR CA C 70 57.823 57.823 58.821 -0.998 25284 9533 1 20 . 1 1 70 70 THR CB C 70 71.412 71.412 69.671 1.741 25284 9534 1 20 . 1 1 70 70 THR H H 70 7.477 7.477 8.653 -1.176 25284 9535 1 20 . 1 1 71 71 PRO HA H 71 4.235 4.235 4.519 -0.284 25284 9536 1 20 . 1 1 71 71 PRO C C 71 177.422 177.422 177.564 -0.142 25284 9537 1 20 . 1 1 71 71 PRO CA C 71 66.002 66.002 65.540 0.462 25284 9538 1 20 . 1 1 71 71 PRO CB C 71 32.686 32.686 31.514 1.172 25284 9539 1 20 . 1 1 72 72 ARG N N 72 117.972 117.972 117.256 0.716 25284 9540 1 20 . 1 1 72 72 ARG HA H 72 3.609 3.609 3.967 -0.358 25284 9541 1 20 . 1 1 72 72 ARG C C 72 177.616 177.616 178.391 -0.775 25284 9542 1 20 . 1 1 72 72 ARG CA C 72 60.243 60.243 59.275 0.968 25284 9543 1 20 . 1 1 72 72 ARG CB C 72 30.524 30.524 29.295 1.229 25284 9544 1 20 . 1 1 72 72 ARG H H 72 9.016 9.016 7.715 1.301 25284 9545 1 20 . 1 1 73 73 GLU N N 73 116.790 116.790 120.049 -3.259 25284 9546 1 20 . 1 1 73 73 GLU HA H 73 4.242 4.242 4.132 0.110 25284 9547 1 20 . 1 1 73 73 GLU C C 73 180.200 180.200 178.784 1.416 25284 9548 1 20 . 1 1 73 73 GLU CA C 73 59.226 59.226 58.644 0.582 25284 9549 1 20 . 1 1 73 73 GLU CB C 73 30.069 30.069 29.430 0.639 25284 9550 1 20 . 1 1 73 73 GLU H H 73 7.838 7.838 7.820 0.018 25284 9551 1 20 . 1 1 74 74 LEU N N 74 120.656 120.656 122.203 -1.547 25284 9552 1 20 . 1 1 74 74 LEU HA H 74 4.313 4.313 4.018 0.295 25284 9553 1 20 . 1 1 74 74 LEU C C 74 177.023 177.023 178.224 -1.201 25284 9554 1 20 . 1 1 74 74 LEU CA C 74 58.179 58.179 57.855 0.324 25284 9555 1 20 . 1 1 74 74 LEU CB C 74 42.292 42.292 42.196 0.096 25284 9556 1 20 . 1 1 74 74 LEU H H 74 7.703 7.703 7.430 0.273 25284 9557 1 20 . 1 1 75 75 LEU N N 75 121.434 121.434 119.328 2.106 25284 9558 1 20 . 1 1 75 75 LEU HA H 75 3.894 3.894 3.962 -0.068 25284 9559 1 20 . 1 1 75 75 LEU C C 75 178.169 178.169 177.737 0.432 25284 9560 1 20 . 1 1 75 75 LEU CA C 75 58.562 58.562 57.960 0.602 25284 9561 1 20 . 1 1 75 75 LEU CB C 75 42.408 42.408 41.680 0.728 25284 9562 1 20 . 1 1 75 75 LEU H H 75 8.743 8.743 8.270 0.473 25284 9563 1 20 . 1 1 76 76 ASP N N 76 117.849 117.849 119.550 -1.701 25284 9564 1 20 . 1 1 76 76 ASP HA H 76 4.488 4.488 4.372 0.116 25284 9565 1 20 . 1 1 76 76 ASP C C 76 180.127 180.127 178.707 1.420 25284 9566 1 20 . 1 1 76 76 ASP CA C 76 57.487 57.487 57.459 0.028 25284 9567 1 20 . 1 1 76 76 ASP CB C 76 40.085 40.085 40.827 -0.742 25284 9568 1 20 . 1 1 76 76 ASP H H 76 8.711 8.711 7.725 0.986 25284 9569 1 20 . 1 1 77 77 LEU N N 77 123.252 123.252 120.527 2.725 25284 9570 1 20 . 1 1 77 77 LEU HA H 77 4.303 4.303 4.026 0.278 25284 9571 1 20 . 1 1 77 77 LEU C C 77 180.621 180.621 179.055 1.566 25284 9572 1 20 . 1 1 77 77 LEU CA C 77 58.439 58.439 57.733 0.706 25284 9573 1 20 . 1 1 77 77 LEU CB C 77 42.905 42.905 41.926 0.979 25284 9574 1 20 . 1 1 77 77 LEU H H 77 8.009 8.009 7.528 0.481 25284 9575 1 20 . 1 1 78 78 ILE N N 78 120.216 120.216 120.610 -0.394 25284 9576 1 20 . 1 1 78 78 ILE HA H 78 3.750 3.750 3.592 0.158 25284 9577 1 20 . 1 1 78 78 ILE C C 78 177.713 177.713 178.368 -0.655 25284 9578 1 20 . 1 1 78 78 ILE CA C 78 64.757 64.757 64.434 0.323 25284 9579 1 20 . 1 1 78 78 ILE CB C 78 37.402 37.402 36.503 0.899 25284 9580 1 20 . 1 1 78 78 ILE H H 78 8.294 8.294 8.103 0.191 25284 9581 1 20 . 1 1 79 79 ASN N N 79 118.191 118.191 118.170 0.021 25284 9582 1 20 . 1 1 79 79 ASN HA H 79 4.912 4.912 4.451 0.461 25284 9583 1 20 . 1 1 79 79 ASN C C 79 179.524 179.524 178.217 1.307 25284 9584 1 20 . 1 1 79 79 ASN CA C 79 55.473 55.473 56.064 -0.591 25284 9585 1 20 . 1 1 79 79 ASN CB C 79 37.331 37.331 37.815 -0.484 25284 9586 1 20 . 1 1 79 79 ASN H H 79 8.887 8.887 8.544 0.343 25284 9587 1 20 . 1 1 80 80 GLY N N 80 110.387 110.387 108.232 2.155 25284 9588 1 20 . 1 1 80 80 GLY C C 80 175.783 175.783 175.403 0.380 25284 9589 1 20 . 1 1 80 80 GLY CA C 80 47.166 47.166 46.833 0.333 25284 9590 1 20 . 1 1 80 80 GLY H H 80 8.436 8.436 8.082 0.354 25284 9591 1 20 . 1 1 81 81 ALA N N 81 124.420 124.420 124.039 0.381 25284 9592 1 20 . 1 1 81 81 ALA HA H 81 4.460 4.460 4.294 0.166 25284 9593 1 20 . 1 1 81 81 ALA C C 81 179.892 179.892 179.534 0.358 25284 9594 1 20 . 1 1 81 81 ALA CA C 81 54.389 54.389 54.201 0.188 25284 9595 1 20 . 1 1 81 81 ALA CB C 81 18.824 18.824 18.477 0.347 25284 9596 1 20 . 1 1 81 81 ALA H H 81 7.606 7.606 7.925 -0.319 25284 9597 1 20 . 1 1 82 82 LEU N N 82 120.239 120.239 120.286 -0.047 25284 9598 1 20 . 1 1 82 82 LEU HA H 82 4.214 4.214 4.110 0.104 25284 9599 1 20 . 1 1 82 82 LEU C C 82 178.884 178.884 177.934 0.950 25284 9600 1 20 . 1 1 82 82 LEU CA C 82 57.098 57.098 56.885 0.213 25284 9601 1 20 . 1 1 82 82 LEU CB C 82 42.739 42.739 42.007 0.732 25284 9602 1 20 . 1 1 82 82 LEU H H 82 8.285 8.285 8.031 0.254 25284 9603 1 20 . 1 1 83 83 ALA N N 83 121.614 121.614 121.281 0.333 25284 9604 1 20 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.133 0.167 25284 9605 1 20 . 1 1 83 83 ALA C C 83 178.788 178.788 178.696 0.092 25284 9606 1 20 . 1 1 83 83 ALA CA C 83 54.049 54.049 54.559 -0.510 25284 9607 1 20 . 1 1 83 83 ALA CB C 83 18.944 18.944 18.328 0.616 25284 9608 1 20 . 1 1 83 83 ALA H H 83 7.973 7.973 7.966 0.007 25284 9609 1 20 . 1 1 84 84 GLU N N 84 117.412 117.412 118.207 -0.795 25284 9610 1 20 . 1 1 84 84 GLU HA H 84 4.385 4.385 4.288 0.097 25284 9611 1 20 . 1 1 84 84 GLU C C 84 176.406 176.406 176.874 -0.468 25284 9612 1 20 . 1 1 84 84 GLU CA C 84 56.872 56.872 56.958 -0.085 25284 9613 1 20 . 