data_19946 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19946 _Entry.PDB_ID 2MOL 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 19946 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LEU N N 2 120.763 120.763 123.410 -2.647 19946 2 1 1 . 1 1 2 2 LEU HA H 2 4.384 4.384 4.224 0.160 19946 3 1 1 . 1 1 2 2 LEU CA C 2 53.827 53.827 55.108 -1.281 19946 4 1 1 . 1 1 2 2 LEU CB C 2 42.229 42.229 41.369 0.860 19946 5 1 1 . 1 1 2 2 LEU H H 2 7.888 7.888 8.412 -0.524 19946 6 1 1 . 1 1 3 3 THR N N 3 118.330 118.330 119.696 -1.366 19946 7 1 1 . 1 1 3 3 THR HA H 3 4.469 4.469 4.734 -0.265 19946 8 1 1 . 1 1 3 3 THR CA C 3 61.391 61.391 60.758 0.633 19946 9 1 1 . 1 1 3 3 THR CB C 3 69.496 69.496 71.692 -2.196 19946 10 1 1 . 1 1 3 3 THR H H 3 7.905 7.905 7.823 0.082 19946 11 1 1 . 1 1 4 4 THR N N 4 122.024 122.024 115.357 6.667 19946 12 1 1 . 1 1 4 4 THR HA H 4 5.171 5.171 5.688 -0.517 19946 13 1 1 . 1 1 4 4 THR CA C 4 61.595 61.595 59.358 2.237 19946 14 1 1 . 1 1 4 4 THR CB C 4 69.027 69.027 70.407 -1.380 19946 15 1 1 . 1 1 4 4 THR H H 4 8.504 8.504 8.381 0.123 19946 16 1 1 . 1 1 5 5 ILE N N 5 122.667 122.667 116.455 6.212 19946 17 1 1 . 1 1 5 5 ILE HA H 5 4.973 4.973 4.640 0.333 19946 18 1 1 . 1 1 5 5 ILE CA C 5 57.971 57.971 58.986 -1.015 19946 19 1 1 . 1 1 5 5 ILE CB C 5 41.458 41.458 41.267 0.192 19946 20 1 1 . 1 1 5 5 ILE H H 5 8.903 8.903 8.280 0.623 19946 21 1 1 . 1 1 6 6 SER N N 6 123.156 123.156 114.750 8.406 19946 22 1 1 . 1 1 6 6 SER HA H 6 4.785 4.785 4.949 -0.164 19946 23 1 1 . 1 1 6 6 SER H H 6 9.138 9.138 8.218 0.920 19946 24 1 1 . 1 1 7 7 PRO HA H 7 4.004 4.004 4.583 -0.579 19946 25 1 1 . 1 1 7 7 PRO CA C 7 65.510 65.510 63.359 2.151 19946 26 1 1 . 1 1 7 7 PRO CB C 7 30.924 30.924 30.173 0.751 19946 27 1 1 . 1 1 8 8 HIS N N 8 114.319 114.319 116.639 -2.320 19946 28 1 1 . 1 1 8 8 HIS HA H 8 3.989 3.989 4.647 -0.658 19946 29 1 1 . 1 1 8 8 HIS CA C 8 60.050 60.050 57.552 2.498 19946 30 1 1 . 1 1 8 8 HIS CB C 8 28.613 28.613 32.183 -3.570 19946 31 1 1 . 1 1 8 8 HIS H H 8 8.127 8.127 8.439 -0.312 19946 32 1 1 . 1 1 9 9 ASP N N 9 121.300 121.300 121.549 -0.249 19946 33 1 1 . 1 1 9 9 ASP HA H 9 4.301 4.301 4.673 -0.372 19946 34 1 1 . 1 1 9 9 ASP CA C 9 56.455 56.455 55.453 1.002 19946 35 1 1 . 1 1 9 9 ASP CB C 9 38.699 38.699 41.699 -3.000 19946 36 1 1 . 1 1 9 9 ASP H H 9 7.639 7.639 8.002 -0.363 19946 37 1 1 . 1 1 10 10 ALA N N 10 123.991 123.991 123.581 0.410 19946 38 1 1 . 1 1 10 10 ALA HA H 10 3.719 3.719 4.005 -0.286 19946 39 1 1 . 1 1 10 10 ALA CA C 10 54.331 54.331 54.892 -0.561 19946 40 1 1 . 1 1 10 10 ALA CB C 10 17.549 17.549 18.171 -0.622 19946 41 1 1 . 1 1 10 10 ALA H H 10 8.820 8.820 7.833 0.987 19946 42 1 1 . 1 1 11 11 GLN N N 11 118.128 118.128 116.708 1.420 19946 43 1 1 . 1 1 11 11 GLN HA H 11 3.933 3.933 4.191 -0.258 19946 44 1 1 . 1 1 11 11 GLN CA C 11 59.389 59.389 57.843 1.546 19946 45 1 1 . 1 1 11 11 GLN CB C 11 27.948 27.948 28.509 -0.561 19946 46 1 1 . 1 1 11 11 GLN H H 11 8.353 8.353 8.359 -0.006 19946 47 1 1 . 1 1 12 12 GLU N N 12 119.307 119.307 120.581 -1.274 19946 48 1 1 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.294 -0.271 19946 49 1 1 . 1 1 12 12 GLU CA C 12 58.476 58.476 58.173 0.303 19946 50 1 1 . 1 1 12 12 GLU CB C 12 28.532 28.532 29.921 -1.389 19946 51 1 1 . 1 1 12 12 GLU H H 12 7.197 7.197 8.311 -1.114 19946 52 1 1 . 1 1 13 13 LEU N N 13 120.635 120.635 118.893 1.742 19946 53 1 1 . 1 1 13 13 LEU HA H 13 3.821 3.821 4.138 -0.317 19946 54 1 1 . 1 1 13 13 LEU CA C 13 57.065 57.065 57.591 -0.526 19946 55 1 1 . 1 1 13 13 LEU CB C 13 40.890 40.890 41.995 -1.105 19946 56 1 1 . 1 1 13 13 LEU H H 13 7.554 7.554 7.441 0.113 19946 57 1 1 . 1 1 14 14 ILE N N 14 123.021 123.021 119.314 3.707 19946 58 1 1 . 1 1 14 14 ILE HA H 14 3.827 3.827 4.017 -0.190 19946 59 1 1 . 1 1 14 14 ILE CA C 14 64.053 64.053 64.954 -0.901 19946 60 1 1 . 1 1 14 14 ILE CB C 14 38.115 38.115 37.785 0.330 19946 61 1 1 . 1 1 14 14 ILE H H 14 8.710 8.710 7.714 0.996 19946 62 1 1 . 1 1 15 15 ALA N N 15 124.504 124.504 119.396 5.108 19946 63 1 1 . 1 1 15 15 ALA HA H 15 4.115 4.115 4.224 -0.109 19946 64 1 1 . 1 1 15 15 ALA CA C 15 54.257 54.257 53.484 0.773 19946 65 1 1 . 1 1 15 15 ALA CB C 15 17.040 17.040 18.530 -1.490 19946 66 1 1 . 1 1 15 15 ALA H H 15 7.758 7.758 7.656 0.102 19946 67 1 1 . 1 1 16 16 ARG N N 16 115.990 115.990 117.557 -1.567 19946 68 1 1 . 1 1 16 16 ARG HA H 16 4.348 4.348 4.387 -0.039 19946 69 1 1 . 1 1 16 16 ARG CA C 16 55.416 55.416 56.269 -0.853 19946 70 1 1 . 1 1 16 16 ARG CB C 16 29.762 29.762 31.378 -1.616 19946 71 1 1 . 1 1 16 16 ARG H H 16 7.252 7.252 8.104 -0.852 19946 72 1 1 . 1 1 17 17 GLY N N 17 107.981 107.981 106.671 1.310 19946 73 1 1 . 1 1 17 17 GLY CA C 17 44.854 44.854 44.733 0.121 19946 74 1 1 . 1 1 17 17 GLY H H 17 7.748 7.748 7.809 -0.061 19946 75 1 1 . 1 1 18 18 ALA N N 18 123.914 123.914 122.199 1.715 19946 76 1 1 . 1 1 18 18 ALA HA H 18 4.221 4.221 4.835 -0.614 19946 77 1 1 . 1 1 18 18 ALA CA C 18 52.270 52.270 50.868 1.401 19946 78 1 1 . 1 1 18 18 ALA CB C 18 18.638 18.638 21.235 -2.597 19946 79 1 1 . 1 1 18 18 ALA H H 18 7.940 7.940 7.203 0.737 19946 80 1 1 . 1 1 19 19 LYS N N 19 119.436 119.436 123.819 -4.383 19946 81 1 1 . 1 1 19 19 LYS HA H 19 4.301 4.301 4.422 -0.121 19946 82 1 1 . 1 1 19 19 LYS CA C 19 53.105 53.105 55.851 -2.746 19946 83 1 1 . 1 1 19 19 LYS CB C 19 32.856 32.856 33.563 -0.707 19946 84 1 1 . 1 1 19 19 LYS H H 19 7.565 7.565 8.747 -1.182 19946 85 1 1 . 1 1 20 20 LEU N N 20 127.401 127.401 126.044 1.357 19946 86 1 1 . 1 1 20 20 LEU HA H 20 5.042 5.042 4.710 0.332 19946 87 1 1 . 1 1 20 20 LEU CA C 20 52.314 52.314 53.458 -1.144 19946 88 1 1 . 1 1 20 20 LEU CB C 20 43.234 43.234 43.502 -0.268 19946 89 1 1 . 1 1 20 20 LEU H H 20 8.727 8.727 8.368 0.359 19946 90 1 1 . 1 1 21 21 ILE N N 21 128.186 128.186 127.926 0.260 19946 91 1 1 . 1 1 21 21 ILE HA H 21 4.547 4.547 4.312 0.235 19946 92 1 1 . 1 1 21 21 ILE CA C 21 59.589 59.589 60.079 -0.490 19946 93 1 1 . 1 1 21 21 ILE CB C 21 38.545 38.545 38.886 -0.341 19946 94 1 1 . 1 1 21 21 ILE H H 21 9.366 9.366 7.894 1.472 19946 95 1 1 . 1 1 22 22 ASP N N 22 129.968 129.968 127.297 2.671 19946 96 1 1 . 1 1 22 22 ASP HA H 22 3.803 3.803 4.808 -1.005 19946 97 1 1 . 1 1 22 22 ASP CA C 22 51.435 51.435 52.096 -0.661 19946 98 1 1 . 1 1 22 22 ASP CB C 22 42.062 42.062 40.431 1.631 19946 99 1 1 . 1 1 22 22 ASP H H 22 8.583 8.583 7.848 0.735 19946 100 1 1 . 1 1 23 23 ILE N N 23 116.266 116.266 115.887 0.379 19946 101 1 1 . 1 1 23 23 ILE HA H 23 5.229 5.229 4.096 1.133 19946 102 1 1 . 1 1 23 23 ILE CA C 23 59.374 59.374 60.416 -1.042 19946 103 1 1 . 1 1 23 23 ILE CB C 23 37.327 37.327 36.607 0.720 19946 104 1 1 . 1 1 23 23 ILE H H 23 7.836 7.836 7.885 -0.049 19946 105 1 1 . 1 1 24 24 ARG N N 24 125.001 125.001 120.398 4.603 19946 106 1 1 . 1 1 24 24 ARG HA H 24 4.116 4.116 4.526 -0.410 19946 107 1 1 . 1 1 24 24 ARG CA C 24 55.943 55.943 54.485 1.458 19946 108 1 1 . 1 1 24 24 ARG CB C 24 30.135 30.135 31.948 -1.813 19946 109 1 1 . 1 1 24 24 ARG H H 24 8.195 8.195 7.119 1.076 19946 110 1 1 . 1 1 25 25 ASP N N 25 112.839 112.839 120.060 -7.221 19946 111 1 1 . 1 1 25 25 ASP HA H 25 4.545 4.545 4.651 -0.105 19946 112 1 1 . 1 1 25 25 ASP CA C 25 53.870 53.870 54.679 -0.809 19946 113 1 1 . 1 1 25 25 ASP CB C 25 41.327 41.327 41.368 -0.041 19946 114 1 1 . 1 1 25 25 ASP H H 25 7.660 7.660 8.569 -0.909 19946 115 1 1 . 1 1 26 26 ALA N N 26 122.145 122.145 121.450 0.695 19946 116 1 1 . 1 1 26 26 ALA HA H 26 3.897 3.897 4.372 -0.475 19946 117 1 1 . 1 1 26 26 ALA CA C 26 54.958 54.958 52.967 1.991 19946 118 1 1 . 1 1 26 26 ALA CB C 26 17.520 17.520 20.363 -2.843 19946 119 1 1 . 1 1 26 26 ALA H H 26 8.766 8.766 8.277 0.489 19946 120 1 1 . 1 1 27 27 ASP N N 27 115.380 115.380 118.322 -2.942 19946 121 1 1 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.520 -0.221 19946 122 1 1 . 1 1 27 27 ASP CA C 27 56.451 56.451 56.960 -0.509 19946 123 1 1 . 1 1 27 27 ASP CB C 27 39.156 39.156 40.645 -1.489 19946 124 1 1 . 1 1 27 27 ASP H H 27 8.686 8.686 8.382 0.304 19946 125 1 1 . 1 1 28 28 GLU N N 28 120.081 120.081 117.995 2.086 19946 126 1 1 . 1 1 28 28 GLU HA H 28 4.086 4.086 4.135 -0.049 19946 127 1 1 . 1 1 28 28 GLU CA C 28 58.389 58.389 58.399 -0.010 19946 128 1 1 . 1 1 28 28 GLU CB C 28 28.728 28.728 29.558 -0.830 19946 129 1 1 . 1 1 28 28 GLU H H 28 7.397 7.397 8.772 -1.375 19946 130 1 1 . 1 1 29 29 TYR N N 29 121.205 121.205 116.495 4.710 19946 131 1 1 . 1 1 29 29 TYR HA H 29 4.083 4.083 4.716 -0.633 19946 132 1 1 . 1 1 29 29 TYR CA C 29 60.378 60.378 57.929 2.449 19946 133 1 1 . 1 1 29 29 TYR CB C 29 38.699 38.699 39.327 -0.628 19946 134 1 1 . 1 1 29 29 TYR H H 29 7.506 7.506 7.440 0.066 19946 135 1 1 . 1 1 30 30 LEU N N 30 118.828 118.828 122.348 -3.520 19946 136 1 1 . 1 1 30 30 LEU HA H 30 3.850 3.850 4.011 -0.161 19946 137 1 1 . 1 1 30 30 LEU CA C 30 56.348 56.348 57.530 -1.182 19946 138 1 1 . 1 1 30 30 LEU CB C 30 41.220 41.220 41.950 -0.730 19946 139 1 1 . 1 1 30 30 LEU H H 30 8.211 8.211 7.453 0.758 19946 140 1 1 . 1 1 31 31 ARG N N 31 118.220 118.220 116.378 1.842 19946 141 1 1 . 1 1 31 31 ARG HA H 31 4.101 4.101 4.054 0.047 19946 142 1 1 . 1 1 31 31 ARG CA C 31 58.365 58.365 58.560 -0.195 19946 143 1 1 . 1 1 31 31 ARG CB C 31 30.074 30.074 30.328 -0.254 19946 144 1 1 . 1 1 31 31 ARG H H 31 7.120 7.120 8.424 -1.304 19946 145 1 1 . 1 1 32 32 GLU N N 32 117.980 117.980 116.626 1.354 19946 146 1 1 . 1 1 32 32 GLU HA H 32 4.884 4.884 4.849 0.035 19946 147 1 1 . 1 1 32 32 GLU CA C 32 55.339 55.339 54.931 0.408 19946 148 1 1 . 1 1 32 32 GLU CB C 32 31.698 31.698 33.207 -1.509 19946 149 1 1 . 1 1 32 32 GLU H H 32 7.506 7.506 8.126 -0.620 19946 150 1 1 . 1 1 33 33 HIS N N 33 118.257 118.257 115.227 3.030 19946 151 1 1 . 1 1 33 33 HIS HA H 33 4.643 4.643 4.928 -0.285 19946 152 1 1 . 1 1 33 33 HIS CA C 33 53.766 53.766 54.210 -0.444 19946 153 1 1 . 1 1 33 33 HIS CB C 33 29.940 29.940 31.287 -1.347 19946 154 1 1 . 1 1 33 33 HIS H H 33 8.269 8.269 8.227 0.042 19946 155 1 1 . 1 1 34 34 ILE N N 34 127.809 127.809 123.797 4.012 19946 156 1 1 . 1 1 34 34 ILE HA H 34 3.920 3.920 3.946 -0.026 19946 157 1 1 . 1 1 34 34 ILE CA C 34 59.648 59.648 61.719 -2.071 19946 158 1 1 . 1 1 34 34 ILE CB C 34 37.959 37.959 38.649 -0.690 19946 159 1 1 . 1 1 34 34 ILE H H 34 9.989 9.989 8.807 1.182 19946 160 1 1 . 1 1 35 35 PRO HA H 35 4.198 4.198 4.319 -0.121 19946 161 1 1 . 1 1 36 36 GLU N N 36 114.414 114.414 117.687 -3.273 19946 162 1 1 . 1 1 36 36 GLU HA H 36 4.082 4.082 4.098 -0.016 19946 163 1 1 . 1 1 36 36 GLU CA C 36 57.861 57.861 56.804 1.057 19946 164 1 1 . 1 1 36 36 GLU CB C 36 28.109 28.109 29.877 -1.768 19946 165 1 1 . 1 1 36 36 GLU H H 36 8.557 8.557 8.209 0.348 19946 166 1 1 . 1 1 37 37 ALA N N 37 122.882 122.882 121.489 1.393 19946 167 1 1 . 1 1 37 37 ALA HA H 37 4.439 4.439 4.111 0.328 19946 168 1 1 . 1 1 37 37 ALA CA C 37 52.005 52.005 53.202 -1.197 19946 169 1 1 . 1 1 37 37 ALA CB C 37 20.438 20.438 18.970 1.468 19946 170 1 1 . 1 1 37 37 ALA H H 37 8.096 8.096 8.166 -0.070 19946 171 1 1 . 1 1 38 38 ASP N N 38 124.471 124.471 118.661 5.810 19946 172 1 1 . 1 1 38 38 ASP HA H 38 4.844 4.844 4.714 0.130 19946 173 1 1 . 1 1 38 38 ASP CA C 38 52.614 52.614 53.974 -1.360 19946 174 1 1 . 1 1 38 38 ASP CB C 38 44.407 44.407 42.200 2.207 19946 175 1 1 . 