1 1 84 84 GLU CB C 84 29.773 29.773 29.402 0.371 25284 9614 1 20 . 1 1 84 84 GLU H H 84 7.753 7.753 7.846 -0.093 25284 9615 1 20 . 1 1 85 85 ALA N N 85 124.256 124.256 120.901 3.355 25284 9616 1 20 . 1 1 85 85 ALA HA H 85 4.471 4.471 4.390 0.081 25284 9617 1 20 . 1 1 85 85 ALA C C 85 176.625 176.625 177.020 -0.395 25284 9618 1 20 . 1 1 85 85 ALA CA C 85 52.679 52.679 52.358 0.321 25284 9619 1 20 . 1 1 85 85 ALA CB C 85 19.702 19.702 19.951 -0.249 25284 9620 1 20 . 1 1 85 85 ALA H H 85 7.832 7.832 7.684 0.148 25284 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 81 2.005 0.214 2.006 25284 2 1 1 "Average Difference" HA 91 0.232 -0.101 0.209 25284 3 1 1 "Average Difference" C 82 0.994 -0.334 0.941 25284 4 1 1 "Average Difference" CA 84 0.830 -0.356 0.754 25284 5 1 1 "Average Difference" CB 77 0.873 -0.305 0.823 25284 6 1 1 "Average Difference" HN 80 0.470 -0.136 0.452 25284 7 1 2 "Average Difference" N 81 1.932 -0.112 1.941 25284 8 1 2 "Average Difference" HA 91 0.238 -0.109 0.213 25284 9 1 2 "Average Difference" C 82 1.066 -0.269 1.038 25284 10 1 2 "Average Difference" CA 84 0.814 -0.359 0.735 25284 11 1 2 "Average Difference" CB 77 0.974 -0.304 0.931 25284 12 1 2 "Average Difference" HN 80 0.494 -0.187 0.460 25284 13 1 3 "Average Difference" N 81 2.053 -0.069 2.065 25284 14 1 3 "Average Difference" HA 91 0.245 -0.081 0.232 25284 15 1 3 "Average Difference" C 82 0.962 -0.331 0.908 25284 16 1 3 "Average Difference" CA 84 0.919 -0.373 0.845 25284 17 1 3 "Average Difference" CB 77 1.059 -0.350 1.006 25284 18 1 3 "Average Difference" HN 80 0.448 -0.154 0.423 25284 19 1 4 "Average Difference" N 81 2.007 0.110 2.017 25284 20 1 4 "Average Difference" HA 91 0.261 -0.125 0.231 25284 21 1 4 "Average Difference" C 82 1.087 -0.329 1.042 25284 22 1 4 "Average Difference" CA 84 0.827 -0.276 0.784 25284 23 1 4 "Average Difference" CB 77 0.992 -0.379 0.923 25284 24 1 4 "Average Difference" HN 80 0.447 -0.208 0.398 25284 25 1 5 "Average Difference" N 81 2.024 0.332 2.009 25284 26 1 5 "Average Difference" HA 91 0.249 -0.127 0.216 25284 27 1 5 "Average Difference" C 82 0.979 -0.193 0.966 25284 28 1 5 "Average Difference" CA 84 0.907 -0.312 0.857 25284 29 1 5 "Average Difference" CB 77 1.014 -0.460 0.909 25284 30 1 5 "Average Difference" HN 80 0.489 -0.177 0.459 25284 31 1 6 "Average Difference" N 81 2.322 -0.032 2.337 25284 32 1 6 "Average Difference" HA 91 0.225 -0.106 0.199 25284 33 1 6 "Average Difference" C 82 1.109 -0.277 1.081 25284 34 1 6 "Average Difference" CA 84 0.884 -0.344 0.819 25284 35 1 6 "Average Difference" CB 77 1.031 -0.381 0.965 25284 36 1 6 "Average Difference" HN 80 0.412 -0.141 0.390 25284 37 1 7 "Average Difference" N 81 1.775 0.165 1.779 25284 38 1 7 "Average Difference" HA 91 0.257 -0.114 0.231 25284 39 1 7 "Average Difference" C 82 1.016 -0.234 0.994 25284 40 1 7 "Average Difference" CA 84 0.831 -0.310 0.776 25284 41 1 7 "Average Difference" CB 77 0.940 -0.402 0.855 25284 42 1 7 "Average Difference" HN 80 0.469 -0.156 0.445 25284 43 1 8 "Average Difference" N 81 2.100 -0.120 2.109 25284 44 1 8 "Average Difference" HA 91 0.239 -0.118 0.209 25284 45 1 8 "Average Difference" C 82 0.911 -0.304 0.864 25284 46 1 8 "Average Difference" CA 84 0.856 -0.322 0.798 25284 47 1 8 "Average Difference" CB 77 0.911 -0.358 0.843 25284 48 1 8 "Average Difference" HN 80 0.459 -0.159 0.434 25284 49 1 9 "Average Difference" N 81 2.117 0.134 2.126 25284 50 1 9 "Average Difference" HA 91 0.242 -0.112 0.215 25284 51 1 9 "Average Difference" C 82 1.077 -0.211 1.062 25284 52 1 9 "Average Difference" CA 84 0.928 -0.331 0.872 25284 53 1 9 "Average Difference" CB 77 1.081 -0.468 0.981 25284 54 1 9 "Average Difference" HN 80 0.425 -0.177 0.389 25284 55 1 10 "Average Difference" N 81 1.902 0.214 1.902 25284 56 1 10 "Average Difference" HA 91 0.258 -0.132 0.223 25284 57 1 10 "Average Difference" C 82 0.983 -0.334 0.930 25284 58 1 10 "Average Difference" CA 84 0.800 -0.281 0.753 25284 59 1 10 "Average Difference" CB 77 0.868 -0.281 0.826 25284 60 1 10 "Average Difference" HN 80 0.423 -0.137 0.403 25284 61 1 11 "Average Difference" N 81 2.022 0.399 1.995 25284 62 1 11 "Average Difference" HA 91 0.226 -0.116 0.195 25284 63 1 11 "Average Difference" C 82 1.008 -0.251 0.982 25284 64 1 11 "Average Difference" CA 84 0.775 -0.274 0.729 25284 65 1 11 "Average Difference" CB 77 0.932 -0.417 0.839 25284 66 1 11 "Average Difference" HN 80 0.403 -0.099 0.394 25284 67 1 12 "Average Difference" N 81 2.235 0.031 2.248 25284 68 1 12 "Average Difference" HA 91 0.242 -0.098 0.223 25284 69 1 12 "Average Difference" C 82 0.993 -0.210 0.977 25284 70 1 12 "Average Difference" CA 84 0.955 -0.347 0.895 25284 71 1 12 "Average Difference" CB 77 0.907 -0.394 0.823 25284 72 1 12 "Average Difference" HN 80 0.412 -0.185 0.370 25284 73 1 13 "Average Difference" N 81 1.950 0.240 1.947 25284 74 1 13 "Average Difference" HA 91 0.253 -0.110 0.229 25284 75 1 13 "Average Difference" C 82 0.994 -0.197 0.980 25284 76 1 13 "Average Difference" CA 84 0.815 -0.266 0.775 25284 77 1 13 "Average Difference" CB 77 0.970 -0.359 0.907 25284 78 1 13 "Average Difference" HN 80 0.429 -0.072 0.426 25284 79 1 14 "Average Difference" N 81 2.238 0.034 2.252 25284 80 1 14 "Average Difference" HA 91 0.248 -0.118 0.219 25284 81 1 14 "Average Difference" C 82 0.985 -0.329 0.935 25284 82 1 14 "Average Difference" CA 84 0.839 -0.311 0.784 25284 83 1 14 "Average Difference" CB 77 1.060 -0.432 0.975 25284 84 1 14 "Average Difference" HN 80 0.421 -0.174 0.386 25284 85 1 15 "Average Difference" N 81 2.037 0.153 2.044 25284 86 1 15 "Average Difference" HA 91 0.229 -0.105 0.204 25284 87 1 15 "Average Difference" C 82 1.030 -0.359 0.972 25284 88 1 15 "Average Difference" CA 84 0.785 -0.336 0.713 25284 89 1 15 "Average Difference" CB 77 0.982 -0.255 0.954 25284 90 1 15 "Average Difference" HN 80 0.437 -0.165 0.408 25284 91 1 16 "Average Difference" N 81 2.090 0.024 2.103 25284 92 1 16 "Average Difference" HA 91 0.247 -0.110 0.222 25284 93 1 16 "Average Difference" C 82 1.035 -0.366 0.974 25284 94 1 16 "Average Difference" CA 84 0.804 -0.326 0.740 25284 95 1 16 "Average Difference" CB 77 0.980 -0.316 0.934 25284 96 1 16 "Average Difference" HN 80 0.455 -0.174 0.422 25284 97 1 17 "Average Difference" N 81 2.093 0.283 2.086 25284 98 1 17 "Average Difference" HA 91 0.234 -0.114 0.206 25284 99 1 17 "Average Difference" C 82 0.989 -0.367 0.924 25284 100 1 17 "Average Difference" CA 84 0.816 -0.348 0.742 25284 101 1 17 "Average Difference" CB 77 0.957 -0.440 0.856 25284 102 1 17 "Average Difference" HN 80 0.461 -0.153 0.438 25284 103 1 18 "Average Difference" N 81 2.178 0.204 2.182 25284 104 1 18 "Average Difference" HA 91 0.245 -0.142 0.201 25284 105 1 18 "Average Difference" C 82 0.992 -0.150 0.986 25284 106 1 18 "Average Difference" CA 84 0.777 -0.234 0.745 25284 107 1 18 "Average Difference" CB 77 0.927 -0.441 0.821 25284 108 1 18 "Average Difference" HN 80 0.499 -0.162 0.475 25284 109 1 19 "Average Difference" N 81 2.107 -0.125 2.117 25284 110 1 19 "Average Difference" HA 91 0.249 -0.125 0.216 25284 111 1 19 "Average Difference" C 82 0.962 -0.300 0.920 25284 112 1 19 "Average Difference" CA 84 0.817 -0.312 0.760 25284 113 1 19 "Average Difference" CB 77 0.902 -0.322 0.848 25284 114 1 19 "Average Difference" HN 80 0.461 -0.155 0.437 25284 115 1 20 "Average Difference" N 81 1.969 0.190 1.972 25284 116 1 20 "Average Difference" HA 91 0.225 -0.099 0.203 25284 117 1 20 "Average Difference" C 82 1.055 -0.339 1.005 25284 118 1 20 "Average Difference" CA 84 0.916 -0.369 0.844 25284 119 1 20 "Average Difference" CB 77 0.894 -0.385 0.813 25284 120 1 20 "Average Difference" HN 80 0.492 -0.210 0.448 25284 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 25284 _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 ALA HA H 2 4.279 4.279 4.557 -0.278 25284 2 1 . 1 1 2 2 ALA C C 2 173.785 173.785 177.245 -3.460 25284 3 1 . 1 1 2 2 ALA CA C 2 52.136 52.136 52.296 -0.160 25284 4 1 . 1 1 2 2 ALA CB C 2 20.083 20.083 19.548 0.535 25284 5 1 . 1 1 3 3 THR N N 3 117.799 117.799 116.626 1.173 25284 6 1 . 1 1 3 3 THR HA H 3 4.398 4.398 4.323 0.075 25284 7 1 . 1 1 3 3 THR C C 3 172.979 172.979 173.591 -0.612 25284 8 1 . 1 1 3 3 THR CA C 3 62.907 62.907 62.223 0.684 25284 9 1 . 1 1 3 3 THR CB C 3 70.082 70.082 68.460 1.622 25284 10 1 . 1 1 3 3 THR H H 3 8.703 8.703 8.322 0.381 25284 11 1 . 1 1 4 4 LEU N N 4 124.656 124.656 124.948 -0.292 25284 12 1 . 1 1 4 4 LEU HA H 4 4.373 4.373 4.361 0.012 25284 13 1 . 1 1 4 4 LEU C C 4 177.215 177.215 175.768 1.447 25284 14 1 . 1 1 4 4 LEU CA C 4 54.852 54.852 54.056 0.796 25284 15 1 . 1 1 4 4 LEU CB C 4 42.864 42.864 43.693 -0.829 25284 16 1 . 1 1 4 4 LEU H H 4 8.155 8.155 7.900 0.255 25284 17 1 . 1 1 5 5 LEU N N 5 124.772 124.772 126.561 -1.789 25284 18 1 . 1 1 5 5 LEU HA H 5 4.530 4.530 4.318 0.212 25284 19 1 . 1 1 5 5 LEU C C 5 177.915 177.915 176.542 1.373 25284 20 1 . 1 1 5 5 LEU CA C 5 55.564 55.564 55.018 0.546 25284 21 1 . 1 1 5 5 LEU CB C 5 42.806 42.806 42.001 0.805 25284 22 1 . 1 1 5 5 LEU H H 5 9.421 9.421 8.534 0.887 25284 23 1 . 1 1 6 6 THR N N 6 115.077 115.077 116.121 -1.044 25284 24 1 . 1 1 6 6 THR HA H 6 4.745 4.745 4.648 0.097 25284 25 1 . 1 1 6 6 THR C C 6 175.958 175.958 175.416 0.542 25284 26 1 . 1 1 6 6 THR CA C 6 60.159 60.159 60.334 -0.175 25284 27 1 . 1 1 6 6 THR CB C 6 72.442 72.442 70.562 1.880 25284 28 1 . 1 1 6 6 THR H H 6 9.006 9.006 8.511 0.495 25284 29 1 . 1 1 7 7 THR N N 7 115.895 115.895 115.316 0.579 25284 30 1 . 1 1 7 7 THR HA H 7 3.867 3.867 4.083 -0.216 25284 31 1 . 1 1 7 7 THR C C 7 176.622 176.622 176.393 0.229 25284 32 1 . 1 1 7 7 THR CA C 7 67.331 67.331 66.709 0.622 25284 33 1 . 1 1 7 7 THR CB C 7 68.496 68.496 68.444 0.052 25284 34 1 . 1 1 7 7 THR H H 7 8.864 8.864 8.466 0.398 25284 35 1 . 1 1 8 8 ASP N N 8 120.253 120.253 120.554 -0.300 25284 36 1 . 1 1 8 8 ASP HA H 8 4.629 4.629 4.463 0.166 25284 37 1 . 1 1 8 8 ASP C C 8 178.593 178.593 178.003 0.590 25284 38 1 . 1 1 8 8 ASP CA C 8 57.740 57.740 57.950 -0.210 25284 39 1 . 1 1 8 8 ASP CB C 8 41.273 41.273 40.507 0.766 25284 40 1 . 1 1 8 8 ASP H H 8 8.289 8.289 8.465 -0.176 25284 41 1 . 1 1 9 9 ASP N N 9 120.653 120.653 120.285 0.368 25284 42 1 . 1 1 9 9 ASP HA H 9 4.560 4.560 4.476 0.083 25284 43 1 . 1 1 9 9 ASP C C 9 179.465 179.465 178.438 1.027 25284 44 1 . 1 1 9 9 ASP CA C 9 57.608 57.608 57.074 0.534 25284 45 1 . 1 1 9 9 ASP CB C 9 41.559 41.559 41.112 0.447 25284 46 1 . 1 1 9 9 ASP H H 9 7.916 7.916 7.743 0.173 25284 47 1 . 1 1 10 10 LEU N N 10 121.585 121.585 121.357 0.228 25284 48 1 . 1 1 10 10 LEU HA H 10 4.216 4.216 4.109 0.107 25284 49 1 . 1 1 10 10 LEU C C 10 177.517 177.517 178.179 -0.662 25284 50 1 . 1 1 10 10 LEU CA C 10 58.031 58.031 57.790 0.241 25284 51 1 . 1 1 10 10 LEU CB C 10 42.146 42.146 42.055 0.091 25284 52 1 . 1 1 10 10 LEU H H 10 8.086 8.086 7.956 0.131 25284 53 1 . 1 1 11 11 ARG N N 11 120.099 120.099 118.939 1.160 25284 54 1 . 1 1 11 11 ARG HA H 11 3.514 3.514 3.594 -0.080 25284 55 1 . 1 1 11 11 ARG C C 11 177.769 177.769 178.333 -0.564 25284 56 1 . 1 1 11 11 ARG CA C 11 60.715 60.715 59.802 0.913 25284 57 1 . 1 1 11 11 ARG CB C 11 30.775 30.775 29.931 0.844 25284 58 1 . 1 1 11 11 ARG H H 11 8.852 8.852 8.321 0.531 25284 59 1 . 1 1 12 12 ARG N N 12 115.840 115.840 118.525 -2.685 25284 60 1 . 1 1 12 12 ARG HA H 12 4.032 4.032 4.027 0.005 25284 61 1 . 1 1 12 12 ARG C C 12 178.492 178.492 178.490 0.002 25284 62 1 . 1 1 12 12 ARG CA C 12 59.592 59.592 59.164 0.428 25284 63 1 . 1 1 12 12 ARG CB C 12 30.583 30.583 30.054 0.529 25284 64 1 . 1 1 12 12 ARG H H 12 7.996 7.996 7.696 0.300 25284 65 1 . 1 1 13 13 ALA N N 13 120.184 120.184 122.777 -2.593 25284 66 1 . 1 1 13 13 ALA HA H 13 4.401 4.401 4.260 0.141 25284 67 1 . 1 1 13 13 ALA C C 13 180.114 180.114 179.746 0.368 25284 68 1 . 1 1 13 13 ALA CA C 13 54.938 54.938 54.886 0.052 25284 69 1 . 1 1 13 13 ALA CB C 13 18.756 18.756 18.612 0.144 25284 70 1 . 1 1 13 13 ALA H H 13 7.705 7.705 7.899 -0.194 25284 71 1 . 1 1 14 14 LEU N N 14 119.427 119.427 119.433 -0.006 25284 72 1 . 1 1 14 14 LEU HA H 14 4.424 4.424 4.221 0.203 25284 73 1 . 1 1 14 14 LEU C C 14 179.766 179.766 178.952 0.814 25284 74 1 . 1 1 14 14 LEU CA C 14 57.568 57.568 57.582 -0.014 25284 75 1 . 1 1 14 14 LEU CB C 14 42.039 42.039 41.843 0.196 25284 76 1 . 1 1 14 14 LEU H H 14 8.424 8.424 8.380 0.044 25284 77 1 . 1 1 15 15 VAL N N 15 121.004 121.004 119.674 1.330 25284 78 1 . 1 1 15 15 VAL HA H 15 3.920 3.920 3.663 0.257 25284 79 1 . 1 1 15 15 VAL C C 15 179.014 179.014 178.327 0.687 25284 80 1 . 1 1 15 15 VAL CA C 15 66.259 66.259 66.674 -0.415 25284 81 1 . 1 1 15 15 VAL CB C 15 32.137 32.137 31.552 0.585 25284 82 1 . 1 1 15 15 VAL H H 15 8.519 8.519 7.829 0.690 25284 83 1 . 1 1 16 16 GLU N N 16 119.984 119.984 119.314 0.670 25284 84 1 . 1 1 16 16 GLU HA H 16 4.206 4.206 4.033 0.173 25284 85 1 . 1 1 16 16 GLU C C 16 178.547 178.547 178.383 0.163 25284 86 1 . 1 1 16 16 GLU CA C 16 59.042 59.042 59.167 -0.125 25284 87 1 . 1 1 16 16 GLU CB C 16 29.692 29.692 29.398 0.294 25284 88 1 . 1 1 16 16 GLU H H 16 8.218 8.218 8.115 0.103 25284 89 1 . 1 1 17 17 SER N N 17 113.928 113.928 113.405 0.523 25284 90 1 . 1 1 17 17 SER HA H 17 4.577 4.577 4.423 0.154 25284 91 1 . 1 1 17 17 SER C C 17 174.273 174.273 174.315 -0.042 25284 92 1 . 1 1 17 17 SER CA C 17 59.940 59.940 59.674 0.266 25284 93 1 . 1 1 17 17 SER CB C 17 64.378 64.378 63.510 0.868 25284 94 1 . 1 1 17 17 SER H H 17 7.798 7.798 7.903 -0.105 25284 95 1 . 1 1 18 18 ALA N N 18 123.357 123.357 123.114 0.243 25284 96 1 . 1 1 18 18 ALA HA H 18 4.347 4.347 4.259 0.088 25284 97 1 . 1 1 18 18 ALA C C 18 178.292 178.292 177.584 0.708 25284 98 1 . 1 1 18 18 ALA CA C 18 52.991 52.991 52.087 0.904 25284 99 1 . 1 1 18 18 ALA CB C 18 19.965 19.965 19.192 0.773 25284 100 1 . 1 1 18 18 ALA H H 18 7.813 7.813 7.504 0.309 25284 101 1 . 1 1 19 19 GLY N N 19 107.711 107.711 108.805 -1.094 25284 102 1 . 1 1 19 19 GLY C C 19 174.440 174.440 174.451 -0.011 25284 103 1 . 1 1 19 19 GLY CA C 19 45.650 45.650 45.886 -0.236 25284 104 1 . 1 1 19 19 GLY H H 19 8.256 8.256 8.164 0.092 25284 105 1 . 1 1 20 20 GLU N N 20 120.763 120.763 120.695 0.068 25284 106 1 . 1 1 20 20 GLU HA H 20 4.477 4.477 4.495 -0.018 25284 107 1 . 1 1 20 20 GLU C C 20 176.905 176.905 175.871 1.034 25284 108 1 . 1 1 20 20 GLU CA C 20 56.896 56.896 55.984 0.912 25284 109 1 . 1 1 20 20 GLU CB C 20 30.160 30.160 29.747 0.413 25284 110 1 . 1 1 20 20 GLU H H 20 8.508 8.508 8.272 0.236 25284 111 1 . 1 1 21 21 THR N N 21 114.316 114.316 116.674 -2.358 25284 112 1 . 1 1 21 21 THR HA H 21 4.529 4.529 4.378 0.151 25284 113 1 . 1 1 21 21 THR C C 21 174.564 174.564 173.292 1.272 25284 114 1 . 1 1 21 21 THR CA C 21 61.942 61.942 61.905 0.037 25284 115 1 . 1 1 21 21 THR CB C 21 70.323 70.323 69.505 0.818 25284 116 1 . 1 1 21 21 THR H H 21 8.258 8.258 7.910 0.348 25284 117 1 . 1 1 22 22 ASP N N 22 122.479 122.479 121.996 0.483 25284 118 1 . 1 1 22 22 ASP HA H 22 4.728 4.728 4.633 0.095 25284 119 1 . 1 1 22 22 ASP C C 22 176.913 176.913 176.314 0.599 25284 120 1 . 1 1 22 22 ASP CA C 22 54.806 54.806 54.311 0.495 25284 121 1 . 1 1 22 22 ASP CB C 22 41.144 41.144 41.155 -0.011 25284 122 1 . 1 1 22 22 ASP H H 22 8.506 8.506 8.244 0.262 25284 123 1 . 1 1 23 23 GLY N N 23 109.608 109.608 111.571 -1.963 25284 124 1 . 1 1 23 23 GLY C C 23 174.806 174.806 174.440 0.366 25284 125 1 . 1 1 23 23 GLY CA C 23 45.969 45.969 45.094 0.875 25284 126 1 . 1 1 23 23 GLY H H 23 8.503 8.503 8.393 0.110 25284 127 1 . 1 1 24 24 THR N N 24 116.205 116.205 115.179 1.026 25284 128 1 . 1 1 24 24 THR HA H 24 4.333 4.333 4.294 0.039 25284 129 1 . 1 1 24 24 THR C C 24 174.247 174.247 174.078 0.169 25284 130 1 . 1 1 24 24 THR CA C 24 63.240 63.240 61.672 1.568 25284 131 1 . 1 1 24 24 THR CB C 24 70.056 70.056 69.553 0.503 25284 132 1 . 1 1 24 24 THR H H 24 8.152 8.152 7.784 0.368 25284 133 1 . 1 1 25 25 ASP N N 25 124.096 124.096 122.493 1.603 25284 134 1 . 1 1 25 25 ASP HA H 25 4.718 4.718 4.651 0.067 25284 135 1 . 1 1 25 25 ASP C C 25 176.223 176.223 175.548 0.675 25284 136 1 . 1 1 25 25 ASP CA C 25 54.536 54.536 54.163 0.374 25284 137 1 . 1 1 25 25 ASP CB C 25 41.163 41.163 41.197 -0.034 25284 138 1 . 1 1 25 25 ASP H H 25 8.620 8.620 8.531 0.089 25284 139 1 . 