1 1 38 38 ASP H H 38 9.004 9.004 9.342 -0.338 19946 176 1 1 . 1 1 39 39 LEU N N 39 123.936 123.936 123.362 0.574 19946 177 1 1 . 1 1 39 39 LEU HA H 39 4.328 4.328 3.966 0.362 19946 178 1 1 . 1 1 39 39 LEU CA C 39 54.037 54.037 57.081 -3.045 19946 179 1 1 . 1 1 39 39 LEU CB C 39 41.220 41.220 41.841 -0.621 19946 180 1 1 . 1 1 39 39 LEU H H 39 8.125 8.125 8.704 -0.579 19946 181 1 1 . 1 1 40 40 ALA N N 40 131.297 131.297 127.142 4.155 19946 182 1 1 . 1 1 40 40 ALA HA H 40 4.408 4.408 4.489 -0.081 19946 183 1 1 . 1 1 40 40 ALA CA C 40 48.784 48.784 50.411 -1.627 19946 184 1 1 . 1 1 40 40 ALA CB C 40 17.979 17.979 19.361 -1.382 19946 185 1 1 . 1 1 40 40 ALA H H 40 8.654 8.654 8.008 0.646 19946 186 1 1 . 1 1 41 41 PRO HA H 41 4.101 4.101 4.591 -0.490 19946 187 1 1 . 1 1 41 41 PRO CA C 41 61.391 61.391 62.112 -0.721 19946 188 1 1 . 1 1 41 41 PRO CB C 41 32.097 32.097 32.559 -0.461 19946 189 1 1 . 1 1 42 42 LEU N N 42 125.312 125.312 119.222 6.090 19946 190 1 1 . 1 1 42 42 LEU HA H 42 3.871 3.871 3.926 -0.055 19946 191 1 1 . 1 1 42 42 LEU CA C 42 57.861 57.861 58.850 -0.989 19946 192 1 1 . 1 1 42 42 LEU CB C 42 40.941 40.941 41.115 -0.174 19946 193 1 1 . 1 1 42 42 LEU H H 42 8.285 8.285 8.606 -0.321 19946 194 1 1 . 1 1 43 43 SER N N 43 110.669 110.669 113.928 -3.259 19946 195 1 1 . 1 1 43 43 SER HA H 43 4.106 4.106 4.186 -0.080 19946 196 1 1 . 1 1 43 43 SER CA C 43 60.497 60.497 61.787 -1.290 19946 197 1 1 . 1 1 43 43 SER CB C 43 61.391 61.391 62.271 -0.880 19946 198 1 1 . 1 1 43 43 SER H H 43 8.453 8.453 8.297 0.156 19946 199 1 1 . 1 1 44 44 VAL N N 44 123.933 123.933 121.643 2.290 19946 200 1 1 . 1 1 44 44 VAL HA H 44 3.821 3.821 3.789 0.032 19946 201 1 1 . 1 1 44 44 VAL CA C 44 64.752 64.752 66.536 -1.784 19946 202 1 1 . 1 1 44 44 VAL CB C 44 31.135 31.135 31.704 -0.569 19946 203 1 1 . 1 1 44 44 VAL H H 44 7.156 7.156 8.305 -1.149 19946 204 1 1 . 1 1 45 45 LEU N N 45 121.150 121.150 119.027 2.123 19946 205 1 1 . 1 1 45 45 LEU HA H 45 3.767 3.767 4.417 -0.650 19946 206 1 1 . 1 1 45 45 LEU CA C 45 56.599 56.599 57.706 -1.107 19946 207 1 1 . 1 1 45 45 LEU CB C 45 40.890 40.890 41.203 -0.312 19946 208 1 1 . 1 1 45 45 LEU H H 45 7.997 7.997 8.853 -0.856 19946 209 1 1 . 1 1 46 46 GLU N N 46 116.256 116.256 118.752 -2.496 19946 210 1 1 . 1 1 46 46 GLU HA H 46 3.678 3.678 4.278 -0.600 19946 211 1 1 . 1 1 46 46 GLU CA C 46 58.365 58.365 58.081 0.284 19946 212 1 1 . 1 1 46 46 GLU CB C 46 29.622 29.622 29.968 -0.346 19946 213 1 1 . 1 1 46 46 GLU H H 46 8.501 8.501 8.215 0.286 19946 214 1 1 . 1 1 47 47 GLN N N 47 117.261 117.261 117.511 -0.250 19946 215 1 1 . 1 1 47 47 GLN HA H 47 4.216 4.216 4.162 0.054 19946 216 1 1 . 1 1 47 47 GLN CA C 47 56.852 56.852 58.131 -1.279 19946 217 1 1 . 1 1 47 47 GLN CB C 47 29.119 29.119 29.303 -0.184 19946 218 1 1 . 1 1 47 47 GLN H H 47 7.407 7.407 8.284 -0.877 19946 219 1 1 . 1 1 48 48 SER N N 48 111.890 111.890 111.935 -0.045 19946 220 1 1 . 1 1 48 48 SER HA H 48 4.641 4.641 4.444 0.197 19946 221 1 1 . 1 1 48 48 SER CA C 48 57.956 57.956 59.109 -1.153 19946 222 1 1 . 1 1 48 48 SER CB C 48 63.912 63.912 65.402 -1.490 19946 223 1 1 . 1 1 48 48 SER H H 48 8.566 8.566 8.123 0.443 19946 224 1 1 . 1 1 49 49 GLY N N 49 111.545 111.545 109.554 1.991 19946 225 1 1 . 1 1 49 49 GLY CA C 49 43.894 43.894 44.472 -0.578 19946 226 1 1 . 1 1 49 49 GLY H H 49 7.836 7.836 7.952 -0.116 19946 227 1 1 . 1 1 50 50 LEU N N 50 121.541 121.541 122.283 -0.742 19946 228 1 1 . 1 1 50 50 LEU HA H 50 4.239 4.239 4.534 -0.295 19946 229 1 1 . 1 1 50 50 LEU CA C 50 51.985 51.985 54.125 -2.140 19946 230 1 1 . 1 1 50 50 LEU CB C 50 42.648 42.648 42.299 0.349 19946 231 1 1 . 1 1 50 50 LEU H H 50 8.564 8.564 8.284 0.280 19946 232 1 1 . 1 1 51 51 PRO HA H 51 4.243 4.243 4.597 -0.354 19946 233 1 1 . 1 1 51 51 PRO CB C 51 31.639 31.639 29.668 1.971 19946 234 1 1 . 1 1 52 52 ALA N N 52 127.008 127.008 128.448 -1.440 19946 235 1 1 . 1 1 52 52 ALA HA H 52 3.790 3.790 3.973 -0.183 19946 236 1 1 . 1 1 52 52 ALA CA C 52 54.835 54.835 55.715 -0.880 19946 237 1 1 . 1 1 52 52 ALA CB C 52 17.715 17.715 18.512 -0.797 19946 238 1 1 . 1 1 52 52 ALA H H 52 8.564 8.564 8.489 0.075 19946 239 1 1 . 1 1 53 53 LYS N N 53 114.535 114.535 115.271 -0.736 19946 240 1 1 . 1 1 53 53 LYS HA H 53 4.106 4.106 4.123 -0.017 19946 241 1 1 . 1 1 53 53 LYS CA C 53 56.852 56.852 57.810 -0.958 19946 242 1 1 . 1 1 53 53 LYS CB C 53 31.386 31.386 31.705 -0.319 19946 243 1 1 . 1 1 53 53 LYS H H 53 8.364 8.364 8.696 -0.332 19946 244 1 1 . 1 1 54 54 LEU N N 54 118.515 118.515 117.620 0.895 19946 245 1 1 . 1 1 54 54 LEU HA H 54 4.247 4.247 4.562 -0.315 19946 246 1 1 . 1 1 54 54 LEU CA C 54 53.338 53.338 53.627 -0.289 19946 247 1 1 . 1 1 54 54 LEU CB C 54 40.890 40.890 41.998 -1.107 19946 248 1 1 . 1 1 54 54 LEU H H 54 7.745 7.745 7.633 0.112 19946 249 1 1 . 1 1 55 55 ARG N N 55 117.612 117.612 121.159 -3.547 19946 250 1 1 . 1 1 55 55 ARG HA H 55 3.927 3.927 4.648 -0.721 19946 251 1 1 . 1 1 55 55 ARG CA C 55 56.832 56.832 55.604 1.228 19946 252 1 1 . 1 1 55 55 ARG CB C 55 28.610 28.610 32.271 -3.661 19946 253 1 1 . 1 1 55 55 ARG H H 55 6.938 6.938 8.108 -1.170 19946 254 1 1 . 1 1 56 56 HIS N N 56 123.269 123.269 124.474 -1.205 19946 255 1 1 . 1 1 56 56 HIS HA H 56 4.614 4.614 4.755 -0.141 19946 256 1 1 . 1 1 56 56 HIS CA C 56 54.835 54.835 56.046 -1.211 19946 257 1 1 . 1 1 56 56 HIS CB C 56 32.648 32.648 31.314 1.334 19946 258 1 1 . 1 1 56 56 HIS H H 56 7.237 7.237 8.642 -1.405 19946 259 1 1 . 1 1 57 57 GLU N N 57 120.895 120.895 118.156 2.739 19946 260 1 1 . 1 1 57 57 GLU HA H 57 3.976 3.976 4.429 -0.453 19946 261 1 1 . 1 1 57 57 GLU CA C 57 58.871 58.871 56.749 2.122 19946 262 1 1 . 1 1 57 57 GLU CB C 57 29.158 29.158 31.759 -2.601 19946 263 1 1 . 1 1 57 57 GLU H H 57 7.625 7.625 8.565 -0.940 19946 264 1 1 . 1 1 58 58 GLN N N 58 118.485 118.485 119.051 -0.566 19946 265 1 1 . 1 1 58 58 GLN HA H 58 5.425 5.425 4.970 0.455 19946 266 1 1 . 1 1 58 58 GLN CA C 58 54.910 54.910 54.846 0.064 19946 267 1 1 . 1 1 58 58 GLN CB C 58 32.285 32.285 31.166 1.119 19946 268 1 1 . 1 1 58 58 GLN H H 58 8.335 8.335 8.222 0.113 19946 269 1 1 . 1 1 59 59 ILE N N 59 123.505 123.505 121.367 2.138 19946 270 1 1 . 1 1 59 59 ILE HA H 59 4.492 4.492 4.835 -0.343 19946 271 1 1 . 1 1 59 59 ILE CA C 59 58.869 58.869 59.764 -0.895 19946 272 1 1 . 1 1 59 59 ILE CB C 59 42.332 42.332 40.967 1.365 19946 273 1 1 . 1 1 59 59 ILE H H 59 8.704 8.704 8.839 -0.135 19946 274 1 1 . 1 1 60 60 ILE N N 60 126.464 126.464 122.239 4.225 19946 275 1 1 . 1 1 60 60 ILE HA H 60 4.954 4.954 4.729 0.225 19946 276 1 1 . 1 1 60 60 ILE CA C 60 57.357 57.357 59.811 -2.454 19946 277 1 1 . 1 1 60 60 ILE CB C 60 39.131 39.131 41.974 -2.843 19946 278 1 1 . 1 1 60 60 ILE H H 60 9.006 9.006 8.165 0.841 19946 279 1 1 . 1 1 61 61 PHE N N 61 124.441 124.441 123.507 0.934 19946 280 1 1 . 1 1 61 61 PHE HA H 61 5.795 5.795 5.072 0.723 19946 281 1 1 . 1 1 61 61 PHE CA C 61 56.131 56.131 57.243 -1.112 19946 282 1 1 . 1 1 61 61 PHE CB C 61 42.879 42.879 41.268 1.611 19946 283 1 1 . 1 1 61 61 PHE H H 61 8.938 8.938 8.861 0.077 19946 284 1 1 . 1 1 62 62 HIS N N 62 117.494 117.494 123.976 -6.482 19946 285 1 1 . 1 1 62 62 HIS HA H 62 5.928 5.928 4.835 1.093 19946 286 1 1 . 1 1 62 62 HIS CA C 62 53.322 53.322 57.148 -3.826 19946 287 1 1 . 1 1 62 62 HIS CB C 62 35.673 35.673 34.205 1.468 19946 288 1 1 . 1 1 62 62 HIS H H 62 9.230 9.230 8.118 1.112 19946 289 1 1 . 1 1 63 63 CYS N N 63 120.220 120.220 120.499 -0.279 19946 290 1 1 . 1 1 63 63 CYS HA H 63 5.033 5.033 4.495 0.538 19946 291 1 1 . 1 1 63 63 CYS CA C 63 56.131 56.131 59.248 -3.117 19946 292 1 1 . 1 1 63 63 CYS CB C 63 28.109 28.109 26.856 1.253 19946 293 1 1 . 1 1 63 63 CYS H H 63 8.131 8.131 8.495 -0.364 19946 294 1 1 . 1 1 65 65 ALA N N 65 119.272 119.272 122.232 -2.960 19946 295 1 1 . 1 1 65 65 ALA HA H 65 5.063 5.063 4.670 0.393 19946 296 1 1 . 1 1 65 65 ALA CA C 65 49.793 49.793 51.526 -1.733 19946 297 1 1 . 1 1 65 65 ALA CB C 65 19.775 19.775 18.729 1.046 19946 298 1 1 . 1 1 65 65 ALA H H 65 8.967 8.967 8.408 0.559 19946 299 1 1 . 1 1 66 66 GLY N N 66 113.296 113.296 107.861 5.435 19946 300 1 1 . 1 1 66 66 GLY CA C 66 44.934 44.934 45.370 -0.437 19946 301 1 1 . 1 1 66 66 GLY H H 66 8.778 8.778 7.968 0.810 19946 302 1 1 . 1 1 67 67 LYS N N 67 121.300 121.300 122.934 -1.634 19946 303 1 1 . 1 1 67 67 LYS HA H 67 4.211 4.211 4.557 -0.346 19946 304 1 1 . 1 1 67 67 LYS H H 67 8.111 8.111 8.637 -0.526 19946 305 1 1 . 1 1 68 68 ARG N N 68 126.092 126.092 121.838 4.254 19946 306 1 1 . 1 1 68 68 ARG H H 68 9.067 9.067 8.079 0.988 19946 307 1 1 . 1 1 69 69 THR N N 69 117.153 117.153 117.563 -0.410 19946 308 1 1 . 1 1 69 69 THR HA H 69 3.576 3.576 4.347 -0.771 19946 309 1 1 . 1 1 69 69 THR CA C 69 65.397 65.397 63.925 1.472 19946 310 1 1 . 1 1 69 69 THR CB C 69 66.938 66.938 69.156 -2.218 19946 311 1 1 . 1 1 69 69 THR H H 69 10.233 10.233 8.495 1.738 19946 312 1 1 . 1 1 70 70 SER N N 70 113.686 113.686 117.061 -3.375 19946 313 1 1 . 1 1 70 70 SER HA H 70 4.091 4.091 4.197 -0.106 19946 314 1 1 . 1 1 70 70 SER CA C 70 61.391 61.391 60.870 0.520 19946 315 1 1 . 1 1 70 70 SER CB C 70 65.425 65.425 62.883 2.542 19946 316 1 1 . 1 1 70 70 SER H H 70 7.322 7.322 8.540 -1.218 19946 317 1 1 . 1 1 71 71 ASN N N 71 118.257 118.257 117.877 0.380 19946 318 1 1 . 1 1 71 71 ASN HA H 71 4.177 4.177 4.493 -0.316 19946 319 1 1 . 1 1 71 71 ASN CA C 71 54.736 54.736 55.873 -1.137 19946 320 1 1 . 1 1 71 71 ASN CB C 71 38.391 38.391 38.488 -0.097 19946 321 1 1 . 1 1 71 71 ASN H H 71 7.863 7.863 8.371 -0.508 19946 322 1 1 . 1 1 72 72 ASN N N 72 115.529 115.529 115.887 -0.358 19946 323 1 1 . 1 1 72 72 ASN HA H 72 5.127 5.127 5.130 -0.003 19946 324 1 1 . 1 1 72 72 ASN CA C 72 52.173 52.173 52.191 -0.017 19946 325 1 1 . 1 1 72 72 ASN CB C 72 39.165 39.165 38.380 0.785 19946 326 1 1 . 1 1 72 72 ASN H H 72 7.238 7.238 7.925 -0.687 19946 327 1 1 . 1 1 73 73 ALA N N 73 125.388 125.388 122.154 3.234 19946 328 1 1 . 1 1 73 73 ALA HA H 73 3.639 3.639 4.388 -0.749 19946 329 1 1 . 1 1 73 73 ALA CA C 73 56.133 56.133 53.450 2.683 19946 330 1 1 . 1 1 73 73 ALA CB C 73 18.528 18.528 19.635 -1.107 19946 331 1 1 . 1 1 73 73 ALA H H 73 7.081 7.081 7.335 -0.254 19946 332 1 1 . 1 1 74 74 ASP N N 74 115.501 115.501 119.804 -4.303 19946 333 1 1 . 1 1 74 74 ASP HA H 74 4.135 4.135 4.374 -0.239 19946 334 1 1 . 1 1 74 74 ASP CA C 74 55.891 55.891 56.367 -0.477 19946 335 1 1 . 1 1 74 74 ASP CB C 74 38.699 38.699 39.818 -1.119 19946 336 1 1 . 1 1 74 74 ASP H H 74 8.346 8.346 8.268 0.078 19946 337 1 1 . 1 1 75 75 LYS N N 75 122.469 122.469 120.784 1.685 19946 338 1 1 . 1 1 75 75 LYS HA H 75 4.024 4.024 3.996 0.028 19946 339 1 1 . 1 1 75 75 LYS CA C 75 57.861 57.861 58.687 -0.826 19946 340 1 1 . 1 1 75 75 LYS CB C 75 31.660 31.660 32.288 -0.628 19946 341 1 1 . 1 1 75 75 LYS H H 75 7.583 7.583 8.343 -0.760 19946 342 1 1 . 1 1 76 76 LEU N N 76 119.196 119.196 118.610 0.586 19946 343 1 1 . 1 1 76 76 LEU HA H 76 3.570 3.570 3.978 -0.408 19946 344 1 1 . 1 1 76 76 LEU CA C 76 56.852 56.852 57.295 -0.443 19946 345 1 1 . 1 1 76 76 LEU CB C 76 39.245 39.245 41.626 -2.381 19946 346 1 1 . 1 1 76 76 LEU H H 76 8.069 8.069 7.555 0.514 19946 347 1 1 . 1 1 77 77 ALA N N 77 120.302 120.302 120.614 -0.312 19946 348 1 1 . 1 1 77 77 ALA HA H 77 3.985 3.985 3.768 0.217 19946 349 1 1 . 1 1 77 77 ALA CA C 77 53.794 53.794 53.897 -0.103 19946 350 1 1 . 1 1 77 77 ALA CB C 77 17.353 17.353 18.304 -0.951 19946 351 1 1 . 1 1 77 77 ALA H H 77 8.063 8.063 8.007 0.056 19946 352 1 1 . 1 1 78 78 ALA N N 78 119.602 119.602 117.840 1.762 19946 353 1 1 . 1 1 78 78 ALA HA H 78 4.138 4.138 4.231 -0.093 19946 354 1 1 . 1 1 78 78 ALA CA C 78 54.049 54.049 52.938 1.111 19946 355 1 1 . 1 1 78 78 ALA CB C 78 17.520 17.520 19.312 -1.792 19946 356 1 1 . 1 1 78 78 ALA H H 78 7.274 7.274 7.330 -0.056 19946 357 1 1 . 1 1 79 79 ILE N N 79 118.809 118.809 119.384 -0.575 19946 358 1 1 . 1 1 79 79 ILE HA H 79 3.798 3.798 3.773 0.025 19946 359 1 1 . 1 1 79 79 ILE CA C 79 63.354 63.354 63.248 0.106 19946 360 1 1 . 1 1 79 79 ILE CB C 79 38.422 38.422 38.798 -0.376 19946 361 1 1 . 1 1 79 79 ILE H H 79 8.170 8.170 7.669 0.501 19946 362 1 1 . 1 1 80 80 ALA N N 80 118.736 118.736 118.975 -0.239 19946 363 1 1 . 1 1 80 80 ALA HA H 80 4.412 4.412 4.395 0.017 19946 364 1 1 . 1 1 80 80 ALA CA C 80 50.801 50.801 51.025 -0.224 19946 365 1 1 . 1 1 80 80 ALA CB C 80 19.537 19.537 18.226 1.311 19946 366 1 1 . 1 1 80 80 ALA H H 80 7.857 7.857 7.432 0.425 19946 367 1 1 . 1 1 81 81 ALA N N 81 124.485 124.485 122.517 1.968 19946 368 1 1 . 1 1 81 81 ALA HA H 81 4.353 4.353 4.958 -0.605 19946 369 1 1 . 1 1 81 81 ALA CA C 81 51.305 51.305 49.439 1.866 19946 370 1 1 . 1 1 81 81 ALA CB C 81 16.511 16.511 18.871 -2.360 19946 371 1 1 . 1 1 81 81 ALA H H 81 7.191 7.191 7.015 0.176 19946 372 1 1 . 1 1 82 82 PRO CA C 82 62.903 62.903 63.176 -0.273 19946 373 1 1 . 1 1 83 83 ALA N N 83 128.367 128.367 124.945 3.422 19946 374 1 1 . 1 1 83 83 ALA HA H 83 4.058 4.058 4.477 -0.419 19946 375 1 1 . 1 1 83 83 ALA CA C 83 52.314 52.314 51.930 0.384 19946 376 1 1 . 1 1 83 83 ALA CB C 83 19.001 19.001 21.889 -2.888 19946 377 1 1 . 1 1 83 83 ALA H H 83 8.472 8.472 8.191 0.281 19946 378 1 1 . 1 1 84 84 GLU N N 84 122.108 122.108 120.902 1.206 19946 379 1 1 . 1 1 84 84 GLU HA H 84 4.164 4.164 4.551 -0.388 19946 380 1 1 . 1 1 84 84 GLU CA C 84 55.937 55.937 55.765 0.172 19946 381 1 1 . 1 1 84 84 GLU CB C 84 30.213 30.213 30.115 0.098 19946 382 1 1 . 1 1 84 84 GLU H H 84 8.106 8.106 8.356 -0.250 19946 383 1 1 . 1 1 85 85 ILE N N 85 122.808 122.808 123.337 -0.529 19946 384 1 1 . 1 1 85 85 ILE HA H 85 5.211 5.211 5.318 -0.107 19946 385 1 1 . 1 1 85 85 ILE CA C 85 58.365 58.365 58.384 -0.019 19946 386 1 1 . 1 1 85 85 ILE CB C 85 39.707 39.707 38.605 1.102 19946 387 1 1 . 1 1 85 85 ILE H H 85 7.850 7.850 7.864 -0.014 19946 388 1 1 . 1 1 86 86 PHE N N 86 122.937 122.937 121.499 1.438 19946 389 1 1 . 1 1 86 86 PHE HA H 86 5.388 5.388 5.035 0.353 19946 390 1 1 . 1 1 86 86 PHE CA C 86 54.509 54.509 57.043 -2.534 19946 391 1 1 . 1 1 86 86 PHE CB C 86 42.878 42.878 43.986 -1.108 19946 392 1 1 . 1 1 86 86 PHE H H 86 9.004 9.004 8.091 0.913 19946 393 1 1 . 1 1 87 87 LEU N N 87 120.712 120.712 118.675 2.037 19946 394 1 1 . 1 1 87 87 LEU HA H 87 5.295 5.295 5.312 -0.017 19946 395 1 1 . 1 1 87 87 LEU CA C 87 51.810 51.810 53.171 -1.361 19946 396 1 1 . 1 1 87 87 LEU CB C 87 42.059 42.059 45.101 -3.042 19946 397 1 1 . 1 1 87 87 LEU H H 87 8.785 8.785 9.111 -0.326 19946 398 1 1 . 1 1 88 88 LEU N N 88 124.779 124.779 121.441 3.338 19946 399 1 1 . 1 1 88 88 LEU HA H 88 4.434 4.434 4.486 -0.052 19946 400 1 1 . 1 1 88 88 LEU CA C 88 54.331 54.331 53.411 0.920 19946 401 1 1 . 1 1 88 88 LEU CB C 88 42.648 42.648 44.037 -1.389 19946 402 1 1 . 1 1 88 88 LEU H H 88 8.243 8.243 7.797 0.446 19946 403 1 1 . 1 1 89 89 GLU N N 89 112.478 112.478 126.853 -14.375 19946 404 1 1 . 1 1 89 89 GLU HA H 89 3.881 3.881 3.953 -0.072 19946 405 1 1 . 1 1 89 89 GLU H H 89 9.343 9.343 8.154 1.189 19946 406 1 1 . 1 1 90 90 ASP N N 90 120.709 120.709 124.403 -3.694 19946 407 1 1 . 1 1 90 90 ASP HA H 90 4.168 4.168 4.377 -0.209 19946 408 1 1 . 1 1 90 90 ASP H H 90 9.062 9.062 8.571 0.491 19946 409 1 1 . 1 1 91 91 GLY N N 91 105.049 105.049 111.251 -6.202 19946 410 1 1 . 1 1 91 91 GLY CA C 91 46.263 46.263 44.895 1.368 19946 411 1 1 . 1 1 91 91 GLY H H 91 7.848 7.848 8.165 -0.317 19946 412 1 1 . 1 1 92 92 ILE N N 92 122.127 122.127 122.669 -0.542 19946 413 1 1 . 1 1 92 92 ILE HA H 92 3.811 3.811 4.022 -0.211 19946 414 1 1 . 1 1 92 92 ILE CA C 92 62.656 62.656 63.193 -0.537 19946 415 1 1 . 1 1 92 92 ILE CB C 92 37.243 37.243 38.073 -0.830 19946 416 1 1 . 1 1 92 92 ILE H H 92 8.077 8.077 8.486 -0.409 19946 417 1 1 . 1 1 93 93 ASP N N 93 127.038 127.038 119.268 7.770 19946 418 1 1 . 1 1 93 93 ASP HA H 93 4.452 4.452 4.346 0.106 19946 419 1 1 . 1 1 93 93 ASP CA C 93 57.357 57.357 57.652 -0.295 19946 420 1 1 . 1 1 93 93 ASP CB C 93 38.194 38.194 40.394 -2.200 19946 421 1 1 . 1 1 93 93 ASP H H 93 9.094 9.094 8.438 0.655 19946 422 1 1 . 1 1 94 94 GLY N N 94 111.411 111.411 109.671 1.740 19946 423 1 1 . 1 1 94 94 GLY CA C 94 44.750 44.750 46.678 -1.928 19946 424 1 1 . 1 1 94 94 GLY H H 94 8.047 8.047 8.498 -0.451 19946 425 1 1 . 1 1 95 95 TRP N N 95 127.574 127.574 125.790 1.784 19946 426 1 1 . 1 1 95 95 TRP HA H 95 3.738 3.738 4.349 -0.611 19946 427 1 1 . 1 1 95 95 TRP CA C 95 60.852 60.852 59.093 1.759 19946 428 1 1 . 1 1 95 95 TRP CB C 95 28.613 28.613 29.385 -0.772 19946 429 1 1 . 1 1 95 95 TRP H H 95 7.918 7.918 8.099 -0.181 19946 430 1 1 . 1 1 96 96 LYS N N 96 117.374 117.374 119.513 -2.139 19946 431 1 1 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.052 0.027 19946 432 1 1 . 1 1 96 96 LYS CA C 96 59.091 59.091 56.990 2.101 19946 433 1 1 . 1 1 96 96 LYS H H 96 8.625 8.625 8.761 -0.136 19946 434 1 1 . 1 1 97 97 LYS N N 97 123.490 123.490 120.548 2.942 19946 435 1 1 . 1 1 97 97 LYS HA H 97 4.021 4.021 4.087 -0.066 19946 436 1 1 . 1 1 97 97 LYS CB C 97 31.542 31.542 32.337 -0.795 19946 437 1 1 . 1 1 97 97 LYS H H 97 8.233 8.233 7.899 0.334 19946 438 1 1 . 1 1 98 98 ALA N N 98 120.321 120.321 119.127 1.194 19946 439 1 1 . 1 1 98 98 ALA HA H 98 4.248 4.248 4.418 -0.170 19946 440 1 1 . 1 1 98 98 ALA CA C 98 51.305 51.305 50.856 0.449 19946 441 1 1 . 1 1 98 98 ALA CB C 98 17.744 17.744 19.090 -1.346 19946 442 1 1 . 1 1 98 98 ALA H H 98 7.480 7.480 7.146 0.334 19946 443 1 1 . 1 1 99 99 GLY N N 99 106.984 106.984 109.052 -2.068 19946 444 1 1 . 1 1 99 99 GLY CA C 99 44.246 44.246 46.026 -1.780 19946 445 1 1 . 1 1 99 99 GLY H H 99 7.867 7.867 8.054 -0.187 19946 446 1 1 . 1 1 100 100 LEU N N 100 122.993 122.993 120.891 2.102 19946 447 1 1 . 1 1 100 100 LEU HA H 100 4.277 4.277 4.394 -0.117 19946 448 1 1 . 1 1 100 100 LEU CA C 100 52.314 52.314 50.438 1.876 19946 449 1 1 . 1 1 100 100 LEU CB C 100 36.786 36.786 42.176 -5.390 19946 450 1 1 . 1 1 100 100 LEU H H 100 6.958 6.958 7.033 -0.075 19946 451 1 1 . 1 1 101 101 PRO HA H 101 4.492 4.492 4.575 -0.083 19946 452 1 1 . 1 1 101 101 PRO CB C 101 32.097 32.097 32.096 0.001 19946 453 1 1 . 1 1 102 102 VAL N N 102 111.514 111.514 115.213 -3.699 19946 454 1 1 . 1 1 102 102 VAL HA H 102 4.367 4.367 4.519 -0.152 19946 455 1 1 . 1 1 102 102 VAL CA C 102 58.869 58.869 59.788 -0.919 19946 456 1 1 . 1 1 102 102 VAL CB C 102 35.351 35.351 32.454 2.897 19946 457 1 1 . 1 1 102 102 VAL H H 102 7.988 7.988 7.927 0.061 19946 458 1 1 . 1 1 103 103 ALA N N 103 126.676 126.676 122.624 4.052 19946 459 1 1 . 1 1 103 103 ALA HA H 103 4.524 4.524 4.252 0.272 19946 460 1 1 . 1 1 103 103 ALA CA C 103 49.793 49.793 51.321 -1.528 19946 461 1 1 . 1 1 103 103 ALA CB C 103 18.600 18.600 18.675 -0.075 19946 462 1 1 . 1 1 103 103 ALA H H 103 8.919 8.919 8.385 0.534 19946 463 1 1 . 1 1 104 104 VAL N N 104 121.148 121.148 123.144 -1.996 19946 464 1 1 . 1 1 104 104 VAL HA H 104 4.475 4.475 4.591 -0.116 19946 465 1 1 . 1 1 104 104 VAL CA C 104 59.374 59.374 59.554 -0.180 19946 466 1 1 . 1 1 104 104 VAL CB C 104 33.884 33.884 33.668 0.216 19946 467 1 1 . 1 1 104 104 VAL H H 104 8.241 8.241 7.852 0.389 19946 468 1 1 . 1 1 105 105 ASN N N 105 123.816 123.816 118.444 5.372 19946 469 1 1 . 1 1 105 105 ASN HA H 105 4.674 4.674 4.520 0.154 19946 470 1 1 . 1 1 105 105 ASN CA C 105 53.200 53.200 55.252 -2.053 19946 471 1 1 . 1 1 105 105 ASN CB C 105 37.959 37.959 38.746 -0.787 19946 472 1 1 . 1 1 105 105 ASN H H 105 8.150 8.150 8.426 -0.276 19946 473 1 1 . 1 1 106 106 LYS N N 106 123.804 123.804 119.464 4.340 19946 474 1 1 . 1 1 106 106 LYS H H 106 8.340 8.340 7.885 0.455 19946 475 1 2 . 1 1 2 2 LEU N N 2 120.763 120.763 121.407 -0.644 19946 476 1 2 . 1 1 2 2 LEU HA H 2 4.384 4.384 4.186 0.198 19946 477 1 2 . 1 1 2 2 LEU CA C 2 53.827 53.827 55.841 -2.014 19946 478 1 2 . 1 1 2 2 LEU CB C 2 42.229 42.229 39.924 2.305 19946 479 1 2 . 1 1 2 2 LEU H H 2 7.888 7.888 8.610 -0.722 19946 480 1 2 . 1 1 3 3 THR N N 3 118.330 118.330 119.800 -1.470 19946 481 1 2 . 1 1 3 3 THR HA H 3 4.469 4.469 4.775 -0.306 19946 482 1 2 . 1 1 3 3 THR CA C 3 61.391 61.391 60.749 0.642 19946 483 1 2 . 1 1 3 3 THR CB C 3 69.496 69.496 71.092 -1.596 19946 484 1 2 . 1 1 3 3 THR H H 3 7.905 7.905 8.198 -0.293 19946 485 1 2 . 1 1 4 4 THR N N 4 122.024 122.024 116.249 5.775 19946 486 1 2 . 1 1 4 4 THR HA H 4 5.171 5.171 5.226 -0.055 19946 487 1 2 . 1 1 4 4 THR CA C 4 61.595 61.595 61.750 -0.155 19946 488 1 2 . 1 1 4 4 THR CB C 4 69.027 69.027 70.150 -1.123 19946 489 1 2 . 1 1 4 4 THR H H 4 8.504 8.504 8.362 0.142 19946 490 1 2 . 1 1 5 5 ILE N N 5 122.667 122.667 122.236 0.431 19946 491 1 2 . 1 1 5 5 ILE HA H 5 4.973 4.973 4.754 0.219 19946 492 1 2 . 1 1 5 5 ILE CA C 5 57.971 57.971 58.893 -0.922 19946 493 1 2 . 1 1 5 5 ILE CB C 5 41.458 41.458 41.978 -0.520 19946 494 1 2 . 1 1 5 5 ILE H H 5 8.903 8.903 8.340 0.563 19946 495 1 2 . 1 1 6 6 SER N N 6 123.156 123.156 114.887 8.269 19946 496 1 2 . 1 1 6 6 SER HA H 6 4.785 4.785 4.984 -0.199 19946 497 1 2 . 1 1 6 6 SER H H 6 9.138 9.138 8.342 0.796 19946 498 1 2 . 1 1 7 7 PRO HA H 7 4.004 4.004 4.669 -0.665 19946 499 1 2 . 1 1 7 7 PRO CA C 7 65.510 65.510 63.588 1.922 19946 500 1 2 . 1 1 7 7 PRO CB C 7 30.924 30.924 30.214 0.710 19946 501 1 2 . 1 1 8 8 HIS N N 8 114.319 114.319 118.195 -3.876 19946 502 1 2 . 1 1 8 8 HIS HA H 8 3.989 3.989 4.804 -0.815 19946 503 1 2 . 1 1 8 8 HIS CA C 8 60.050 60.050 57.754 2.296 19946 504 1 2 . 1 1 8 8 HIS CB C 8 28.613 28.613 32.082 -3.469 19946 505 1 2 . 1 1 8 8 HIS H H 8 8.127 8.127 8.561 -0.434 19946 506 1 2 . 1 1 9 9 ASP N N 9 121.300 121.300 119.342 1.958 19946 507 1 2 . 1 1 9 9 ASP HA H 9 4.301 4.301 4.731 -0.430 19946 508 1 2 . 1 1 9 9 ASP CA C 9 56.455 56.455 55.046 1.409 19946 509 1 2 . 1 1 9 9 ASP CB C 9 38.699 38.699 42.597 -3.898 19946 510 1 2 . 1 1 9 9 ASP H H 9 7.639 7.639 8.104 -0.465 19946 511 1 2 . 1 1 10 10 ALA N N 10 123.991 123.991 122.974 1.017 19946 512 1 2 . 1 1 10 10 ALA HA H 10 3.719 3.719 4.194 -0.475 19946 513 1 2 . 1 1 10 10 ALA CA C 10 54.331 54.331 54.937 -0.606 19946 514 1 2 . 1 1 10 10 ALA CB C 10 17.549 17.549 18.675 -1.126 19946 515 1 2 . 1 1 10 10 ALA H H 10 8.820 8.820 7.485 1.335 19946 516 1 2 . 1 1 11 11 GLN N N 11 118.128 118.128 116.303 1.825 19946 517 1 2 . 1 1 11 11 GLN HA H 11 3.933 3.933 4.160 -0.227 19946 518 1 2 . 1 1 11 11 GLN CA C 11 59.389 59.389 58.028 1.361 19946 519 1 2 . 1 1 11 11 GLN CB C 11 27.948 27.948 28.181 -0.233 19946 520 1 2 . 1 1 11 11 GLN H H 11 8.353 8.353 8.845 -0.492 19946 521 1 2 . 1 1 12 12 GLU N N 12 119.307 119.307 120.817 -1.510 19946 522 1 2 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.235 -0.212 19946 523 1 2 . 1 1 12 12 GLU CA C 12 58.476 58.476 58.739 -0.263 19946 524 1 2 . 