1 1 26 26 LEU N N 26 123.934 123.934 124.512 -0.578 25284 140 1 . 1 1 26 26 LEU HA H 26 4.365 4.365 4.439 -0.074 25284 141 1 . 1 1 26 26 LEU C C 26 176.356 176.356 175.876 0.480 25284 142 1 . 1 1 26 26 LEU CA C 26 54.374 54.374 54.332 0.042 25284 143 1 . 1 1 26 26 LEU CB C 26 41.235 41.235 41.982 -0.747 25284 144 1 . 1 1 26 26 LEU H H 26 8.482 8.482 8.172 0.310 25284 145 1 . 1 1 27 27 SER N N 27 115.330 115.330 115.402 -0.072 25284 146 1 . 1 1 27 27 SER HA H 27 4.300 4.300 4.538 -0.238 25284 147 1 . 1 1 27 27 SER C C 27 175.077 175.077 174.955 0.122 25284 148 1 . 1 1 27 27 SER CA C 27 59.917 59.917 58.488 1.429 25284 149 1 . 1 1 27 27 SER CB C 27 64.229 64.229 63.756 0.473 25284 150 1 . 1 1 27 27 SER H H 27 8.214 8.214 7.885 0.329 25284 151 1 . 1 1 28 28 GLY N N 28 111.630 111.630 113.364 -1.734 25284 152 1 . 1 1 28 28 GLY C C 28 174.303 174.303 173.480 0.823 25284 153 1 . 1 1 28 28 GLY CA C 28 45.500 45.500 45.118 0.382 25284 154 1 . 1 1 28 28 GLY H H 28 8.592 8.592 8.348 0.244 25284 155 1 . 1 1 29 29 ASP N N 29 123.552 123.552 122.522 1.030 25284 156 1 . 1 1 29 29 ASP HA H 29 4.851 4.851 4.642 0.209 25284 157 1 . 1 1 29 29 ASP C C 29 176.494 176.494 175.833 0.661 25284 158 1 . 1 1 29 29 ASP CA C 29 54.312 54.312 54.188 0.124 25284 159 1 . 1 1 29 29 ASP CB C 29 39.771 39.771 40.517 -0.747 25284 160 1 . 1 1 29 29 ASP H H 29 8.690 8.690 8.398 0.292 25284 161 1 . 1 1 30 30 PHE N N 30 122.578 122.578 120.422 2.156 25284 162 1 . 1 1 30 30 PHE HA H 30 4.764 4.764 4.627 0.137 25284 163 1 . 1 1 30 30 PHE C C 30 175.529 175.529 175.396 0.133 25284 164 1 . 1 1 30 30 PHE CA C 30 57.493 57.493 57.072 0.421 25284 165 1 . 1 1 30 30 PHE CB C 30 40.639 40.639 38.879 1.760 25284 166 1 . 1 1 30 30 PHE H H 30 8.076 8.076 8.065 0.011 25284 167 1 . 1 1 31 31 LEU N N 31 119.188 119.188 121.951 -2.763 25284 168 1 . 1 1 31 31 LEU HA H 31 3.302 3.302 3.665 -0.363 25284 169 1 . 1 1 31 31 LEU C C 31 176.503 176.503 176.685 -0.182 25284 170 1 . 1 1 31 31 LEU CA C 31 57.940 57.940 56.644 1.296 25284 171 1 . 1 1 31 31 LEU CB C 31 42.218 42.218 41.551 0.667 25284 172 1 . 1 1 31 31 LEU H H 31 7.535 7.535 7.555 -0.020 25284 173 1 . 1 1 32 32 ASP N N 32 112.101 112.101 115.873 -3.772 25284 174 1 . 1 1 32 32 ASP HA H 32 5.047 5.047 4.565 0.482 25284 175 1 . 1 1 32 32 ASP C C 32 176.064 176.064 175.379 0.685 25284 176 1 . 1 1 32 32 ASP CA C 32 53.755 53.755 53.825 -0.070 25284 177 1 . 1 1 32 32 ASP CB C 32 41.824 41.824 41.306 0.518 25284 178 1 . 1 1 32 32 ASP H H 32 8.087 8.087 7.987 0.100 25284 179 1 . 1 1 33 33 LEU N N 33 122.380 122.380 121.210 1.170 25284 180 1 . 1 1 33 33 LEU HA H 33 4.309 4.309 4.420 -0.111 25284 181 1 . 1 1 33 33 LEU C C 33 174.879 174.879 175.314 -0.435 25284 182 1 . 1 1 33 33 LEU CA C 33 54.566 54.566 54.266 0.301 25284 183 1 . 1 1 33 33 LEU CB C 33 42.528 42.528 43.859 -1.331 25284 184 1 . 1 1 33 33 LEU H H 33 7.222 7.222 7.229 -0.007 25284 185 1 . 1 1 34 34 ARG N N 34 116.439 116.439 121.106 -4.667 25284 186 1 . 1 1 34 34 ARG HA H 34 4.725 4.725 4.572 0.153 25284 187 1 . 1 1 34 34 ARG C C 34 179.778 179.778 177.694 2.084 25284 188 1 . 1 1 34 34 ARG CA C 34 55.536 55.536 55.160 0.376 25284 189 1 . 1 1 34 34 ARG CB C 34 30.173 30.173 31.229 -1.056 25284 190 1 . 1 1 34 34 ARG H H 34 8.487 8.487 8.188 0.299 25284 191 1 . 1 1 35 35 PHE N N 35 123.548 123.548 121.778 1.770 25284 192 1 . 1 1 35 35 PHE HA H 35 4.385 4.385 4.141 0.244 25284 193 1 . 1 1 35 35 PHE C C 35 178.776 178.776 177.638 1.138 25284 194 1 . 1 1 35 35 PHE CA C 35 63.121 63.121 62.697 0.423 25284 195 1 . 1 1 35 35 PHE CB C 35 37.967 37.967 38.613 -0.646 25284 196 1 . 1 1 35 35 PHE H H 35 8.455 8.455 8.585 -0.130 25284 197 1 . 1 1 36 36 GLU N N 36 117.380 117.380 117.694 -0.314 25284 198 1 . 1 1 36 36 GLU HA H 36 4.358 4.358 4.107 0.251 25284 199 1 . 1 1 36 36 GLU C C 36 178.612 178.612 178.092 0.520 25284 200 1 . 1 1 36 36 GLU CA C 36 59.145 59.145 58.910 0.235 25284 201 1 . 1 1 36 36 GLU CB C 36 29.301 29.301 29.062 0.239 25284 202 1 . 1 1 36 36 GLU H H 36 9.560 9.560 8.765 0.795 25284 203 1 . 1 1 37 37 ASP N N 37 118.596 118.596 119.533 -0.938 25284 204 1 . 1 1 37 37 ASP HA H 37 4.810 4.810 4.550 0.260 25284 205 1 . 1 1 37 37 ASP C C 37 177.993 177.993 177.776 0.217 25284 206 1 . 1 1 37 37 ASP CA C 37 56.474 56.474 56.274 0.200 25284 207 1 . 1 1 37 37 ASP CB C 37 41.411 41.411 41.343 0.069 25284 208 1 . 1 1 37 37 ASP H H 37 7.546 7.546 7.740 -0.194 25284 209 1 . 1 1 38 38 ILE N N 38 113.080 113.080 112.880 0.200 25284 210 1 . 1 1 38 38 ILE HA H 38 4.663 4.663 4.446 0.217 25284 211 1 . 1 1 38 38 ILE C C 38 176.140 176.140 176.346 -0.206 25284 212 1 . 1 1 38 38 ILE CA C 38 62.038 62.038 60.970 1.068 25284 213 1 . 1 1 38 38 ILE CB C 38 38.755 38.755 37.427 1.328 25284 214 1 . 1 1 38 38 ILE H H 38 7.725 7.725 7.504 0.221 25284 215 1 . 1 1 39 39 GLY N N 39 107.376 107.376 108.479 -1.103 25284 216 1 . 1 1 39 39 GLY C C 39 174.497 174.497 174.393 0.104 25284 217 1 . 1 1 39 39 GLY CA C 39 46.580 46.580 45.791 0.789 25284 218 1 . 1 1 39 39 GLY H H 39 7.736 7.736 7.686 0.050 25284 219 1 . 1 1 40 40 TYR N N 40 121.883 121.883 120.576 1.307 25284 220 1 . 1 1 40 40 TYR HA H 40 4.583 4.583 4.557 0.026 25284 221 1 . 1 1 40 40 TYR C C 40 174.479 174.479 175.253 -0.774 25284 222 1 . 1 1 40 40 TYR CA C 40 58.153 58.153 58.661 -0.508 25284 223 1 . 1 1 40 40 TYR CB C 40 40.535 40.535 38.883 1.652 25284 224 1 . 1 1 40 40 TYR H H 40 8.059 8.059 8.384 -0.325 25284 225 1 . 