1 1 12 12 GLU CB C 12 28.532 28.532 29.997 -1.464 19946 525 1 2 . 1 1 12 12 GLU H H 12 7.197 7.197 7.685 -0.488 19946 526 1 2 . 1 1 13 13 LEU N N 13 120.635 120.635 118.714 1.921 19946 527 1 2 . 1 1 13 13 LEU HA H 13 3.821 3.821 4.118 -0.297 19946 528 1 2 . 1 1 13 13 LEU CA C 13 57.065 57.065 58.154 -1.089 19946 529 1 2 . 1 1 13 13 LEU CB C 13 40.890 40.890 41.508 -0.618 19946 530 1 2 . 1 1 13 13 LEU H H 13 7.554 7.554 7.468 0.086 19946 531 1 2 . 1 1 14 14 ILE N N 14 123.021 123.021 119.645 3.376 19946 532 1 2 . 1 1 14 14 ILE HA H 14 3.827 3.827 3.931 -0.104 19946 533 1 2 . 1 1 14 14 ILE CA C 14 64.053 64.053 65.128 -1.075 19946 534 1 2 . 1 1 14 14 ILE CB C 14 38.115 38.115 37.853 0.262 19946 535 1 2 . 1 1 14 14 ILE H H 14 8.710 8.710 8.147 0.563 19946 536 1 2 . 1 1 15 15 ALA N N 15 124.504 124.504 120.451 4.053 19946 537 1 2 . 1 1 15 15 ALA HA H 15 4.115 4.115 4.164 -0.049 19946 538 1 2 . 1 1 15 15 ALA CA C 15 54.257 54.257 54.065 0.192 19946 539 1 2 . 1 1 15 15 ALA CB C 15 17.040 17.040 18.374 -1.334 19946 540 1 2 . 1 1 15 15 ALA H H 15 7.758 7.758 7.863 -0.105 19946 541 1 2 . 1 1 16 16 ARG N N 16 115.990 115.990 116.518 -0.528 19946 542 1 2 . 1 1 16 16 ARG HA H 16 4.348 4.348 4.347 0.001 19946 543 1 2 . 1 1 16 16 ARG CA C 16 55.416 55.416 56.939 -1.523 19946 544 1 2 . 1 1 16 16 ARG CB C 16 29.762 29.762 30.964 -1.202 19946 545 1 2 . 1 1 16 16 ARG H H 16 7.252 7.252 7.655 -0.403 19946 546 1 2 . 1 1 17 17 GLY N N 17 107.981 107.981 105.319 2.662 19946 547 1 2 . 1 1 17 17 GLY CA C 17 44.854 44.854 44.996 -0.142 19946 548 1 2 . 1 1 17 17 GLY H H 17 7.748 7.748 7.521 0.227 19946 549 1 2 . 1 1 18 18 ALA N N 18 123.914 123.914 126.330 -2.416 19946 550 1 2 . 1 1 18 18 ALA HA H 18 4.221 4.221 4.240 -0.019 19946 551 1 2 . 1 1 18 18 ALA CA C 18 52.270 52.270 53.021 -0.751 19946 552 1 2 . 1 1 18 18 ALA CB C 18 18.638 18.638 19.240 -0.602 19946 553 1 2 . 1 1 18 18 ALA H H 18 7.940 7.940 7.817 0.123 19946 554 1 2 . 1 1 19 19 LYS N N 19 119.436 119.436 123.602 -4.166 19946 555 1 2 . 1 1 19 19 LYS HA H 19 4.301 4.301 4.136 0.165 19946 556 1 2 . 1 1 19 19 LYS CA C 19 53.105 53.105 56.019 -2.914 19946 557 1 2 . 1 1 19 19 LYS CB C 19 32.856 32.856 34.246 -1.390 19946 558 1 2 . 1 1 19 19 LYS H H 19 7.565 7.565 8.407 -0.842 19946 559 1 2 . 1 1 20 20 LEU N N 20 127.401 127.401 122.291 5.110 19946 560 1 2 . 1 1 20 20 LEU HA H 20 5.042 5.042 4.389 0.653 19946 561 1 2 . 1 1 20 20 LEU CA C 20 52.314 52.314 54.107 -1.793 19946 562 1 2 . 1 1 20 20 LEU CB C 20 43.234 43.234 44.038 -0.803 19946 563 1 2 . 1 1 20 20 LEU H H 20 8.727 8.727 8.295 0.432 19946 564 1 2 . 1 1 21 21 ILE N N 21 128.186 128.186 124.995 3.191 19946 565 1 2 . 1 1 21 21 ILE HA H 21 4.547 4.547 4.576 -0.029 19946 566 1 2 . 1 1 21 21 ILE CA C 21 59.589 59.589 58.576 1.013 19946 567 1 2 . 1 1 21 21 ILE CB C 21 38.545 38.545 41.049 -2.504 19946 568 1 2 . 1 1 21 21 ILE H H 21 9.366 9.366 7.815 1.551 19946 569 1 2 . 1 1 22 22 ASP N N 22 129.968 129.968 123.086 6.882 19946 570 1 2 . 1 1 22 22 ASP HA H 22 3.803 3.803 5.021 -1.218 19946 571 1 2 . 1 1 22 22 ASP CA C 22 51.435 51.435 52.580 -1.145 19946 572 1 2 . 1 1 22 22 ASP CB C 22 42.062 42.062 44.885 -2.823 19946 573 1 2 . 1 1 22 22 ASP H H 22 8.583 8.583 7.843 0.740 19946 574 1 2 . 1 1 23 23 ILE N N 23 116.266 116.266 116.908 -0.642 19946 575 1 2 . 1 1 23 23 ILE HA H 23 5.229 5.229 4.369 0.860 19946 576 1 2 . 1 1 23 23 ILE CA C 23 59.374 59.374 60.770 -1.396 19946 577 1 2 . 1 1 23 23 ILE CB C 23 37.327 37.327 37.353 -0.026 19946 578 1 2 . 1 1 23 23 ILE H H 23 7.836 7.836 7.899 -0.063 19946 579 1 2 . 1 1 24 24 ARG N N 24 125.001 125.001 120.126 4.875 19946 580 1 2 . 1 1 24 24 ARG HA H 24 4.116 4.116 4.439 -0.323 19946 581 1 2 . 1 1 24 24 ARG CA C 24 55.943 55.943 55.010 0.933 19946 582 1 2 . 1 1 24 24 ARG CB C 24 30.135 30.135 31.786 -1.651 19946 583 1 2 . 1 1 24 24 ARG H H 24 8.195 8.195 7.478 0.717 19946 584 1 2 . 1 1 25 25 ASP N N 25 112.839 112.839 119.813 -6.974 19946 585 1 2 . 1 1 25 25 ASP HA H 25 4.545 4.545 4.745 -0.200 19946 586 1 2 . 1 1 25 25 ASP CA C 25 53.870 53.870 54.236 -0.366 19946 587 1 2 . 1 1 25 25 ASP CB C 25 41.327 41.327 42.465 -1.138 19946 588 1 2 . 1 1 25 25 ASP H H 25 7.660 7.660 8.341 -0.681 19946 589 1 2 . 1 1 26 26 ALA N N 26 122.145 122.145 121.950 0.195 19946 590 1 2 . 1 1 26 26 ALA HA H 26 3.897 3.897 4.311 -0.414 19946 591 1 2 . 1 1 26 26 ALA CA C 26 54.958 54.958 55.011 -0.053 19946 592 1 2 . 1 1 26 26 ALA CB C 26 17.520 17.520 19.556 -2.036 19946 593 1 2 . 1 1 26 26 ALA H H 26 8.766 8.766 8.435 0.331 19946 594 1 2 . 1 1 27 27 ASP N N 27 115.380 115.380 119.332 -3.952 19946 595 1 2 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.279 0.020 19946 596 1 2 . 1 1 27 27 ASP CA C 27 56.451 56.451 56.876 -0.425 19946 597 1 2 . 1 1 27 27 ASP CB C 27 39.156 39.156 40.324 -1.168 19946 598 1 2 . 1 1 27 27 ASP H H 27 8.686 8.686 8.601 0.085 19946 599 1 2 . 1 1 28 28 GLU N N 28 120.081 120.081 116.524 3.557 19946 600 1 2 . 1 1 28 28 GLU HA H 28 4.086 4.086 4.081 0.005 19946 601 1 2 . 1 1 28 28 GLU CA C 28 58.389 58.389 58.266 0.123 19946 602 1 2 . 1 1 28 28 GLU CB C 28 28.728 28.728 28.697 0.031 19946 603 1 2 . 1 1 28 28 GLU H H 28 7.397 7.397 8.562 -1.165 19946 604 1 2 . 1 1 29 29 TYR N N 29 121.205 121.205 120.838 0.367 19946 605 1 2 . 1 1 29 29 TYR HA H 29 4.083 4.083 4.846 -0.763 19946 606 1 2 . 1 1 29 29 TYR CA C 29 60.378 60.378 57.256 3.122 19946 607 1 2 . 1 1 29 29 TYR CB C 29 38.699 38.699 38.576 0.123 19946 608 1 2 . 1 1 29 29 TYR H H 29 7.506 7.506 8.125 -0.619 19946 609 1 2 . 1 1 30 30 LEU N N 30 118.828 118.828 121.223 -2.395 19946 610 1 2 . 1 1 30 30 LEU HA H 30 3.850 3.850 3.849 0.001 19946 611 1 2 . 1 1 30 30 LEU CA C 30 56.348 56.348 56.857 -0.509 19946 612 1 2 . 1 1 30 30 LEU CB C 30 41.220 41.220 42.263 -1.043 19946 613 1 2 . 1 1 30 30 LEU H H 30 8.211 8.211 7.842 0.369 19946 614 1 2 . 1 1 31 31 ARG N N 31 118.220 118.220 118.282 -0.062 19946 615 1 2 . 1 1 31 31 ARG HA H 31 4.101 4.101 4.267 -0.166 19946 616 1 2 . 1 1 31 31 ARG CA C 31 58.365 58.365 56.444 1.921 19946 617 1 2 . 1 1 31 31 ARG CB C 31 30.074 30.074 31.767 -1.693 19946 618 1 2 . 1 1 31 31 ARG H H 31 7.120 7.120 7.722 -0.602 19946 619 1 2 . 1 1 32 32 GLU N N 32 117.980 117.980 117.708 0.272 19946 620 1 2 . 1 1 32 32 GLU HA H 32 4.884 4.884 4.325 0.559 19946 621 1 2 . 1 1 32 32 GLU CA C 32 55.339 55.339 56.136 -0.797 19946 622 1 2 . 1 1 32 32 GLU CB C 32 31.698 31.698 31.094 0.604 19946 623 1 2 . 1 1 32 32 GLU H H 32 7.506 7.506 8.155 -0.649 19946 624 1 2 . 1 1 33 33 HIS N N 33 118.257 118.257 118.532 -0.275 19946 625 1 2 . 1 1 33 33 HIS HA H 33 4.643 4.643 5.050 -0.407 19946 626 1 2 . 1 1 33 33 HIS CA C 33 53.766 53.766 54.816 -1.050 19946 627 1 2 . 1 1 33 33 HIS CB C 33 29.940 29.940 32.931 -2.991 19946 628 1 2 . 1 1 33 33 HIS H H 33 8.269 8.269 8.671 -0.402 19946 629 1 2 . 1 1 34 34 ILE N N 34 127.809 127.809 119.165 8.644 19946 630 1 2 . 1 1 34 34 ILE HA H 34 3.920 3.920 4.272 -0.352 19946 631 1 2 . 1 1 34 34 ILE CA C 34 59.648 59.648 57.875 1.773 19946 632 1 2 . 1 1 34 34 ILE CB C 34 37.959 37.959 41.825 -3.865 19946 633 1 2 . 1 1 34 34 ILE H H 34 9.989 9.989 7.771 2.218 19946 634 1 2 . 1 1 35 35 PRO HA H 35 4.198 4.198 4.266 -0.068 19946 635 1 2 . 1 1 36 36 GLU N N 36 114.414 114.414 121.258 -6.844 19946 636 1 2 . 1 1 36 36 GLU HA H 36 4.082 4.082 3.755 0.327 19946 637 1 2 . 1 1 36 36 GLU CA C 36 57.861 57.861 57.159 0.702 19946 638 1 2 . 1 1 36 36 GLU CB C 36 28.109 28.109 29.274 -1.165 19946 639 1 2 . 1 1 36 36 GLU H H 36 8.557 8.557 8.048 0.509 19946 640 1 2 . 1 1 37 37 ALA N N 37 122.882 122.882 126.396 -3.514 19946 641 1 2 . 1 1 37 37 ALA HA H 37 4.439 4.439 4.533 -0.094 19946 642 1 2 . 1 1 37 37 ALA CA C 37 52.005 52.005 51.348 0.657 19946 643 1 2 . 1 1 37 37 ALA CB C 37 20.438 20.438 21.413 -0.975 19946 644 1 2 . 1 1 37 37 ALA H H 37 8.096 8.096 8.039 0.057 19946 645 1 2 . 1 1 38 38 ASP N N 38 124.471 124.471 118.500 5.971 19946 646 1 2 . 1 1 38 38 ASP HA H 38 4.844 4.844 4.856 -0.012 19946 647 1 2 . 1 1 38 38 ASP CA C 38 52.614 52.614 53.827 -1.213 19946 648 1 2 . 1 1 38 38 ASP CB C 38 44.407 44.407 44.348 0.059 19946 649 1 2 . 1 1 38 38 ASP H H 38 9.004 9.004 8.140 0.864 19946 650 1 2 . 1 1 39 39 LEU N N 39 123.936 123.936 122.348 1.588 19946 651 1 2 . 1 1 39 39 LEU HA H 39 4.328 4.328 4.581 -0.253 19946 652 1 2 . 1 1 39 39 LEU CA C 39 54.037 54.037 55.600 -1.563 19946 653 1 2 . 1 1 39 39 LEU CB C 39 41.220 41.220 42.219 -0.999 19946 654 1 2 . 1 1 39 39 LEU H H 39 8.125 8.125 8.263 -0.138 19946 655 1 2 . 1 1 40 40 ALA N N 40 131.297 131.297 126.548 4.749 19946 656 1 2 . 1 1 40 40 ALA HA H 40 4.408 4.408 4.488 -0.080 19946 657 1 2 . 1 1 40 40 ALA CA C 40 48.784 48.784 50.893 -2.109 19946 658 1 2 . 1 1 40 40 ALA CB C 40 17.979 17.979 19.515 -1.536 19946 659 1 2 . 1 1 40 40 ALA H H 40 8.654 8.654 8.714 -0.060 19946 660 1 2 . 1 1 41 41 PRO HA H 41 4.101 4.101 4.615 -0.514 19946 661 1 2 . 1 1 41 41 PRO CA C 41 61.391 61.391 62.249 -0.858 19946 662 1 2 . 1 1 41 41 PRO CB C 41 32.097 32.097 33.017 -0.920 19946 663 1 2 . 1 1 42 42 LEU N N 42 125.312 125.312 120.387 4.925 19946 664 1 2 . 1 1 42 42 LEU HA H 42 3.871 3.871 3.882 -0.011 19946 665 1 2 . 1 1 42 42 LEU CA C 42 57.861 57.861 58.814 -0.953 19946 666 1 2 . 1 1 42 42 LEU CB C 42 40.941 40.941 41.133 -0.192 19946 667 1 2 . 1 1 42 42 LEU H H 42 8.285 8.285 8.611 -0.326 19946 668 1 2 . 1 1 43 43 SER N N 43 110.669 110.669 113.856 -3.187 19946 669 1 2 . 1 1 43 43 SER HA H 43 4.106 4.106 4.127 -0.021 19946 670 1 2 . 1 1 43 43 SER CA C 43 60.497 60.497 61.711 -1.214 19946 671 1 2 . 1 1 43 43 SER CB C 43 61.391 61.391 62.572 -1.181 19946 672 1 2 . 1 1 43 43 SER H H 43 8.453 8.453 8.310 0.143 19946 673 1 2 . 1 1 44 44 VAL N N 44 123.933 123.933 121.486 2.447 19946 674 1 2 . 1 1 44 44 VAL HA H 44 3.821 3.821 3.781 0.040 19946 675 1 2 . 1 1 44 44 VAL CA C 44 64.752 64.752 65.952 -1.200 19946 676 1 2 . 1 1 44 44 VAL CB C 44 31.135 31.135 31.436 -0.301 19946 677 1 2 . 1 1 44 44 VAL H H 44 7.156 7.156 7.811 -0.655 19946 678 1 2 . 1 1 45 45 LEU N N 45 121.150 121.150 119.783 1.367 19946 679 1 2 . 1 1 45 45 LEU HA H 45 3.767 3.767 3.975 -0.208 19946 680 1 2 . 1 1 45 45 LEU CA C 45 56.599 56.599 58.211 -1.612 19946 681 1 2 . 1 1 45 45 LEU CB C 45 40.890 40.890 41.355 -0.465 19946 682 1 2 . 1 1 45 45 LEU H H 45 7.997 7.997 9.010 -1.013 19946 683 1 2 . 1 1 46 46 GLU N N 46 116.256 116.256 118.582 -2.326 19946 684 1 2 . 1 1 46 46 GLU HA H 46 3.678 3.678 4.239 -0.561 19946 685 1 2 . 1 1 46 46 GLU CA C 46 58.365 58.365 58.507 -0.142 19946 686 1 2 . 1 1 46 46 GLU CB C 46 29.622 29.622 29.859 -0.237 19946 687 1 2 . 1 1 46 46 GLU H H 46 8.501 8.501 8.128 0.373 19946 688 1 2 . 1 1 47 47 GLN N N 47 117.261 117.261 117.779 -0.518 19946 689 1 2 . 1 1 47 47 GLN HA H 47 4.216 4.216 4.215 0.001 19946 690 1 2 . 1 1 47 47 GLN CA C 47 56.852 56.852 57.860 -1.008 19946 691 1 2 . 1 1 47 47 GLN CB C 47 29.119 29.119 29.419 -0.300 19946 692 1 2 . 1 1 47 47 GLN H H 47 7.407 7.407 8.177 -0.770 19946 693 1 2 . 1 1 48 48 SER N N 48 111.890 111.890 113.157 -1.267 19946 694 1 2 . 1 1 48 48 SER HA H 48 4.641 4.641 4.490 0.151 19946 695 1 2 . 1 1 48 48 SER CA C 48 57.956 57.956 58.532 -0.576 19946 696 1 2 . 1 1 48 48 SER CB C 48 63.912 63.912 64.745 -0.833 19946 697 1 2 . 1 1 48 48 SER H H 48 8.566 8.566 8.410 0.156 19946 698 1 2 . 