1 1 41 41 ASP N N 41 124.021 124.021 123.696 0.325 25284 226 1 . 1 1 41 41 ASP HA H 41 4.739 4.739 4.761 -0.022 25284 227 1 . 1 1 41 41 ASP C C 41 175.831 175.831 177.163 -1.332 25284 228 1 . 1 1 41 41 ASP CA C 41 52.669 52.669 53.631 -0.962 25284 229 1 . 1 1 41 41 ASP CB C 41 42.015 42.015 43.146 -1.131 25284 230 1 . 1 1 41 41 ASP H H 41 7.992 7.992 8.261 -0.269 25284 231 1 . 1 1 42 42 SER N N 42 114.198 114.198 116.213 -2.015 25284 232 1 . 1 1 42 42 SER HA H 42 4.272 4.272 4.254 0.018 25284 233 1 . 1 1 42 42 SER C C 42 176.102 176.102 176.752 -0.650 25284 234 1 . 1 1 42 42 SER CA C 42 60.657 60.657 61.213 -0.556 25284 235 1 . 1 1 42 42 SER CB C 42 66.110 66.110 62.894 3.216 25284 236 1 . 1 1 43 43 LEU N N 43 124.254 124.254 121.680 2.574 25284 237 1 . 1 1 43 43 LEU HA H 43 4.269 4.269 4.088 0.181 25284 238 1 . 1 1 43 43 LEU C C 43 179.140 179.140 178.697 0.443 25284 239 1 . 1 1 43 43 LEU CA C 43 58.567 58.567 57.525 1.042 25284 240 1 . 1 1 43 43 LEU CB C 43 41.178 41.178 41.266 -0.088 25284 241 1 . 1 1 43 43 LEU H H 43 7.792 7.792 8.318 -0.526 25284 242 1 . 1 1 44 44 ALA N N 44 123.473 123.473 121.253 2.220 25284 243 1 . 1 1 44 44 ALA HA H 44 4.318 4.318 4.098 0.220 25284 244 1 . 1 1 44 44 ALA C C 44 181.903 181.903 179.809 2.094 25284 245 1 . 1 1 44 44 ALA CA C 44 55.068 55.068 54.825 0.243 25284 246 1 . 1 1 44 44 ALA CB C 44 18.556 18.556 18.285 0.271 25284 247 1 . 1 1 44 44 ALA H H 44 8.140 8.140 7.989 0.151 25284 248 1 . 1 1 45 45 LEU N N 45 121.524 121.524 120.451 1.073 25284 249 1 . 1 1 45 45 LEU HA H 45 3.898 3.898 4.166 -0.268 25284 250 1 . 1 1 45 45 LEU C C 45 179.040 179.040 178.480 0.560 25284 251 1 . 1 1 45 45 LEU CA C 45 58.475 58.475 57.231 1.244 25284 252 1 . 1 1 45 45 LEU CB C 45 41.780 41.780 41.194 0.586 25284 253 1 . 1 1 45 45 LEU H H 45 8.442 8.442 7.763 0.679 25284 254 1 . 1 1 46 46 MET N N 46 119.769 119.769 118.543 1.226 25284 255 1 . 1 1 46 46 MET HA H 46 4.265 4.265 3.945 0.320 25284 256 1 . 1 1 46 46 MET C C 46 180.609 180.609 178.569 2.040 25284 257 1 . 1 1 46 46 MET CA C 46 58.853 58.853 59.877 -1.024 25284 258 1 . 1 1 46 46 MET CB C 46 32.119 32.119 31.922 0.197 25284 259 1 . 1 1 46 46 MET H H 46 8.234 8.234 7.953 0.281 25284 260 1 . 1 1 47 47 GLU N N 47 121.097 121.097 119.340 1.757 25284 261 1 . 1 1 47 47 GLU HA H 47 4.228 4.228 4.027 0.201 25284 262 1 . 1 1 47 47 GLU C C 47 179.333 179.333 179.143 0.190 25284 263 1 . 1 1 47 47 GLU CA C 47 59.644 59.644 59.598 0.046 25284 264 1 . 1 1 47 47 GLU CB C 47 28.977 28.977 29.347 -0.370 25284 265 1 . 1 1 47 47 GLU H H 47 8.517 8.517 8.363 0.154 25284 266 1 . 1 1 48 48 THR N N 48 118.834 118.834 116.561 2.273 25284 267 1 . 1 1 48 48 THR HA H 48 3.961 3.961 4.078 -0.117 25284 268 1 . 1 1 48 48 THR C C 48 176.348 176.348 176.424 -0.076 25284 269 1 . 1 1 48 48 THR CA C 48 67.842 67.842 66.446 1.396 25284 270 1 . 1 1 48 48 THR CB C 48 68.056 68.056 68.840 -0.784 25284 271 1 . 1 1 48 48 THR H H 48 8.325 8.325 7.994 0.331 25284 272 1 . 1 1 49 49 ALA N N 49 123.924 123.924 123.223 0.701 25284 273 1 . 1 1 49 49 ALA HA H 49 3.926 3.926 4.050 -0.124 25284 274 1 . 1 1 49 49 ALA C C 49 178.608 178.608 179.345 -0.737 25284 275 1 . 1 1 49 49 ALA CA C 49 56.247 56.247 55.098 1.149 25284 276 1 . 1 1 49 49 ALA CB C 49 17.569 17.569 18.139 -0.570 25284 277 1 . 1 1 49 49 ALA H H 49 8.747 8.747 8.279 0.468 25284 278 1 . 1 1 50 50 ALA N N 50 119.691 119.691 121.125 -1.434 25284 279 1 . 1 1 50 50 ALA HA H 50 4.269 4.269 4.309 -0.040 25284 280 1 . 1 1 50 50 ALA C C 50 181.310 181.310 179.339 1.971 25284 281 1 . 1 1 50 50 ALA CA C 50 55.422 55.422 54.718 0.704 25284 282 1 . 1 1 50 50 ALA CB C 50 18.171 18.171 18.342 -0.171 25284 283 1 . 1 1 50 50 ALA H H 50 8.245 8.245 8.480 -0.235 25284 284 1 . 1 1 51 51 ARG N N 51 119.913 119.913 118.844 1.069 25284 285 1 . 1 1 51 51 ARG HA H 51 4.247 4.247 4.139 0.108 25284 286 1 . 1 1 51 51 ARG C C 51 179.808 179.808 178.574 1.234 25284 287 1 . 1 1 51 51 ARG CA C 51 59.673 59.673 58.691 0.982 25284 288 1 . 1 1 51 51 ARG CB C 51 30.539 30.539 29.910 0.629 25284 289 1 . 1 1 51 51 ARG H H 51 8.129 8.129 7.857 0.272 25284 290 1 . 1 1 52 52 LEU N N 52 120.624 120.624 119.486 1.138 25284 291 1 . 1 1 52 52 LEU HA H 52 4.319 4.319 4.244 0.075 25284 292 1 . 1 1 52 52 LEU C C 52 179.192 179.192 178.894 0.298 25284 293 1 . 1 1 52 52 LEU CA C 52 58.253 58.253 57.723 0.530 25284 294 1 . 1 1 52 52 LEU CB C 52 42.812 42.812 41.800 1.011 25284 295 1 . 1 1 52 52 LEU H H 52 8.423 8.423 7.720 0.703 25284 296 1 . 1 1 53 53 GLU N N 53 119.779 119.779 120.347 -0.568 25284 297 1 . 1 1 53 53 GLU HA H 53 4.108 4.108 3.988 0.120 25284 298 1 . 1 1 53 53 GLU C C 53 179.388 179.388 179.519 -0.131 25284 299 1 . 1 1 53 53 GLU CA C 53 60.211 60.211 59.978 0.233 25284 300 1 . 1 1 53 53 GLU CB C 53 29.143 29.143 29.448 -0.305 25284 301 1 . 1 1 53 53 GLU H H 53 8.974 8.974 8.763 0.211 25284 302 1 . 1 1 54 54 SER N N 54 113.169 113.169 113.847 -0.678 25284 303 1 . 1 1 54 54 SER HA H 54 4.384 4.384 4.275 0.109 25284 304 1 . 1 1 54 54 SER C C 54 176.953 176.953 175.715 1.238 25284 305 1 . 1 1 54 54 SER CA C 54 61.279 61.279 61.383 -0.104 25284 306 1 . 1 1 54 54 SER CB C 54 63.402 63.402 63.126 0.276 25284 307 1 . 1 1 54 54 SER H H 54 8.037 8.037 8.213 -0.176 25284 308 1 . 1 1 55 55 ARG N N 55 120.851 120.851 120.488 0.363 25284 309 1 . 1 1 55 55 ARG HA H 55 4.100 4.100 4.099 0.001 25284 310 1 . 1 1 55 55 ARG C C 55 177.905 177.905 177.776 0.129 25284 311 1 . 1 1 55 55 ARG CA C 55 58.949 58.949 58.212 0.737 25284 312 1 . 1 1 55 55 ARG CB C 55 30.896 30.896 30.647 0.249 25284 313 1 . 1 1 55 55 ARG H H 55 8.099 8.099 7.616 0.483 25284 314 1 . 1 1 56 56 TYR N N 56 113.669 113.669 115.694 -2.025 25284 315 1 . 1 1 56 56 TYR HA H 56 4.687 4.687 4.570 0.117 25284 316 1 . 1 1 56 56 TYR C C 56 176.069 176.069 175.975 0.094 25284 317 1 . 1 1 56 56 TYR CA C 56 59.055 59.055 58.572 0.483 25284 318 1 . 1 1 56 56 TYR CB C 56 39.465 39.465 39.428 0.037 25284 319 1 . 1 1 56 56 TYR H H 56 8.158 8.158 8.059 0.099 25284 320 1 . 1 1 57 57 GLY N N 57 109.856 109.856 108.726 1.130 25284 321 1 . 1 1 57 57 GLY C C 57 174.642 174.642 173.947 0.695 25284 322 1 . 1 1 57 57 GLY CA C 57 47.476 47.476 45.097 2.379 25284 323 1 . 1 1 57 57 GLY H H 57 7.982 7.982 8.074 -0.092 25284 324 1 . 1 1 58 58 VAL N N 58 112.572 112.572 114.372 -1.800 25284 325 1 . 1 1 58 58 VAL HA H 58 4.676 4.676 4.602 0.074 25284 326 1 . 1 1 58 58 VAL C C 58 174.069 174.069 173.777 0.292 25284 327 1 . 1 1 58 58 VAL CA C 58 59.313 59.313 59.412 -0.099 25284 328 1 . 1 1 58 58 VAL CB C 58 34.744 34.744 34.534 0.210 25284 329 1 . 1 1 58 58 VAL H H 58 7.497 7.497 7.586 -0.089 25284 330 1 . 1 1 59 59 SER N N 59 117.179 117.179 114.789 2.390 25284 331 1 . 1 1 59 59 SER HA H 59 4.846 4.846 5.034 -0.188 25284 332 1 . 1 1 59 59 SER C C 59 173.699 173.699 173.221 0.477 25284 333 1 . 1 1 59 59 SER CA C 59 57.401 57.401 57.820 -0.419 25284 334 1 . 1 1 59 59 SER CB C 59 64.502 64.502 64.816 -0.314 25284 335 1 . 1 1 59 59 SER H H 59 8.489 8.489 8.122 0.367 25284 336 1 . 1 1 60 60 ILE N N 60 125.858 125.858 126.342 -0.484 25284 337 1 . 1 1 60 60 ILE HA H 60 4.651 4.651 4.498 0.153 25284 338 1 . 1 1 60 60 ILE CA C 60 57.694 57.694 58.221 -0.527 25284 339 1 . 1 1 60 60 ILE CB C 60 40.500 40.500 39.765 0.734 25284 340 1 . 1 1 60 60 ILE H H 60 8.222 8.222 9.158 -0.936 25284 341 1 . 1 1 61 61 PRO HA H 61 4.530 4.530 4.508 0.022 25284 342 1 . 1 1 61 61 PRO C C 61 177.512 177.512 177.075 0.437 25284 343 1 . 1 1 61 61 PRO CA C 61 63.561 63.561 62.543 1.018 25284 344 1 . 1 1 61 61 PRO CB C 61 32.770 32.770 32.427 0.343 25284 345 1 . 1 1 62 62 ASP N N 62 123.459 123.459 122.822 0.637 25284 346 1 . 1 1 62 62 ASP HA H 62 4.449 4.449 4.193 0.256 25284 347 1 . 1 1 62 62 ASP C C 62 177.284 177.284 177.902 -0.618 25284 348 1 . 1 1 62 62 ASP CA C 62 57.112 57.112 57.675 -0.563 25284 349 1 . 1 1 62 62 ASP CB C 62 40.740 40.740 40.579 0.161 25284 350 1 . 1 1 62 62 ASP H H 62 8.831 8.831 8.711 0.121 25284 351 1 . 1 1 63 63 ASP N N 63 116.794 116.794 118.351 -1.557 25284 352 1 . 1 1 63 63 ASP HA H 63 4.529 4.529 4.410 0.119 25284 353 1 . 1 1 63 63 ASP C C 63 177.294 177.294 177.971 -0.676 25284 354 1 . 1 1 63 63 ASP CA C 63 54.956 54.956 56.561 -1.604 25284 355 1 . 1 1 63 63 ASP CB C 63 39.687 39.687 40.581 -0.894 25284 356 1 . 1 1 63 63 ASP H H 63 8.617 8.617 8.587 0.030 25284 357 1 . 1 1 64 64 VAL N N 64 119.209 119.209 119.522 -0.313 25284 358 1 . 1 1 64 64 VAL HA H 64 3.812 3.812 3.848 -0.036 25284 359 1 . 1 1 64 64 VAL C C 64 177.556 177.556 177.710 -0.154 25284 360 1 . 1 1 64 64 VAL CA C 64 65.179 65.179 64.631 0.548 25284 361 1 . 1 1 64 64 VAL CB C 64 32.413 32.413 31.683 0.730 25284 362 1 . 1 1 64 64 VAL H H 64 7.407 7.407 7.536 -0.129 25284 363 1 . 1 1 65 65 ALA N N 65 122.418 122.418 123.104 -0.686 25284 364 1 . 1 1 65 65 ALA HA H 65 3.987 3.987 4.096 -0.109 25284 365 1 . 1 1 65 65 ALA C C 65 177.994 177.994 178.875 -0.881 25284 366 1 . 1 1 65 65 ALA CA C 65 54.842 54.842 54.634 0.208 25284 367 1 . 1 1 65 65 ALA CB C 65 18.522 18.522 18.402 0.120 25284 368 1 . 1 1 65 65 ALA H H 65 8.246 8.246 7.756 0.490 25284 369 1 . 1 1 66 66 GLY N N 66 100.378 100.378 104.013 -3.635 25284 370 1 . 1 1 66 66 GLY C C 66 174.387 174.387 174.847 -0.460 25284 371 1 . 1 1 66 66 GLY CA C 66 46.015 46.015 45.070 0.945 25284 372 1 . 1 1 66 66 GLY H H 66 8.021 8.021 7.802 0.219 25284 373 1 . 1 1 67 67 ARG N N 67 116.838 116.838 119.390 -2.552 25284 374 1 . 1 1 67 67 ARG HA H 67 4.623 4.623 4.486 0.137 25284 375 1 . 1 1 67 67 ARG C C 67 176.509 176.509 176.138 0.371 25284 376 1 . 1 1 67 67 ARG CA C 67 55.883 55.883 55.462 0.421 25284 377 1 . 1 1 67 67 ARG CB C 67 31.911 31.911 30.874 1.037 25284 378 1 . 1 1 67 67 ARG H H 67 7.483 7.483 7.685 -0.202 25284 379 1 . 1 1 68 68 VAL N N 68 114.649 114.649 116.052 -1.403 25284 380 1 . 1 1 68 68 VAL HA H 68 4.468 4.468 4.192 0.276 25284 381 1 . 1 1 68 68 VAL C C 68 175.192 175.192 175.127 0.065 25284 382 1 . 1 1 68 68 VAL CA C 68 61.819 61.819 61.040 0.779 25284 383 1 . 1 1 68 68 VAL CB C 68 33.624 33.624 33.225 0.399 25284 384 1 . 1 1 68 68 VAL H H 68 7.284 7.284 7.311 -0.027 25284 385 1 . 1 1 69 69 ASP N N 69 120.972 120.972 119.753 1.219 25284 386 1 . 1 1 69 69 ASP HA H 69 5.264 5.264 4.939 0.325 25284 387 1 . 1 1 69 69 ASP C C 69 176.970 176.970 175.600 1.370 25284 388 1 . 1 1 69 69 ASP CA C 69 55.811 55.811 55.509 0.303 25284 389 1 . 1 1 69 69 ASP CB C 69 44.441 44.441 43.198 1.243 25284 390 1 . 1 1 69 69 ASP H H 69 9.167 9.167 9.011 0.156 25284 391 1 . 1 1 70 70 THR N N 70 108.311 108.311 110.891 -2.580 25284 392 1 . 1 1 70 70 THR HA H 70 4.939 4.939 5.001 -0.062 25284 393 1 . 1 1 70 70 THR CA C 70 57.823 57.823 58.564 -0.741 25284 394 1 . 1 1 70 70 THR CB C 70 71.412 71.412 70.366 1.046 25284 395 1 . 1 1 70 70 THR H H 70 7.477 7.477 8.311 -0.834 25284 396 1 . 