1 1 49 49 GLY N N 49 111.545 111.545 109.173 2.372 19946 699 1 2 . 1 1 49 49 GLY CA C 49 43.894 43.894 44.472 -0.578 19946 700 1 2 . 1 1 49 49 GLY H H 49 7.836 7.836 7.400 0.436 19946 701 1 2 . 1 1 50 50 LEU N N 50 121.541 121.541 124.312 -2.771 19946 702 1 2 . 1 1 50 50 LEU HA H 50 4.239 4.239 4.338 -0.099 19946 703 1 2 . 1 1 50 50 LEU CA C 50 51.985 51.985 54.392 -2.408 19946 704 1 2 . 1 1 50 50 LEU CB C 50 42.648 42.648 41.101 1.547 19946 705 1 2 . 1 1 50 50 LEU H H 50 8.564 8.564 8.259 0.305 19946 706 1 2 . 1 1 51 51 PRO HA H 51 4.243 4.243 4.634 -0.391 19946 707 1 2 . 1 1 51 51 PRO CB C 51 31.639 31.639 32.603 -0.964 19946 708 1 2 . 1 1 52 52 ALA N N 52 127.008 127.008 126.086 0.922 19946 709 1 2 . 1 1 52 52 ALA HA H 52 3.790 3.790 4.129 -0.339 19946 710 1 2 . 1 1 52 52 ALA CA C 52 54.835 54.835 54.784 0.051 19946 711 1 2 . 1 1 52 52 ALA CB C 52 17.715 17.715 18.538 -0.824 19946 712 1 2 . 1 1 52 52 ALA H H 52 8.564 8.564 8.524 0.040 19946 713 1 2 . 1 1 53 53 LYS N N 53 114.535 114.535 116.824 -2.289 19946 714 1 2 . 1 1 53 53 LYS HA H 53 4.106 4.106 4.150 -0.044 19946 715 1 2 . 1 1 53 53 LYS CA C 53 56.852 56.852 58.266 -1.414 19946 716 1 2 . 1 1 53 53 LYS CB C 53 31.386 31.386 31.838 -0.452 19946 717 1 2 . 1 1 53 53 LYS H H 53 8.364 8.364 8.706 -0.342 19946 718 1 2 . 1 1 54 54 LEU N N 54 118.515 118.515 117.995 0.520 19946 719 1 2 . 1 1 54 54 LEU HA H 54 4.247 4.247 4.517 -0.270 19946 720 1 2 . 1 1 54 54 LEU CA C 54 53.338 53.338 53.593 -0.255 19946 721 1 2 . 1 1 54 54 LEU CB C 54 40.890 40.890 42.440 -1.550 19946 722 1 2 . 1 1 54 54 LEU H H 54 7.745 7.745 7.240 0.505 19946 723 1 2 . 1 1 55 55 ARG N N 55 117.612 117.612 121.319 -3.707 19946 724 1 2 . 1 1 55 55 ARG HA H 55 3.927 3.927 4.620 -0.693 19946 725 1 2 . 1 1 55 55 ARG CA C 55 56.832 56.832 55.566 1.266 19946 726 1 2 . 1 1 55 55 ARG CB C 55 28.610 28.610 32.171 -3.561 19946 727 1 2 . 1 1 55 55 ARG H H 55 6.938 6.938 8.037 -1.099 19946 728 1 2 . 1 1 56 56 HIS N N 56 123.269 123.269 123.074 0.195 19946 729 1 2 . 1 1 56 56 HIS HA H 56 4.614 4.614 4.759 -0.145 19946 730 1 2 . 1 1 56 56 HIS CA C 56 54.835 54.835 55.594 -0.759 19946 731 1 2 . 1 1 56 56 HIS CB C 56 32.648 32.648 32.205 0.443 19946 732 1 2 . 1 1 56 56 HIS H H 56 7.237 7.237 8.582 -1.345 19946 733 1 2 . 1 1 57 57 GLU N N 57 120.895 120.895 118.133 2.762 19946 734 1 2 . 1 1 57 57 GLU HA H 57 3.976 3.976 4.416 -0.440 19946 735 1 2 . 1 1 57 57 GLU CA C 57 58.871 58.871 57.694 1.177 19946 736 1 2 . 1 1 57 57 GLU CB C 57 29.158 29.158 30.776 -1.618 19946 737 1 2 . 1 1 57 57 GLU H H 57 7.625 7.625 8.749 -1.124 19946 738 1 2 . 1 1 58 58 GLN N N 58 118.485 118.485 115.369 3.116 19946 739 1 2 . 1 1 58 58 GLN HA H 58 5.425 5.425 4.940 0.485 19946 740 1 2 . 1 1 58 58 GLN CA C 58 54.910 54.910 54.644 0.266 19946 741 1 2 . 1 1 58 58 GLN CB C 58 32.285 32.285 30.640 1.645 19946 742 1 2 . 1 1 58 58 GLN H H 58 8.335 8.335 8.159 0.176 19946 743 1 2 . 1 1 59 59 ILE N N 59 123.505 123.505 119.417 4.088 19946 744 1 2 . 1 1 59 59 ILE HA H 59 4.492 4.492 4.817 -0.325 19946 745 1 2 . 1 1 59 59 ILE CA C 59 58.869 58.869 59.715 -0.846 19946 746 1 2 . 1 1 59 59 ILE CB C 59 42.332 42.332 41.401 0.931 19946 747 1 2 . 1 1 59 59 ILE H H 59 8.704 8.704 8.700 0.004 19946 748 1 2 . 1 1 60 60 ILE N N 60 126.464 126.464 120.176 6.288 19946 749 1 2 . 1 1 60 60 ILE HA H 60 4.954 4.954 3.688 1.266 19946 750 1 2 . 1 1 60 60 ILE CA C 60 57.357 57.357 58.012 -0.655 19946 751 1 2 . 1 1 60 60 ILE CB C 60 39.131 39.131 41.399 -2.268 19946 752 1 2 . 1 1 60 60 ILE H H 60 9.006 9.006 7.840 1.166 19946 753 1 2 . 1 1 61 61 PHE N N 61 124.441 124.441 122.789 1.652 19946 754 1 2 . 1 1 61 61 PHE HA H 61 5.795 5.795 5.319 0.476 19946 755 1 2 . 1 1 61 61 PHE CA C 61 56.131 56.131 55.958 0.173 19946 756 1 2 . 1 1 61 61 PHE CB C 61 42.879 42.879 43.654 -0.775 19946 757 1 2 . 1 1 61 61 PHE H H 61 8.938 8.938 8.870 0.068 19946 758 1 2 . 1 1 62 62 HIS N N 62 117.494 117.494 119.475 -1.981 19946 759 1 2 . 1 1 62 62 HIS HA H 62 5.928 5.928 4.977 0.951 19946 760 1 2 . 1 1 62 62 HIS CA C 62 53.322 53.322 55.582 -2.260 19946 761 1 2 . 1 1 62 62 HIS CB C 62 35.673 35.673 33.353 2.320 19946 762 1 2 . 1 1 62 62 HIS H H 62 9.230 9.230 8.130 1.100 19946 763 1 2 . 1 1 63 63 CYS N N 63 120.220 120.220 124.217 -3.997 19946 764 1 2 . 1 1 63 63 CYS HA H 63 5.033 5.033 4.022 1.011 19946 765 1 2 . 1 1 63 63 CYS CA C 63 56.131 56.131 62.935 -6.804 19946 766 1 2 . 1 1 63 63 CYS CB C 63 28.109 28.109 28.674 -0.565 19946 767 1 2 . 1 1 63 63 CYS H H 63 8.131 8.131 9.229 -1.098 19946 768 1 2 . 1 1 65 65 ALA N N 65 119.272 119.272 122.841 -3.569 19946 769 1 2 . 1 1 65 65 ALA HA H 65 5.063 5.063 4.686 0.377 19946 770 1 2 . 1 1 65 65 ALA CA C 65 49.793 49.793 51.865 -2.072 19946 771 1 2 . 1 1 65 65 ALA CB C 65 19.775 19.775 19.506 0.269 19946 772 1 2 . 1 1 65 65 ALA H H 65 8.967 8.967 8.291 0.676 19946 773 1 2 . 1 1 66 66 GLY N N 66 113.296 113.296 107.947 5.349 19946 774 1 2 . 1 1 66 66 GLY CA C 66 44.934 44.934 45.121 -0.187 19946 775 1 2 . 1 1 66 66 GLY H H 66 8.778 8.778 8.235 0.543 19946 776 1 2 . 1 1 67 67 LYS N N 67 121.300 121.300 118.652 2.648 19946 777 1 2 . 1 1 67 67 LYS HA H 67 4.211 4.211 3.807 0.404 19946 778 1 2 . 1 1 67 67 LYS H H 67 8.111 8.111 8.413 -0.302 19946 779 1 2 . 1 1 68 68 ARG N N 68 126.092 126.092 115.175 10.917 19946 780 1 2 . 1 1 68 68 ARG H H 68 9.067 9.067 8.740 0.327 19946 781 1 2 . 1 1 69 69 THR N N 69 117.153 117.153 109.651 7.502 19946 782 1 2 . 1 1 69 69 THR HA H 69 3.576 3.576 4.524 -0.948 19946 783 1 2 . 1 1 69 69 THR CA C 69 65.397 65.397 64.076 1.321 19946 784 1 2 . 1 1 69 69 THR CB C 69 66.938 66.938 69.101 -2.163 19946 785 1 2 . 1 1 69 69 THR H H 69 10.233 10.233 7.823 2.410 19946 786 1 2 . 1 1 70 70 SER N N 70 113.686 113.686 115.989 -2.303 19946 787 1 2 . 1 1 70 70 SER HA H 70 4.091 4.091 4.154 -0.063 19946 788 1 2 . 1 1 70 70 SER CA C 70 61.391 61.391 61.245 0.145 19946 789 1 2 . 1 1 70 70 SER CB C 70 65.425 65.425 62.851 2.574 19946 790 1 2 . 1 1 70 70 SER H H 70 7.322 7.322 8.372 -1.050 19946 791 1 2 . 1 1 71 71 ASN N N 71 118.257 118.257 118.542 -0.285 19946 792 1 2 . 1 1 71 71 ASN HA H 71 4.177 4.177 4.495 -0.318 19946 793 1 2 . 1 1 71 71 ASN CA C 71 54.736 54.736 55.546 -0.810 19946 794 1 2 . 1 1 71 71 ASN CB C 71 38.391 38.391 38.639 -0.248 19946 795 1 2 . 1 1 71 71 ASN H H 71 7.863 7.863 8.525 -0.662 19946 796 1 2 . 1 1 72 72 ASN N N 72 115.529 115.529 114.479 1.050 19946 797 1 2 . 1 1 72 72 ASN HA H 72 5.127 5.127 4.905 0.222 19946 798 1 2 . 1 1 72 72 ASN CA C 72 52.173 52.173 52.393 -0.220 19946 799 1 2 . 1 1 72 72 ASN CB C 72 39.165 39.165 38.124 1.041 19946 800 1 2 . 1 1 72 72 ASN H H 72 7.238 7.238 8.297 -1.059 19946 801 1 2 . 1 1 73 73 ALA N N 73 125.388 125.388 122.606 2.782 19946 802 1 2 . 1 1 73 73 ALA HA H 73 3.639 3.639 4.125 -0.486 19946 803 1 2 . 1 1 73 73 ALA CA C 73 56.133 56.133 54.337 1.796 19946 804 1 2 . 1 1 73 73 ALA CB C 73 18.528 18.528 19.017 -0.489 19946 805 1 2 . 1 1 73 73 ALA H H 73 7.081 7.081 7.460 -0.379 19946 806 1 2 . 1 1 74 74 ASP N N 74 115.501 115.501 118.634 -3.133 19946 807 1 2 . 1 1 74 74 ASP HA H 74 4.135 4.135 4.371 -0.236 19946 808 1 2 . 1 1 74 74 ASP CA C 74 55.891 55.891 57.306 -1.415 19946 809 1 2 . 1 1 74 74 ASP CB C 74 38.699 38.699 40.683 -1.984 19946 810 1 2 . 1 1 74 74 ASP H H 74 8.346 8.346 8.375 -0.029 19946 811 1 2 . 1 1 75 75 LYS N N 75 122.469 122.469 119.698 2.771 19946 812 1 2 . 1 1 75 75 LYS HA H 75 4.024 4.024 4.040 -0.016 19946 813 1 2 . 1 1 75 75 LYS CA C 75 57.861 57.861 58.993 -1.132 19946 814 1 2 . 1 1 75 75 LYS CB C 75 31.660 31.660 32.125 -0.465 19946 815 1 2 . 1 1 75 75 LYS H H 75 7.583 7.583 8.242 -0.659 19946 816 1 2 . 1 1 76 76 LEU N N 76 119.196 119.196 118.882 0.314 19946 817 1 2 . 1 1 76 76 LEU HA H 76 3.570 3.570 4.014 -0.444 19946 818 1 2 . 1 1 76 76 LEU CA C 76 56.852 56.852 57.285 -0.432 19946 819 1 2 . 1 1 76 76 LEU CB C 76 39.245 39.245 41.653 -2.408 19946 820 1 2 . 1 1 76 76 LEU H H 76 8.069 8.069 7.525 0.544 19946 821 1 2 . 1 1 77 77 ALA N N 77 120.302 120.302 120.724 -0.422 19946 822 1 2 . 1 1 77 77 ALA HA H 77 3.985 3.985 3.826 0.159 19946 823 1 2 . 1 1 77 77 ALA CA C 77 53.794 53.794 53.718 0.076 19946 824 1 2 . 1 1 77 77 ALA CB C 77 17.353 17.353 18.160 -0.807 19946 825 1 2 . 1 1 77 77 ALA H H 77 8.063 8.063 7.592 0.471 19946 826 1 2 . 1 1 78 78 ALA N N 78 119.602 119.602 117.910 1.692 19946 827 1 2 . 1 1 78 78 ALA HA H 78 4.138 4.138 4.315 -0.177 19946 828 1 2 . 1 1 78 78 ALA CA C 78 54.049 54.049 52.678 1.371 19946 829 1 2 . 1 1 78 78 ALA CB C 78 17.520 17.520 19.487 -1.967 19946 830 1 2 . 1 1 78 78 ALA H H 78 7.274 7.274 7.726 -0.452 19946 831 1 2 . 1 1 79 79 ILE N N 79 118.809 118.809 119.365 -0.556 19946 832 1 2 . 1 1 79 79 ILE HA H 79 3.798 3.798 3.861 -0.063 19946 833 1 2 . 1 1 79 79 ILE CA C 79 63.354 63.354 63.062 0.291 19946 834 1 2 . 1 1 79 79 ILE CB C 79 38.422 38.422 38.614 -0.192 19946 835 1 2 . 1 1 79 79 ILE H H 79 8.170 8.170 7.665 0.505 19946 836 1 2 . 1 1 80 80 ALA N N 80 118.736 118.736 119.155 -0.419 19946 837 1 2 . 1 1 80 80 ALA HA H 80 4.412 4.412 4.652 -0.240 19946 838 1 2 . 1 1 80 80 ALA CA C 80 50.801 50.801 50.580 0.221 19946 839 1 2 . 1 1 80 80 ALA CB C 80 19.537 19.537 18.616 0.921 19946 840 1 2 . 1 1 80 80 ALA H H 80 7.857 7.857 7.330 0.527 19946 841 1 2 . 1 1 81 81 ALA N N 81 124.485 124.485 122.850 1.635 19946 842 1 2 . 1 1 81 81 ALA HA H 81 4.353 4.353 5.084 -0.731 19946 843 1 2 . 1 1 81 81 ALA CA C 81 51.305 51.305 49.623 1.682 19946 844 1 2 . 1 1 81 81 ALA CB C 81 16.511 16.511 18.724 -2.213 19946 845 1 2 . 1 1 81 81 ALA H H 81 7.191 7.191 7.461 -0.270 19946 846 1 2 . 1 1 82 82 PRO CA C 82 62.903 62.903 62.949 -0.046 19946 847 1 2 . 1 1 83 83 ALA N N 83 128.367 128.367 122.453 5.914 19946 848 1 2 . 1 1 83 83 ALA HA H 83 4.058 4.058 4.083 -0.025 19946 849 1 2 . 1 1 83 83 ALA CA C 83 52.314 52.314 52.955 -0.641 19946 850 1 2 . 1 1 83 83 ALA CB C 83 19.001 19.001 19.475 -0.474 19946 851 1 2 . 1 1 83 83 ALA H H 83 8.472 8.472 7.662 0.810 19946 852 1 2 . 1 1 84 84 GLU N N 84 122.108 122.108 122.197 -0.089 19946 853 1 2 . 1 1 84 84 GLU HA H 84 4.164 4.164 4.415 -0.251 19946 854 1 2 . 1 1 84 84 GLU CA C 84 55.937 55.937 56.882 -0.945 19946 855 1 2 . 1 1 84 84 GLU CB C 84 30.213 30.213 30.216 -0.003 19946 856 1 2 . 1 1 84 84 GLU H H 84 8.106 8.106 8.105 0.001 19946 857 1 2 . 1 1 85 85 ILE N N 85 122.808 122.808 122.075 0.733 19946 858 1 2 . 1 1 85 85 ILE HA H 85 5.211 5.211 5.074 0.137 19946 859 1 2 . 1 1 85 85 ILE CA C 85 58.365 58.365 58.075 0.290 19946 860 1 2 . 1 1 85 85 ILE CB C 85 39.707 39.707 39.921 -0.214 19946 861 1 2 . 1 1 85 85 ILE H H 85 7.850 7.850 8.309 -0.459 19946 862 1 2 . 1 1 86 86 PHE N N 86 122.937 122.937 116.999 5.938 19946 863 1 2 . 1 1 86 86 PHE HA H 86 5.388 5.388 4.932 0.456 19946 864 1 2 . 1 1 86 86 PHE CA C 86 54.509 54.509 56.995 -2.486 19946 865 1 2 . 1 1 86 86 PHE CB C 86 42.878 42.878 41.447 1.431 19946 866 1 2 . 1 1 86 86 PHE H H 86 9.004 9.004 7.637 1.367 19946 867 1 2 . 1 1 87 87 LEU N N 87 120.712 120.712 115.107 5.605 19946 868 1 2 . 1 1 87 87 LEU HA H 87 5.295 5.295 5.240 0.055 19946 869 1 2 . 1 1 87 87 LEU CA C 87 51.810 51.810 52.440 -0.630 19946 870 1 2 . 1 1 87 87 LEU CB C 87 42.059 42.059 44.699 -2.640 19946 871 1 2 . 1 1 87 87 LEU H H 87 8.785 8.785 8.358 0.427 19946 872 1 2 . 1 1 88 88 LEU N N 88 124.779 124.779 120.842 3.937 19946 873 1 2 . 1 1 88 88 LEU HA H 88 4.434 4.434 4.911 -0.477 19946 874 1 2 . 1 1 88 88 LEU CA C 88 54.331 54.331 53.752 0.579 19946 875 1 2 . 1 1 88 88 LEU CB C 88 42.648 42.648 42.566 0.082 19946 876 1 2 . 1 1 88 88 LEU H H 88 8.243 8.243 7.938 0.305 19946 877 1 2 . 1 1 89 89 GLU N N 89 112.478 112.478 126.401 -13.923 19946 878 1 2 . 1 1 89 89 GLU HA H 89 3.881 3.881 3.802 0.079 19946 879 1 2 . 1 1 89 89 GLU H H 89 9.343 9.343 8.162 1.181 19946 880 1 2 . 1 1 90 90 ASP N N 90 120.709 120.709 118.406 2.303 19946 881 1 2 . 1 1 90 90 ASP HA H 90 4.168 4.168 4.415 -0.247 19946 882 1 2 . 1 1 90 90 ASP H H 90 9.062 9.062 8.584 0.478 19946 883 1 2 . 1 1 91 91 GLY N N 91 105.049 105.049 107.632 -2.583 19946 884 1 2 . 1 1 91 91 GLY CA C 91 46.263 46.263 46.270 -0.007 19946 885 1 2 . 1 1 91 91 GLY H H 91 7.848 7.848 8.465 -0.617 19946 886 1 2 . 1 1 92 92 ILE N N 92 122.127 122.127 124.958 -2.831 19946 887 1 2 . 1 1 92 92 ILE HA H 92 3.811 3.811 3.720 0.091 19946 888 1 2 . 1 1 92 92 ILE CA C 92 62.656 62.656 64.832 -2.176 19946 889 1 2 . 1 1 92 92 ILE CB C 92 37.243 37.243 37.254 -0.011 19946 890 1 2 . 1 1 92 92 ILE H H 92 8.077 8.077 8.236 -0.159 19946 891 1 2 . 1 1 93 93 ASP N N 93 127.038 127.038 119.843 7.195 19946 892 1 2 . 1 1 93 93 ASP HA H 93 4.452 4.452 4.451 0.001 19946 893 1 2 . 1 1 93 93 ASP CA C 93 57.357 57.357 58.243 -0.886 19946 894 1 2 . 1 1 93 93 ASP CB C 93 38.194 38.194 40.348 -2.154 19946 895 1 2 . 1 1 93 93 ASP H H 93 9.094 9.094 7.918 1.176 19946 896 1 2 . 1 1 94 94 GLY N N 94 111.411 111.411 108.188 3.223 19946 897 1 2 . 1 1 94 94 GLY CA C 94 44.750 44.750 46.002 -1.252 19946 898 1 2 . 1 1 94 94 GLY H H 94 8.047 8.047 7.387 0.660 19946 899 1 2 . 1 1 95 95 TRP N N 95 127.574 127.574 124.418 3.156 19946 900 1 2 . 1 1 95 95 TRP HA H 95 3.738 3.738 4.181 -0.443 19946 901 1 2 . 1 1 95 95 TRP CA C 95 60.852 60.852 59.679 1.173 19946 902 1 2 . 1 1 95 95 TRP CB C 95 28.613 28.613 29.543 -0.930 19946 903 1 2 . 1 1 95 95 TRP H H 95 7.918 7.918 8.946 -1.028 19946 904 1 2 . 1 1 96 96 LYS N N 96 117.374 117.374 118.694 -1.320 19946 905 1 2 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.035 0.044 19946 906 1 2 . 1 1 96 96 LYS CA C 96 59.091 59.091 58.720 0.371 19946 907 1 2 . 1 1 96 96 LYS H H 96 8.625 8.625 8.557 0.068 19946 908 1 2 . 1 1 97 97 LYS N N 97 123.490 123.490 119.795 3.695 19946 909 1 2 . 1 1 97 97 LYS HA H 97 4.021 4.021 4.089 -0.068 19946 910 1 2 . 1 1 97 97 LYS CB C 97 31.542 31.542 32.520 -0.978 19946 911 1 2 . 1 1 97 97 LYS H H 97 8.233 8.233 7.705 0.528 19946 912 1 2 . 1 1 98 98 ALA N N 98 120.321 120.321 119.649 0.672 19946 913 1 2 . 1 1 98 98 ALA HA H 98 4.248 4.248 4.468 -0.220 19946 914 1 2 . 1 1 98 98 ALA CA C 98 51.305 51.305 51.205 0.100 19946 915 1 2 . 1 1 98 98 ALA CB C 98 17.744 17.744 19.073 -1.329 19946 916 1 2 . 1 1 98 98 ALA H H 98 7.480 7.480 7.161 0.319 19946 917 1 2 . 1 1 99 99 GLY N N 99 106.984 106.984 108.417 -1.433 19946 918 1 2 . 1 1 99 99 GLY CA C 99 44.246 44.246 45.899 -1.653 19946 919 1 2 . 1 1 99 99 GLY H H 99 7.867 7.867 8.521 -0.654 19946 920 1 2 . 1 1 100 100 LEU N N 100 122.993 122.993 120.775 2.218 19946 921 1 2 . 1 1 100 100 LEU HA H 100 4.277 4.277 4.345 -0.068 19946 922 1 2 . 1 1 100 100 LEU CA C 100 52.314 52.314 50.971 1.343 19946 923 1 2 . 1 1 100 100 LEU CB C 100 36.786 36.786 42.394 -5.608 19946 924 1 2 . 1 1 100 100 LEU H H 100 6.958 6.958 7.225 -0.267 19946 925 1 2 . 1 1 101 101 PRO HA H 101 4.492 4.492 4.621 -0.129 19946 926 1 2 . 1 1 101 101 PRO CB C 101 32.097 32.097 32.283 -0.186 19946 927 1 2 . 1 1 102 102 VAL N N 102 111.514 111.514 116.026 -4.512 19946 928 1 2 . 1 1 102 102 VAL HA H 102 4.367 4.367 4.403 -0.036 19946 929 1 2 . 1 1 102 102 VAL CA C 102 58.869 58.869 60.056 -1.188 19946 930 1 2 . 1 1 102 102 VAL CB C 102 35.351 35.351 32.788 2.563 19946 931 1 2 . 1 1 102 102 VAL H H 102 7.988 7.988 8.225 -0.237 19946 932 1 2 . 1 1 103 103 ALA N N 103 126.676 126.676 122.482 4.194 19946 933 1 2 . 1 1 103 103 ALA HA H 103 4.524 4.524 4.541 -0.017 19946 934 1 2 . 1 1 103 103 ALA CA C 103 49.793 49.793 51.588 -1.795 19946 935 1 2 . 1 1 103 103 ALA CB C 103 18.600 18.600 18.030 0.570 19946 936 1 2 . 1 1 103 103 ALA H H 103 8.919 8.919 8.437 0.482 19946 937 1 2 . 1 1 104 104 VAL N N 104 121.148 121.148 121.987 -0.839 19946 938 1 2 . 1 1 104 104 VAL HA H 104 4.475 4.475 4.303 0.172 19946 939 1 2 . 1 1 104 104 VAL CA C 104 59.374 59.374 61.192 -1.818 19946 940 1 2 . 1 1 104 104 VAL CB C 104 33.884 33.884 33.029 0.855 19946 941 1 2 . 1 1 104 104 VAL H H 104 8.241 8.241 7.732 0.509 19946 942 1 2 . 1 1 105 105 ASN N N 105 123.816 123.816 119.985 3.831 19946 943 1 2 . 1 1 105 105 ASN HA H 105 4.674 4.674 4.896 -0.222 19946 944 1 2 . 1 1 105 105 ASN CA C 105 53.200 53.200 53.352 -0.152 19946 945 1 2 . 1 1 105 105 ASN CB C 105 37.959 37.959 38.569 -0.610 19946 946 1 2 . 1 1 105 105 ASN H H 105 8.150 8.150 8.644 -0.494 19946 947 1 2 . 1 1 106 106 LYS N N 106 123.804 123.804 121.714 2.090 19946 948 1 2 . 1 1 106 106 LYS H H 106 8.340 8.340 8.096 0.244 19946 949 1 3 . 1 1 2 2 LEU N N 2 120.763 120.763 124.137 -3.374 19946 950 1 3 . 1 1 2 2 LEU HA H 2 4.384 4.384 4.430 -0.046 19946 951 1 3 . 1 1 2 2 LEU CA C 2 53.827 53.827 55.292 -1.465 19946 952 1 3 . 1 1 2 2 LEU CB C 2 42.229 42.229 42.379 -0.150 19946 953 1 3 . 1 1 2 2 LEU H H 2 7.888 7.888 8.494 -0.606 19946 954 1 3 . 1 1 3 3 THR N N 3 118.330 118.330 121.361 -3.031 19946 955 1 3 . 1 1 3 3 THR HA H 3 4.469 4.469 4.603 -0.134 19946 956 1 3 . 1 1 3 3 THR CA C 3 61.391 61.391 60.635 0.756 19946 957 1 3 . 1 1 3 3 THR CB C 3 69.496 69.496 70.062 -0.566 19946 958 1 3 . 1 1 3 3 THR H H 3 7.905 7.905 8.524 -0.619 19946 959 1 3 . 1 1 4 4 THR N N 4 122.024 122.024 116.182 5.842 19946 960 1 3 . 1 1 4 4 THR HA H 4 5.171 5.171 5.085 0.086 19946 961 1 3 . 1 1 4 4 THR CA C 4 61.595 61.595 60.219 1.376 19946 962 1 3 . 1 1 4 4 THR CB C 4 69.027 69.027 69.889 -0.862 19946 963 1 3 . 1 1 4 4 THR H H 4 8.504 8.504 8.226 0.278 19946 964 1 3 . 1 1 5 5 ILE N N 5 122.667 122.667 124.061 -1.394 19946 965 1 3 . 1 1 5 5 ILE HA H 5 4.973 4.973 4.627 0.346 19946 966 1 3 . 1 1 5 5 ILE CA C 5 57.971 57.971 59.288 -1.317 19946 967 1 3 . 1 1 5 5 ILE CB C 5 41.458 41.458 40.676 0.782 19946 968 1 3 . 1 1 5 5 ILE H H 5 8.903 8.903 8.150 0.753 19946 969 1 3 . 1 1 6 6 SER N N 6 123.156 123.156 112.598 10.558 19946 970 1 3 . 1 1 6 6 SER HA H 6 4.785 4.785 4.540 0.245 19946 971 1 3 . 1 1 6 6 SER H H 6 9.138 9.138 8.717 0.421 19946 972 1 3 . 1 1 7 7 PRO HA H 7 4.004 4.004 4.746 -0.742 19946 973 1 3 . 1 1 7 7 PRO CA C 7 65.510 65.510 62.601 2.909 19946 974 1 3 . 1 1 7 7 PRO CB C 7 30.924 30.924 32.249 -1.325 19946 975 1 3 . 1 1 8 8 HIS N N 8 114.319 114.319 117.505 -3.186 19946 976 1 3 . 1 1 8 8 HIS HA H 8 3.989 3.989 4.184 -0.195 19946 977 1 3 . 1 1 8 8 HIS CA C 8 60.050 60.050 60.470 -0.420 19946 978 1 3 . 1 1 8 8 HIS CB C 8 28.613 28.613 29.599 -0.986 19946 979 1 3 . 1 1 8 8 HIS H H 8 8.127 8.127 8.704 -0.577 19946 980 1 3 . 1 1 9 9 ASP N N 9 121.300 121.300 117.802 3.498 19946 981 1 3 . 1 1 9 9 ASP HA H 9 4.301 4.301 4.438 -0.137 19946 982 1 3 . 1 1 9 9 ASP CA C 9 56.455 56.455 56.813 -0.358 19946 983 1 3 . 1 1 9 9 ASP CB C 9 38.699 38.699 40.718 -2.019 19946 984 1 3 . 1 1 9 9 ASP H H 9 7.639 7.639 8.411 -0.772 19946 985 1 3 . 1 1 10 10 ALA N N 10 123.991 123.991 120.351 3.640 19946 986 1 3 . 1 1 10 10 ALA HA H 10 3.719 3.719 4.200 -0.481 19946 987 1 3 . 1 1 10 10 ALA CA C 10 54.331 54.331 54.880 -0.549 19946 988 1 3 . 1 1 10 10 ALA CB C 10 17.549 17.549 18.692 -1.143 19946 989 1 3 . 1 1 10 10 ALA H H 10 8.820 8.820 8.435 0.385 19946 990 1 3 . 1 1 11 11 GLN N N 11 118.128 118.128 116.482 1.646 19946 991 1 3 . 1 1 11 11 GLN HA H 11 3.933 3.933 4.192 -0.259 19946 992 1 3 . 1 1 11 11 GLN CA C 11 59.389 59.389 57.603 1.786 19946 993 1 3 . 1 1 11 11 GLN CB C 11 27.948 27.948 28.404 -0.456 19946 994 1 3 . 1 1 11 11 GLN H H 11 8.353 8.353 7.657 0.696 19946 995 1 3 . 1 1 12 12 GLU N N 12 119.307 119.307 120.898 -1.591 19946 996 1 3 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.265 -0.242 19946 997 1 3 . 1 1 12 12 GLU CA C 12 58.476 58.476 58.761 -0.285 19946 998 1 3 . 1 1 12 12 GLU CB C 12 28.532 28.532 30.028 -1.496 19946 999 1 3 . 1 1 12 12 GLU H H 12 7.197 7.197 7.672 -0.475 19946 1000 1 3 . 1 1 13 13 LEU N N 13 120.635 120.635 118.447 2.188 19946 1001 1 3 . 1 1 13 13 LEU HA H 13 3.821 3.821 4.139 -0.318 19946 1002 1 3 . 1 1 13 13 LEU CA C 13 57.065 57.065 58.239 -1.174 19946 1003 1 3 . 1 1 13 13 LEU CB C 13 40.890 40.890 41.336 -0.446 19946 1004 1 3 . 1 1 13 13 LEU H H 13 7.554 7.554 7.544 0.010 19946 1005 1 3 . 1 1 14 14 ILE N N 14 123.021 123.021 119.701 3.320 19946 1006 1 3 . 1 1 14 14 ILE HA H 14 3.827 3.827 3.872 -0.045 19946 1007 1 3 . 1 1 14 14 ILE CA C 14 64.053 64.053 64.787 -0.734 19946 1008 1 3 . 1 1 14 14 ILE CB C 14 38.115 38.115 37.511 0.604 19946 1009 1 3 . 1 1 14 14 ILE H H 14 8.710 8.710 7.668 1.042 19946 1010 1 3 . 1 1 15 15 ALA N N 15 124.504 124.504 120.478 4.026 19946 1011 1 3 . 1 1 15 15 ALA HA H 15 4.115 4.115 4.153 -0.038 19946 1012 1 3 . 1 1 15 15 ALA CA C 15 54.257 54.257 53.997 0.260 19946 1013 1 3 . 1 1 15 15 ALA CB C 15 17.040 17.040 18.496 -1.456 19946 1014 1 3 . 1 1 15 15 ALA H H 15 7.758 7.758 7.704 0.054 19946 1015 1 3 . 1 1 16 16 ARG N N 16 115.990 115.990 116.850 -0.860 19946 1016 1 3 . 1 1 16 16 ARG HA H 16 4.348 4.348 4.382 -0.034 19946 1017 1 3 . 1 1 16 16 ARG CA C 16 55.416 55.416 56.702 -1.286 19946 1018 1 3 . 1 1 16 16 ARG CB C 16 29.762 29.762 31.197 -1.435 19946 1019 1 3 . 1 1 16 16 ARG H H 16 7.252 7.252 7.999 -0.747 19946 1020 1 3 . 1 1 17 17 GLY N N 17 107.981 107.981 105.517 2.464 19946 1021 1 3 . 1 1 17 17 GLY CA C 17 44.854 44.854 44.351 0.503 19946 1022 1 3 . 1 1 17 17 GLY H H 17 7.748 7.748 7.547 0.201 19946 1023 1 3 . 1 1 18 18 ALA N N 18 123.914 123.914 123.644 0.270 19946 1024 1 3 . 1 1 18 18 ALA HA H 18 4.221 4.221 4.302 -0.081 19946 1025 1 3 . 1 1 18 18 ALA CA C 18 52.270 52.270 52.508 -0.238 19946 1026 1 3 . 1 1 18 18 ALA CB C 18 18.638 18.638 19.874 -1.236 19946 1027 1 3 . 1 1 18 18 ALA H H 18 7.940 7.940 8.183 -0.243 19946 1028 1 3 . 1 1 19 19 LYS N N 19 119.436 119.436 120.383 -0.947 19946 1029 1 3 . 1 1 19 19 LYS HA H 19 4.301 4.301 4.567 -0.266 19946 1030 1 3 . 1 1 19 19 LYS CA C 19 53.105 53.105 55.030 -1.925 19946 1031 1 3 . 1 1 19 19 LYS CB C 19 32.856 32.856 36.396 -3.540 19946 1032 1 3 . 1 1 19 19 LYS H H 19 7.565 7.565 7.704 -0.139 19946 1033 1 3 . 1 1 20 20 LEU N N 20 127.401 127.401 122.458 4.943 19946 1034 1 3 . 1 1 20 20 LEU HA H 20 5.042 5.042 4.532 0.510 19946 1035 1 3 . 1 1 20 20 LEU CA C 20 52.314 52.314 54.053 -1.739 19946 1036 1 3 . 1 1 20 20 LEU CB C 20 43.234 43.234 45.854 -2.620 19946 1037 1 3 . 1 1 20 20 LEU H H 20 8.727 8.727 8.232 0.495 19946 1038 1 3 . 1 1 21 21 ILE N N 21 128.186 128.186 121.960 6.226 19946 1039 1 3 . 1 1 21 21 ILE HA H 21 4.547 4.547 4.309 0.238 19946 1040 1 3 . 1 1 21 21 ILE CA C 21 59.589 59.589 59.464 0.125 19946 1041 1 3 . 1 1 21 21 ILE CB C 21 38.545 38.545 42.377 -3.832 19946 1042 1 3 . 1 1 21 21 ILE H H 21 9.366 9.366 7.957 1.409 19946 1043 1 3 . 1 1 22 22 ASP N N 22 129.968 129.968 125.506 4.462 19946 1044 1 3 . 1 1 22 22 ASP HA H 22 3.803 3.803 5.409 -1.606 19946 1045 1 3 . 1 1 22 22 ASP CA C 22 51.435 51.435 52.608 -1.173 19946 1046 1 3 . 