1 1 71 71 PRO HA H 71 4.235 4.235 4.264 -0.029 25284 397 1 . 1 1 71 71 PRO C C 71 177.422 177.422 177.706 -0.284 25284 398 1 . 1 1 71 71 PRO CA C 71 66.002 66.002 65.573 0.429 25284 399 1 . 1 1 71 71 PRO CB C 71 32.686 32.686 31.465 1.221 25284 400 1 . 1 1 72 72 ARG N N 72 117.972 117.972 116.763 1.209 25284 401 1 . 1 1 72 72 ARG HA H 72 3.609 3.609 3.966 -0.357 25284 402 1 . 1 1 72 72 ARG C C 72 177.616 177.616 178.274 -0.658 25284 403 1 . 1 1 72 72 ARG CA C 72 60.243 60.243 59.306 0.938 25284 404 1 . 1 1 72 72 ARG CB C 72 30.524 30.524 29.177 1.347 25284 405 1 . 1 1 72 72 ARG H H 72 9.016 9.016 7.886 1.130 25284 406 1 . 1 1 73 73 GLU N N 73 116.790 116.790 120.399 -3.609 25284 407 1 . 1 1 73 73 GLU HA H 73 4.242 4.242 4.121 0.121 25284 408 1 . 1 1 73 73 GLU C C 73 180.200 180.200 178.880 1.320 25284 409 1 . 1 1 73 73 GLU CA C 73 59.226 59.226 58.803 0.423 25284 410 1 . 1 1 73 73 GLU CB C 73 30.069 30.069 29.288 0.781 25284 411 1 . 1 1 73 73 GLU H H 73 7.838 7.838 7.843 -0.005 25284 412 1 . 1 1 74 74 LEU N N 74 120.656 120.656 121.722 -1.066 25284 413 1 . 1 1 74 74 LEU HA H 74 4.313 4.313 4.121 0.192 25284 414 1 . 1 1 74 74 LEU C C 74 177.023 177.023 178.474 -1.451 25284 415 1 . 1 1 74 74 LEU CA C 74 58.179 58.179 57.585 0.594 25284 416 1 . 1 1 74 74 LEU CB C 74 42.292 42.292 41.725 0.567 25284 417 1 . 1 1 74 74 LEU H H 74 7.703 7.703 7.463 0.240 25284 418 1 . 1 1 75 75 LEU N N 75 121.434 121.434 119.853 1.581 25284 419 1 . 1 1 75 75 LEU HA H 75 3.894 3.894 3.955 -0.061 25284 420 1 . 1 1 75 75 LEU C C 75 178.169 178.169 178.062 0.107 25284 421 1 . 1 1 75 75 LEU CA C 75 58.562 58.562 58.347 0.215 25284 422 1 . 1 1 75 75 LEU CB C 75 42.408 42.408 41.377 1.031 25284 423 1 . 1 1 75 75 LEU H H 75 8.743 8.743 8.535 0.208 25284 424 1 . 1 1 76 76 ASP N N 76 117.849 117.849 119.217 -1.368 25284 425 1 . 1 1 76 76 ASP HA H 76 4.488 4.488 4.378 0.110 25284 426 1 . 1 1 76 76 ASP C C 76 180.127 180.127 178.554 1.573 25284 427 1 . 1 1 76 76 ASP CA C 76 57.487 57.487 57.454 0.033 25284 428 1 . 1 1 76 76 ASP CB C 76 40.085 40.085 40.871 -0.786 25284 429 1 . 1 1 76 76 ASP H H 76 8.711 8.711 7.825 0.886 25284 430 1 . 1 1 77 77 LEU N N 77 123.252 123.252 120.576 2.676 25284 431 1 . 1 1 77 77 LEU HA H 77 4.303 4.303 3.960 0.343 25284 432 1 . 1 1 77 77 LEU C C 77 180.621 180.621 179.159 1.462 25284 433 1 . 1 1 77 77 LEU CA C 77 58.439 58.439 57.934 0.505 25284 434 1 . 1 1 77 77 LEU CB C 77 42.905 42.905 41.823 1.082 25284 435 1 . 1 1 77 77 LEU H H 77 8.009 8.009 7.720 0.289 25284 436 1 . 1 1 78 78 ILE N N 78 120.216 120.216 119.893 0.323 25284 437 1 . 1 1 78 78 ILE HA H 78 3.750 3.750 3.589 0.161 25284 438 1 . 1 1 78 78 ILE C C 78 177.713 177.713 178.218 -0.505 25284 439 1 . 1 1 78 78 ILE CA C 78 64.757 64.757 64.129 0.628 25284 440 1 . 1 1 78 78 ILE CB C 78 37.402 37.402 36.469 0.933 25284 441 1 . 1 1 78 78 ILE H H 78 8.294 8.294 8.061 0.233 25284 442 1 . 1 1 79 79 ASN N N 79 118.191 118.191 118.431 -0.240 25284 443 1 . 1 1 79 79 ASN HA H 79 4.912 4.912 4.337 0.575 25284 444 1 . 1 1 79 79 ASN C C 79 179.524 179.524 178.142 1.382 25284 445 1 . 1 1 79 79 ASN CA C 79 55.473 55.473 56.174 -0.701 25284 446 1 . 1 1 79 79 ASN CB C 79 37.331 37.331 37.994 -0.663 25284 447 1 . 1 1 79 79 ASN H H 79 8.887 8.887 8.566 0.321 25284 448 1 . 1 1 80 80 GLY N N 80 110.387 110.387 107.900 2.487 25284 449 1 . 1 1 80 80 GLY C C 80 175.783 175.783 175.362 0.421 25284 450 1 . 1 1 80 80 GLY CA C 80 47.166 47.166 46.852 0.314 25284 451 1 . 1 1 80 80 GLY H H 80 8.436 8.436 8.359 0.077 25284 452 1 . 1 1 81 81 ALA N N 81 124.420 124.420 124.377 0.043 25284 453 1 . 1 1 81 81 ALA HA H 81 4.460 4.460 4.289 0.171 25284 454 1 . 1 1 81 81 ALA C C 81 179.892 179.892 179.440 0.452 25284 455 1 . 1 1 81 81 ALA CA C 81 54.389 54.389 54.239 0.150 25284 456 1 . 1 1 81 81 ALA CB C 81 18.824 18.824 18.612 0.212 25284 457 1 . 1 1 81 81 ALA H H 81 7.606 7.606 7.827 -0.221 25284 458 1 . 1 1 82 82 LEU N N 82 120.239 120.239 120.171 0.068 25284 459 1 . 1 1 82 82 LEU HA H 82 4.214 4.214 4.098 0.116 25284 460 1 . 1 1 82 82 LEU C C 82 178.884 178.884 178.071 0.813 25284 461 1 . 1 1 82 82 LEU CA C 82 57.098 57.098 57.143 -0.045 25284 462 1 . 1 1 82 82 LEU CB C 82 42.739 42.739 41.776 0.963 25284 463 1 . 1 1 82 82 LEU H H 82 8.285 8.285 8.295 -0.010 25284 464 1 . 1 1 83 83 ALA N N 83 121.614 121.614 120.905 0.709 25284 465 1 . 1 1 83 83 ALA HA H 83 4.299 4.299 4.114 0.185 25284 466 1 . 1 1 83 83 ALA C C 83 178.788 178.788 179.055 -0.267 25284 467 1 . 1 1 83 83 ALA CA C 83 54.049 54.049 54.600 -0.551 25284 468 1 . 1 1 83 83 ALA CB C 83 18.944 18.944 18.317 0.627 25284 469 1 . 1 1 83 83 ALA H H 83 7.973 7.973 7.915 0.058 25284 470 1 . 1 1 84 84 GLU N N 84 117.412 117.412 118.063 -0.651 25284 471 1 . 1 1 84 84 GLU HA H 84 4.385 4.385 4.257 0.128 25284 472 1 . 1 1 84 84 GLU C C 84 176.406 176.406 177.428 -1.022 25284 473 1 . 1 1 84 84 GLU CA C 84 56.872 56.872 57.324 -0.452 25284 474 1 . 1 1 84 84 GLU CB C 84 29.773 29.773 29.828 -0.055 25284 475 1 . 1 1 84 84 GLU H H 84 7.753 7.753 7.860 -0.107 25284 476 1 . 1 1 85 85 ALA N N 85 124.256 124.256 120.996 3.260 25284 477 1 . 1 1 85 85 ALA HA H 85 4.471 4.471 4.342 0.129 25284 478 1 . 1 1 85 85 ALA C C 85 176.625 176.625 177.031 -0.406 25284 479 1 . 1 1 85 85 ALA CA C 85 52.679 52.679 52.541 0.138 25284 480 1 . 1 1 85 85 ALA CB C 85 19.702 19.702 19.624 0.078 25284 481 1 . 1 1 85 85 ALA H H 85 7.832 7.832 7.616 0.216 25284 stop_ save_