1 1 22 22 ASP CB C 22 42.062 42.062 42.921 -0.859 19946 1047 1 3 . 1 1 22 22 ASP H H 22 8.583 8.583 8.112 0.471 19946 1048 1 3 . 1 1 23 23 ILE N N 23 116.266 116.266 121.188 -4.922 19946 1049 1 3 . 1 1 23 23 ILE HA H 23 5.229 5.229 4.769 0.460 19946 1050 1 3 . 1 1 23 23 ILE CA C 23 59.374 59.374 59.301 0.073 19946 1051 1 3 . 1 1 23 23 ILE CB C 23 37.327 37.327 37.137 0.190 19946 1052 1 3 . 1 1 23 23 ILE H H 23 7.836 7.836 7.966 -0.130 19946 1053 1 3 . 1 1 24 24 ARG N N 24 125.001 125.001 121.738 3.263 19946 1054 1 3 . 1 1 24 24 ARG HA H 24 4.116 4.116 4.535 -0.419 19946 1055 1 3 . 1 1 24 24 ARG CA C 24 55.943 55.943 53.589 2.354 19946 1056 1 3 . 1 1 24 24 ARG CB C 24 30.135 30.135 30.906 -0.771 19946 1057 1 3 . 1 1 24 24 ARG H H 24 8.195 8.195 7.926 0.269 19946 1058 1 3 . 1 1 25 25 ASP N N 25 112.839 112.839 119.258 -6.419 19946 1059 1 3 . 1 1 25 25 ASP HA H 25 4.545 4.545 4.470 0.075 19946 1060 1 3 . 1 1 25 25 ASP CA C 25 53.870 53.870 54.795 -0.925 19946 1061 1 3 . 1 1 25 25 ASP CB C 25 41.327 41.327 41.044 0.283 19946 1062 1 3 . 1 1 25 25 ASP H H 25 7.660 7.660 8.384 -0.724 19946 1063 1 3 . 1 1 26 26 ALA N N 26 122.145 122.145 123.475 -1.330 19946 1064 1 3 . 1 1 26 26 ALA HA H 26 3.897 3.897 4.391 -0.494 19946 1065 1 3 . 1 1 26 26 ALA CA C 26 54.958 54.958 53.255 1.703 19946 1066 1 3 . 1 1 26 26 ALA CB C 26 17.520 17.520 20.385 -2.865 19946 1067 1 3 . 1 1 26 26 ALA H H 26 8.766 8.766 8.370 0.396 19946 1068 1 3 . 1 1 27 27 ASP N N 27 115.380 115.380 117.512 -2.132 19946 1069 1 3 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.494 -0.195 19946 1070 1 3 . 1 1 27 27 ASP CA C 27 56.451 56.451 56.074 0.377 19946 1071 1 3 . 1 1 27 27 ASP CB C 27 39.156 39.156 40.219 -1.063 19946 1072 1 3 . 1 1 27 27 ASP H H 27 8.686 8.686 8.404 0.282 19946 1073 1 3 . 1 1 28 28 GLU N N 28 120.081 120.081 118.440 1.641 19946 1074 1 3 . 1 1 28 28 GLU HA H 28 4.086 4.086 4.236 -0.150 19946 1075 1 3 . 1 1 28 28 GLU CA C 28 58.389 58.389 57.878 0.511 19946 1076 1 3 . 1 1 28 28 GLU CB C 28 28.728 28.728 30.116 -1.388 19946 1077 1 3 . 1 1 28 28 GLU H H 28 7.397 7.397 8.530 -1.133 19946 1078 1 3 . 1 1 29 29 TYR N N 29 121.205 121.205 117.881 3.324 19946 1079 1 3 . 1 1 29 29 TYR HA H 29 4.083 4.083 4.635 -0.552 19946 1080 1 3 . 1 1 29 29 TYR CA C 29 60.378 60.378 56.808 3.570 19946 1081 1 3 . 1 1 29 29 TYR CB C 29 38.699 38.699 38.609 0.090 19946 1082 1 3 . 1 1 29 29 TYR H H 29 7.506 7.506 7.838 -0.332 19946 1083 1 3 . 1 1 30 30 LEU N N 30 118.828 118.828 120.196 -1.368 19946 1084 1 3 . 1 1 30 30 LEU HA H 30 3.850 3.850 3.954 -0.104 19946 1085 1 3 . 1 1 30 30 LEU CA C 30 56.348 56.348 57.162 -0.814 19946 1086 1 3 . 1 1 30 30 LEU CB C 30 41.220 41.220 42.037 -0.817 19946 1087 1 3 . 1 1 30 30 LEU H H 30 8.211 8.211 7.649 0.562 19946 1088 1 3 . 1 1 31 31 ARG N N 31 118.220 118.220 118.193 0.027 19946 1089 1 3 . 1 1 31 31 ARG HA H 31 4.101 4.101 4.144 -0.043 19946 1090 1 3 . 1 1 31 31 ARG CA C 31 58.365 58.365 57.807 0.558 19946 1091 1 3 . 1 1 31 31 ARG CB C 31 30.074 30.074 30.367 -0.293 19946 1092 1 3 . 1 1 31 31 ARG H H 31 7.120 7.120 8.190 -1.070 19946 1093 1 3 . 1 1 32 32 GLU N N 32 117.980 117.980 117.434 0.546 19946 1094 1 3 . 1 1 32 32 GLU HA H 32 4.884 4.884 3.963 0.921 19946 1095 1 3 . 1 1 32 32 GLU CA C 32 55.339 55.339 57.394 -2.055 19946 1096 1 3 . 1 1 32 32 GLU CB C 32 31.698 31.698 29.746 1.952 19946 1097 1 3 . 1 1 32 32 GLU H H 32 7.506 7.506 8.158 -0.652 19946 1098 1 3 . 1 1 33 33 HIS N N 33 118.257 118.257 117.332 0.925 19946 1099 1 3 . 1 1 33 33 HIS HA H 33 4.643 4.643 4.675 -0.032 19946 1100 1 3 . 1 1 33 33 HIS CA C 33 53.766 53.766 54.277 -0.511 19946 1101 1 3 . 1 1 33 33 HIS CB C 33 29.940 29.940 32.641 -2.700 19946 1102 1 3 . 1 1 33 33 HIS H H 33 8.269 8.269 8.114 0.155 19946 1103 1 3 . 1 1 34 34 ILE N N 34 127.809 127.809 117.484 10.325 19946 1104 1 3 . 1 1 34 34 ILE HA H 34 3.920 3.920 4.440 -0.520 19946 1105 1 3 . 1 1 34 34 ILE CA C 34 59.648 59.648 58.372 1.276 19946 1106 1 3 . 1 1 34 34 ILE CB C 34 37.959 37.959 41.486 -3.527 19946 1107 1 3 . 1 1 34 34 ILE H H 34 9.989 9.989 8.241 1.748 19946 1108 1 3 . 1 1 35 35 PRO HA H 35 4.198 4.198 4.284 -0.086 19946 1109 1 3 . 1 1 36 36 GLU N N 36 114.414 114.414 118.461 -4.047 19946 1110 1 3 . 1 1 36 36 GLU HA H 36 4.082 4.082 4.328 -0.246 19946 1111 1 3 . 1 1 36 36 GLU CA C 36 57.861 57.861 56.111 1.750 19946 1112 1 3 . 1 1 36 36 GLU CB C 36 28.109 28.109 29.806 -1.698 19946 1113 1 3 . 1 1 36 36 GLU H H 36 8.557 8.557 8.027 0.530 19946 1114 1 3 . 1 1 37 37 ALA N N 37 122.882 122.882 124.599 -1.717 19946 1115 1 3 . 1 1 37 37 ALA HA H 37 4.439 4.439 4.647 -0.208 19946 1116 1 3 . 1 1 37 37 ALA CA C 37 52.005 52.005 51.568 0.437 19946 1117 1 3 . 1 1 37 37 ALA CB C 37 20.438 20.438 20.772 -0.334 19946 1118 1 3 . 1 1 37 37 ALA H H 37 8.096 8.096 7.926 0.170 19946 1119 1 3 . 1 1 38 38 ASP N N 38 124.471 124.471 118.225 6.246 19946 1120 1 3 . 1 1 38 38 ASP HA H 38 4.844 4.844 5.085 -0.241 19946 1121 1 3 . 1 1 38 38 ASP CA C 38 52.614 52.614 53.785 -1.171 19946 1122 1 3 . 1 1 38 38 ASP CB C 38 44.407 44.407 43.812 0.595 19946 1123 1 3 . 1 1 38 38 ASP H H 38 9.004 9.004 8.408 0.596 19946 1124 1 3 . 1 1 39 39 LEU N N 39 123.936 123.936 125.468 -1.532 19946 1125 1 3 . 1 1 39 39 LEU HA H 39 4.328 4.328 4.649 -0.321 19946 1126 1 3 . 1 1 39 39 LEU CA C 39 54.037 54.037 56.024 -1.987 19946 1127 1 3 . 1 1 39 39 LEU CB C 39 41.220 41.220 42.858 -1.638 19946 1128 1 3 . 1 1 39 39 LEU H H 39 8.125 8.125 8.748 -0.623 19946 1129 1 3 . 1 1 40 40 ALA N N 40 131.297 131.297 125.751 5.546 19946 1130 1 3 . 1 1 40 40 ALA HA H 40 4.408 4.408 4.579 -0.171 19946 1131 1 3 . 1 1 40 40 ALA CA C 40 48.784 48.784 50.722 -1.938 19946 1132 1 3 . 1 1 40 40 ALA CB C 40 17.979 17.979 19.768 -1.789 19946 1133 1 3 . 1 1 40 40 ALA H H 40 8.654 8.654 8.903 -0.249 19946 1134 1 3 . 1 1 41 41 PRO HA H 41 4.101 4.101 4.622 -0.521 19946 1135 1 3 . 1 1 41 41 PRO CA C 41 61.391 61.391 62.172 -0.781 19946 1136 1 3 . 1 1 41 41 PRO CB C 41 32.097 32.097 33.185 -1.089 19946 1137 1 3 . 1 1 42 42 LEU N N 42 125.312 125.312 120.120 5.192 19946 1138 1 3 . 1 1 42 42 LEU HA H 42 3.871 3.871 3.875 -0.004 19946 1139 1 3 . 1 1 42 42 LEU CA C 42 57.861 57.861 58.485 -0.624 19946 1140 1 3 . 1 1 42 42 LEU CB C 42 40.941 40.941 41.390 -0.449 19946 1141 1 3 . 1 1 42 42 LEU H H 42 8.285 8.285 8.517 -0.232 19946 1142 1 3 . 1 1 43 43 SER N N 43 110.669 110.669 114.134 -3.465 19946 1143 1 3 . 1 1 43 43 SER HA H 43 4.106 4.106 4.136 -0.030 19946 1144 1 3 . 1 1 43 43 SER CA C 43 60.497 60.497 61.050 -0.553 19946 1145 1 3 . 1 1 43 43 SER CB C 43 61.391 61.391 62.609 -1.218 19946 1146 1 3 . 1 1 43 43 SER H H 43 8.453 8.453 8.135 0.318 19946 1147 1 3 . 1 1 44 44 VAL N N 44 123.933 123.933 122.280 1.653 19946 1148 1 3 . 1 1 44 44 VAL HA H 44 3.821 3.821 3.811 0.010 19946 1149 1 3 . 1 1 44 44 VAL CA C 44 64.752 64.752 66.003 -1.251 19946 1150 1 3 . 1 1 44 44 VAL CB C 44 31.135 31.135 31.568 -0.433 19946 1151 1 3 . 1 1 44 44 VAL H H 44 7.156 7.156 7.891 -0.735 19946 1152 1 3 . 1 1 45 45 LEU N N 45 121.150 121.150 119.113 2.037 19946 1153 1 3 . 1 1 45 45 LEU HA H 45 3.767 3.767 4.139 -0.372 19946 1154 1 3 . 1 1 45 45 LEU CA C 45 56.599 56.599 57.423 -0.824 19946 1155 1 3 . 1 1 45 45 LEU CB C 45 40.890 40.890 41.233 -0.343 19946 1156 1 3 . 1 1 45 45 LEU H H 45 7.997 7.997 9.016 -1.019 19946 1157 1 3 . 1 1 46 46 GLU N N 46 116.256 116.256 119.026 -2.770 19946 1158 1 3 . 1 1 46 46 GLU HA H 46 3.678 3.678 4.275 -0.597 19946 1159 1 3 . 1 1 46 46 GLU CA C 46 58.365 58.365 58.465 -0.100 19946 1160 1 3 . 1 1 46 46 GLU CB C 46 29.622 29.622 29.810 -0.188 19946 1161 1 3 . 1 1 46 46 GLU H H 46 8.501 8.501 8.117 0.384 19946 1162 1 3 . 1 1 47 47 GLN N N 47 117.261 117.261 117.366 -0.105 19946 1163 1 3 . 1 1 47 47 GLN HA H 47 4.216 4.216 4.279 -0.063 19946 1164 1 3 . 1 1 47 47 GLN CA C 47 56.852 56.852 57.755 -0.902 19946 1165 1 3 . 1 1 47 47 GLN CB C 47 29.119 29.119 29.859 -0.740 19946 1166 1 3 . 1 1 47 47 GLN H H 47 7.407 7.407 8.118 -0.711 19946 1167 1 3 . 1 1 48 48 SER N N 48 111.890 111.890 112.338 -0.448 19946 1168 1 3 . 1 1 48 48 SER HA H 48 4.641 4.641 4.582 0.059 19946 1169 1 3 . 1 1 48 48 SER CA C 48 57.956 57.956 58.555 -0.599 19946 1170 1 3 . 1 1 48 48 SER CB C 48 63.912 63.912 65.057 -1.145 19946 1171 1 3 . 1 1 48 48 SER H H 48 8.566 8.566 8.401 0.165 19946 1172 1 3 . 1 1 49 49 GLY N N 49 111.545 111.545 110.213 1.332 19946 1173 1 3 . 1 1 49 49 GLY CA C 49 43.894 43.894 44.554 -0.660 19946 1174 1 3 . 1 1 49 49 GLY H H 49 7.836 7.836 7.886 -0.050 19946 1175 1 3 . 1 1 50 50 LEU N N 50 121.541 121.541 124.589 -3.048 19946 1176 1 3 . 1 1 50 50 LEU HA H 50 4.239 4.239 4.263 -0.024 19946 1177 1 3 . 1 1 50 50 LEU CA C 50 51.985 51.985 54.688 -2.703 19946 1178 1 3 . 1 1 50 50 LEU CB C 50 42.648 42.648 41.348 1.300 19946 1179 1 3 . 1 1 50 50 LEU H H 50 8.564 8.564 8.405 0.159 19946 1180 1 3 . 1 1 51 51 PRO HA H 51 4.243 4.243 4.518 -0.275 19946 1181 1 3 . 1 1 51 51 PRO CB C 51 31.639 31.639 32.502 -0.863 19946 1182 1 3 . 1 1 52 52 ALA N N 52 127.008 127.008 127.939 -0.931 19946 1183 1 3 . 1 1 52 52 ALA HA H 52 3.790 3.790 3.998 -0.208 19946 1184 1 3 . 1 1 52 52 ALA CA C 52 54.835 54.835 54.643 0.192 19946 1185 1 3 . 1 1 52 52 ALA CB C 52 17.715 17.715 18.646 -0.931 19946 1186 1 3 . 1 1 52 52 ALA H H 52 8.564 8.564 8.662 -0.098 19946 1187 1 3 . 1 1 53 53 LYS N N 53 114.535 114.535 115.380 -0.845 19946 1188 1 3 . 1 1 53 53 LYS HA H 53 4.106 4.106 4.067 0.039 19946 1189 1 3 . 1 1 53 53 LYS CA C 53 56.852 56.852 58.096 -1.244 19946 1190 1 3 . 1 1 53 53 LYS CB C 53 31.386 31.386 31.747 -0.361 19946 1191 1 3 . 1 1 53 53 LYS H H 53 8.364 8.364 8.329 0.035 19946 1192 1 3 . 1 1 54 54 LEU N N 54 118.515 118.515 117.409 1.106 19946 1193 1 3 . 1 1 54 54 LEU HA H 54 4.247 4.247 4.533 -0.286 19946 1194 1 3 . 1 1 54 54 LEU CA C 54 53.338 53.338 53.412 -0.074 19946 1195 1 3 . 1 1 54 54 LEU CB C 54 40.890 40.890 42.176 -1.286 19946 1196 1 3 . 1 1 54 54 LEU H H 54 7.745 7.745 7.416 0.329 19946 1197 1 3 . 1 1 55 55 ARG N N 55 117.612 117.612 121.397 -3.785 19946 1198 1 3 . 1 1 55 55 ARG HA H 55 3.927 3.927 4.468 -0.541 19946 1199 1 3 . 1 1 55 55 ARG CA C 55 56.832 56.832 55.640 1.192 19946 1200 1 3 . 1 1 55 55 ARG CB C 55 28.610 28.610 31.580 -2.970 19946 1201 1 3 . 1 1 55 55 ARG H H 55 6.938 6.938 7.662 -0.724 19946 1202 1 3 . 1 1 56 56 HIS N N 56 123.269 123.269 123.199 0.070 19946 1203 1 3 . 1 1 56 56 HIS HA H 56 4.614 4.614 4.830 -0.216 19946 1204 1 3 . 1 1 56 56 HIS CA C 56 54.835 54.835 55.401 -0.566 19946 1205 1 3 . 1 1 56 56 HIS CB C 56 32.648 32.648 31.866 0.781 19946 1206 1 3 . 1 1 56 56 HIS H H 56 7.237 7.237 8.531 -1.294 19946 1207 1 3 . 1 1 57 57 GLU N N 57 120.895 120.895 117.792 3.103 19946 1208 1 3 . 1 1 57 57 GLU HA H 57 3.976 3.976 4.465 -0.489 19946 1209 1 3 . 1 1 57 57 GLU CA C 57 58.871 58.871 56.576 2.295 19946 1210 1 3 . 1 1 57 57 GLU CB C 57 29.158 29.158 31.156 -1.998 19946 1211 1 3 . 1 1 57 57 GLU H H 57 7.625 7.625 8.870 -1.245 19946 1212 1 3 . 1 1 58 58 GLN N N 58 118.485 118.485 115.671 2.814 19946 1213 1 3 . 1 1 58 58 GLN HA H 58 5.425 5.425 5.125 0.300 19946 1214 1 3 . 1 1 58 58 GLN CA C 58 54.910 54.910 54.621 0.289 19946 1215 1 3 . 1 1 58 58 GLN CB C 58 32.285 32.285 30.291 1.994 19946 1216 1 3 . 1 1 58 58 GLN H H 58 8.335 8.335 7.735 0.600 19946 1217 1 3 . 1 1 59 59 ILE N N 59 123.505 123.505 118.725 4.780 19946 1218 1 3 . 1 1 59 59 ILE HA H 59 4.492 4.492 5.226 -0.734 19946 1219 1 3 . 1 1 59 59 ILE CA C 59 58.869 58.869 58.503 0.366 19946 1220 1 3 . 1 1 59 59 ILE CB C 59 42.332 42.332 41.522 0.810 19946 1221 1 3 . 1 1 59 59 ILE H H 59 8.704 8.704 8.204 0.500 19946 1222 1 3 . 1 1 60 60 ILE N N 60 126.464 126.464 115.701 10.763 19946 1223 1 3 . 1 1 60 60 ILE HA H 60 4.954 4.954 4.600 0.354 19946 1224 1 3 . 1 1 60 60 ILE CA C 60 57.357 57.357 59.982 -2.625 19946 1225 1 3 . 1 1 60 60 ILE CB C 60 39.131 39.131 42.396 -3.265 19946 1226 1 3 . 1 1 60 60 ILE H H 60 9.006 9.006 7.471 1.535 19946 1227 1 3 . 1 1 61 61 PHE N N 61 124.441 124.441 120.274 4.167 19946 1228 1 3 . 1 1 61 61 PHE HA H 61 5.795 5.795 5.029 0.766 19946 1229 1 3 . 1 1 61 61 PHE CA C 61 56.131 56.131 56.986 -0.855 19946 1230 1 3 . 1 1 61 61 PHE CB C 61 42.879 42.879 43.278 -0.399 19946 1231 1 3 . 1 1 61 61 PHE H H 61 8.938 8.938 8.227 0.711 19946 1232 1 3 . 1 1 62 62 HIS N N 62 117.494 117.494 118.930 -1.436 19946 1233 1 3 . 1 1 62 62 HIS HA H 62 5.928 5.928 5.084 0.844 19946 1234 1 3 . 1 1 62 62 HIS CA C 62 53.322 53.322 54.435 -1.113 19946 1235 1 3 . 1 1 62 62 HIS CB C 62 35.673 35.673 33.145 2.528 19946 1236 1 3 . 1 1 62 62 HIS H H 62 9.230 9.230 8.683 0.547 19946 1237 1 3 . 1 1 63 63 CYS N N 63 120.220 120.220 118.589 1.631 19946 1238 1 3 . 1 1 63 63 CYS HA H 63 5.033 5.033 4.716 0.317 19946 1239 1 3 . 1 1 63 63 CYS CA C 63 56.131 56.131 57.333 -1.202 19946 1240 1 3 . 1 1 63 63 CYS CB C 63 28.109 28.109 31.485 -3.376 19946 1241 1 3 . 1 1 63 63 CYS H H 63 8.131 8.131 8.827 -0.696 19946 1242 1 3 . 1 1 65 65 ALA N N 65 119.272 119.272 119.300 -0.028 19946 1243 1 3 . 1 1 65 65 ALA HA H 65 5.063 5.063 4.433 0.630 19946 1244 1 3 . 1 1 65 65 ALA CA C 65 49.793 49.793 51.616 -1.823 19946 1245 1 3 . 1 1 65 65 ALA CB C 65 19.775 19.775 18.455 1.320 19946 1246 1 3 . 1 1 65 65 ALA H H 65 8.967 8.967 7.454 1.513 19946 1247 1 3 . 1 1 66 66 GLY N N 66 113.296 113.296 109.288 4.008 19946 1248 1 3 . 1 1 66 66 GLY CA C 66 44.934 44.934 45.523 -0.589 19946 1249 1 3 . 1 1 66 66 GLY H H 66 8.778 8.778 7.796 0.982 19946 1250 1 3 . 1 1 67 67 LYS N N 67 121.300 121.300 119.542 1.758 19946 1251 1 3 . 1 1 67 67 LYS HA H 67 4.211 4.211 3.802 0.409 19946 1252 1 3 . 1 1 67 67 LYS H H 67 8.111 8.111 8.431 -0.320 19946 1253 1 3 . 1 1 68 68 ARG N N 68 126.092 126.092 119.817 6.275 19946 1254 1 3 . 1 1 68 68 ARG H H 68 9.067 9.067 8.540 0.527 19946 1255 1 3 . 1 1 69 69 THR N N 69 117.153 117.153 114.154 2.999 19946 1256 1 3 . 1 1 69 69 THR HA H 69 3.576 3.576 4.394 -0.818 19946 1257 1 3 . 1 1 69 69 THR CA C 69 65.397 65.397 63.310 2.087 19946 1258 1 3 . 1 1 69 69 THR CB C 69 66.938 66.938 69.386 -2.448 19946 1259 1 3 . 1 1 69 69 THR H H 69 10.233 10.233 7.927 2.306 19946 1260 1 3 . 1 1 70 70 SER N N 70 113.686 113.686 116.749 -3.063 19946 1261 1 3 . 1 1 70 70 SER HA H 70 4.091 4.091 4.336 -0.245 19946 1262 1 3 . 1 1 70 70 SER CA C 70 61.391 61.391 60.344 1.047 19946 1263 1 3 . 1 1 70 70 SER CB C 70 65.425 65.425 62.688 2.737 19946 1264 1 3 . 1 1 70 70 SER H H 70 7.322 7.322 8.312 -0.990 19946 1265 1 3 . 1 1 71 71 ASN N N 71 118.257 118.257 118.614 -0.357 19946 1266 1 3 . 1 1 71 71 ASN HA H 71 4.177 4.177 4.490 -0.313 19946 1267 1 3 . 1 1 71 71 ASN CA C 71 54.736 54.736 55.509 -0.773 19946 1268 1 3 . 1 1 71 71 ASN CB C 71 38.391 38.391 38.616 -0.225 19946 1269 1 3 . 1 1 71 71 ASN H H 71 7.863 7.863 8.632 -0.769 19946 1270 1 3 . 1 1 72 72 ASN N N 72 115.529 115.529 115.496 0.033 19946 1271 1 3 . 1 1 72 72 ASN HA H 72 5.127 5.127 4.909 0.218 19946 1272 1 3 . 1 1 72 72 ASN CA C 72 52.173 52.173 52.883 -0.710 19946 1273 1 3 . 1 1 72 72 ASN CB C 72 39.165 39.165 38.992 0.173 19946 1274 1 3 . 1 1 72 72 ASN H H 72 7.238 7.238 7.935 -0.697 19946 1275 1 3 . 1 1 73 73 ALA N N 73 125.388 125.388 122.950 2.438 19946 1276 1 3 . 1 1 73 73 ALA HA H 73 3.639 3.639 4.103 -0.464 19946 1277 1 3 . 1 1 73 73 ALA CA C 73 56.133 56.133 54.189 1.944 19946 1278 1 3 . 1 1 73 73 ALA CB C 73 18.528 18.528 19.330 -0.802 19946 1279 1 3 . 1 1 73 73 ALA H H 73 7.081 7.081 7.510 -0.429 19946 1280 1 3 . 1 1 74 74 ASP N N 74 115.501 115.501 119.770 -4.269 19946 1281 1 3 . 1 1 74 74 ASP HA H 74 4.135 4.135 4.442 -0.307 19946 1282 1 3 . 1 1 74 74 ASP CA C 74 55.891 55.891 57.490 -1.599 19946 1283 1 3 . 1 1 74 74 ASP CB C 74 38.699 38.699 40.857 -2.158 19946 1284 1 3 . 1 1 74 74 ASP H H 74 8.346 8.346 8.428 -0.082 19946 1285 1 3 . 1 1 75 75 LYS N N 75 122.469 122.469 119.311 3.158 19946 1286 1 3 . 1 1 75 75 LYS HA H 75 4.024 4.024 4.049 -0.025 19946 1287 1 3 . 1 1 75 75 LYS CA C 75 57.861 57.861 58.624 -0.763 19946 1288 1 3 . 1 1 75 75 LYS CB C 75 31.660 31.660 31.981 -0.321 19946 1289 1 3 . 1 1 75 75 LYS H H 75 7.583 7.583 8.234 -0.651 19946 1290 1 3 . 1 1 76 76 LEU N N 76 119.196 119.196 117.906 1.290 19946 1291 1 3 . 1 1 76 76 LEU HA H 76 3.570 3.570 3.925 -0.355 19946 1292 1 3 . 1 1 76 76 LEU CA C 76 56.852 56.852 57.353 -0.501 19946 1293 1 3 . 1 1 76 76 LEU CB C 76 39.245 39.245 41.405 -2.160 19946 1294 1 3 . 1 1 76 76 LEU H H 76 8.069 8.069 7.348 0.721 19946 1295 1 3 . 1 1 77 77 ALA N N 77 120.302 120.302 120.326 -0.024 19946 1296 1 3 . 1 1 77 77 ALA HA H 77 3.985 3.985 4.121 -0.136 19946 1297 1 3 . 1 1 77 77 ALA CA C 77 53.794 53.794 54.205 -0.411 19946 1298 1 3 . 1 1 77 77 ALA CB C 77 17.353 17.353 18.556 -1.203 19946 1299 1 3 . 1 1 77 77 ALA H H 77 8.063 8.063 7.566 0.497 19946 1300 1 3 . 1 1 78 78 ALA N N 78 119.602 119.602 117.758 1.844 19946 1301 1 3 . 1 1 78 78 ALA HA H 78 4.138 4.138 4.330 -0.192 19946 1302 1 3 . 1 1 78 78 ALA CA C 78 54.049 54.049 52.881 1.168 19946 1303 1 3 . 1 1 78 78 ALA CB C 78 17.520 17.520 19.303 -1.783 19946 1304 1 3 . 1 1 78 78 ALA H H 78 7.274 7.274 7.652 -0.378 19946 1305 1 3 . 1 1 79 79 ILE N N 79 118.809 118.809 119.489 -0.680 19946 1306 1 3 . 1 1 79 79 ILE HA H 79 3.798 3.798 3.943 -0.145 19946 1307 1 3 . 1 1 79 79 ILE CA C 79 63.354 63.354 63.257 0.097 19946 1308 1 3 . 1 1 79 79 ILE CB C 79 38.422 38.422 39.078 -0.656 19946 1309 1 3 . 1 1 79 79 ILE H H 79 8.170 8.170 7.740 0.430 19946 1310 1 3 . 1 1 80 80 ALA N N 80 118.736 118.736 120.107 -1.371 19946 1311 1 3 . 1 1 80 80 ALA HA H 80 4.412 4.412 4.629 -0.217 19946 1312 1 3 . 1 1 80 80 ALA CA C 80 50.801 50.801 50.181 0.620 19946 1313 1 3 . 1 1 80 80 ALA CB C 80 19.537 19.537 18.369 1.168 19946 1314 1 3 . 1 1 80 80 ALA H H 80 7.857 7.857 7.576 0.281 19946 1315 1 3 . 1 1 81 81 ALA N N 81 124.485 124.485 122.411 2.074 19946 1316 1 3 . 1 1 81 81 ALA HA H 81 4.353 4.353 5.073 -0.720 19946 1317 1 3 . 1 1 81 81 ALA CA C 81 51.305 51.305 49.285 2.020 19946 1318 1 3 . 1 1 81 81 ALA CB C 81 16.511 16.511 18.770 -2.259 19946 1319 1 3 . 1 1 81 81 ALA H H 81 7.191 7.191 7.499 -0.308 19946 1320 1 3 . 1 1 82 82 PRO CA C 82 62.903 62.903 62.965 -0.062 19946 1321 1 3 . 1 1 83 83 ALA N N 83 128.367 128.367 122.626 5.741 19946 1322 1 3 . 1 1 83 83 ALA HA H 83 4.058 4.058 4.027 0.031 19946 1323 1 3 . 1 1 83 83 ALA CA C 83 52.314 52.314 52.784 -0.470 19946 1324 1 3 . 1 1 83 83 ALA CB C 83 19.001 19.001 19.287 -0.286 19946 1325 1 3 . 1 1 83 83 ALA H H 83 8.472 8.472 7.667 0.805 19946 1326 1 3 . 1 1 84 84 GLU N N 84 122.108 122.108 122.818 -0.710 19946 1327 1 3 . 1 1 84 84 GLU HA H 84 4.164 4.164 4.301 -0.137 19946 1328 1 3 . 1 1 84 84 GLU CA C 84 55.937 55.937 56.762 -0.825 19946 1329 1 3 . 1 1 84 84 GLU CB C 84 30.213 30.213 30.322 -0.109 19946 1330 1 3 . 1 1 84 84 GLU H H 84 8.106 8.106 7.952 0.154 19946 1331 1 3 . 1 1 85 85 ILE N N 85 122.808 122.808 121.928 0.880 19946 1332 1 3 . 1 1 85 85 ILE HA H 85 5.211 5.211 4.525 0.686 19946 1333 1 3 . 1 1 85 85 ILE CA C 85 58.365 58.365 58.279 0.086 19946 1334 1 3 . 1 1 85 85 ILE CB C 85 39.707 39.707 39.937 -0.230 19946 1335 1 3 . 1 1 85 85 ILE H H 85 7.850 7.850 8.191 -0.341 19946 1336 1 3 . 1 1 86 86 PHE N N 86 122.937 122.937 120.381 2.556 19946 1337 1 3 . 1 1 86 86 PHE HA H 86 5.388 5.388 4.827 0.561 19946 1338 1 3 . 1 1 86 86 PHE CA C 86 54.509 54.509 55.730 -1.221 19946 1339 1 3 . 1 1 86 86 PHE CB C 86 42.878 42.878 42.135 0.743 19946 1340 1 3 . 1 1 86 86 PHE H H 86 9.004 9.004 7.912 1.092 19946 1341 1 3 . 1 1 87 87 LEU N N 87 120.712 120.712 118.125 2.587 19946 1342 1 3 . 1 1 87 87 LEU HA H 87 5.295 5.295 4.849 0.446 19946 1343 1 3 . 1 1 87 87 LEU CA C 87 51.810 51.810 54.016 -2.206 19946 1344 1 3 . 1 1 87 87 LEU CB C 87 42.059 42.059 44.398 -2.340 19946 1345 1 3 . 1 1 87 87 LEU H H 87 8.785 8.785 9.019 -0.234 19946 1346 1 3 . 1 1 88 88 LEU N N 88 124.779 124.779 122.592 2.187 19946 1347 1 3 . 1 1 88 88 LEU HA H 88 4.434 4.434 4.960 -0.526 19946 1348 1 3 . 1 1 88 88 LEU CA C 88 54.331 54.331 53.849 0.482 19946 1349 1 3 . 1 1 88 88 LEU CB C 88 42.648 42.648 43.329 -0.681 19946 1350 1 3 . 1 1 88 88 LEU H H 88 8.243 8.243 8.180 0.063 19946 1351 1 3 . 1 1 89 89 GLU N N 89 112.478 112.478 124.178 -11.700 19946 1352 1 3 . 1 1 89 89 GLU HA H 89 3.881 3.881 4.158 -0.277 19946 1353 1 3 . 1 1 89 89 GLU H H 89 9.343 9.343 8.437 0.906 19946 1354 1 3 . 1 1 90 90 ASP N N 90 120.709 120.709 120.059 0.650 19946 1355 1 3 . 1 1 90 90 ASP HA H 90 4.168 4.168 4.500 -0.332 19946 1356 1 3 . 1 1 90 90 ASP H H 90 9.062 9.062 8.044 1.018 19946 1357 1 3 . 1 1 91 91 GLY N N 91 105.049 105.049 109.847 -4.798 19946 1358 1 3 . 1 1 91 91 GLY CA C 91 46.263 46.263 46.572 -0.309 19946 1359 1 3 . 1 1 91 91 GLY H H 91 7.848 7.848 8.372 -0.524 19946 1360 1 3 . 1 1 92 92 ILE N N 92 122.127 122.127 120.435 1.692 19946 1361 1 3 . 1 1 92 92 ILE HA H 92 3.811 3.811 3.972 -0.161 19946 1362 1 3 . 1 1 92 92 ILE CA C 92 62.656 62.656 64.104 -1.448 19946 1363 1 3 . 1 1 92 92 ILE CB C 92 37.243 37.243 38.183 -0.940 19946 1364 1 3 . 1 1 92 92 ILE H H 92 8.077 8.077 8.786 -0.709 19946 1365 1 3 . 1 1 93 93 ASP N N 93 127.038 127.038 118.367 8.671 19946 1366 1 3 . 1 1 93 93 ASP HA H 93 4.452 4.452 4.545 -0.093 19946 1367 1 3 . 1 1 93 93 ASP CA C 93 57.357 57.357 57.822 -0.465 19946 1368 1 3 . 1 1 93 93 ASP CB C 93 38.194 38.194 40.512 -2.318 19946 1369 1 3 . 1 1 93 93 ASP H H 93 9.094 9.094 8.612 0.482 19946 1370 1 3 . 1 1 94 94 GLY N N 94 111.411 111.411 107.584 3.827 19946 1371 1 3 . 1 1 94 94 GLY CA C 94 44.750 44.750 46.022 -1.272 19946 1372 1 3 . 1 1 94 94 GLY H H 94 8.047 8.047 7.921 0.126 19946 1373 1 3 . 1 1 95 95 TRP N N 95 127.574 127.574 122.622 4.952 19946 1374 1 3 . 1 1 95 95 TRP HA H 95 3.738 3.738 4.472 -0.734 19946 1375 1 3 . 1 1 95 95 TRP CA C 95 60.852 60.852 58.345 2.507 19946 1376 1 3 . 1 1 95 95 TRP CB C 95 28.613 28.613 30.387 -1.774 19946 1377 1 3 . 1 1 95 95 TRP H H 95 7.918 7.918 8.415 -0.497 19946 1378 1 3 . 1 1 96 96 LYS N N 96 117.374 117.374 119.250 -1.876 19946 1379 1 3 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.163 -0.084 19946 1380 1 3 . 1 1 96 96 LYS CA C 96 59.091 59.091 57.793 1.298 19946 1381 1 3 . 1 1 96 96 LYS H H 96 8.625 8.625 7.909 0.716 19946 1382 1 3 . 1 1 97 97 LYS N N 97 123.490 123.490 118.509 4.981 19946 1383 1 3 . 1 1 97 97 LYS HA H 97 4.021 4.021 4.160 -0.139 19946 1384 1 3 . 1 1 97 97 LYS CB C 97 31.542 31.542 32.058 -0.516 19946 1385 1 3 . 1 1 97 97 LYS H H 97 8.233 8.233 8.411 -0.178 19946 1386 1 3 . 1 1 98 98 ALA N N 98 120.321 120.321 120.140 0.181 19946 1387 1 3 . 1 1 98 98 ALA HA H 98 4.248 4.248 4.554 -0.306 19946 1388 1 3 . 1 1 98 98 ALA CA C 98 51.305 51.305 51.226 0.079 19946 1389 1 3 . 1 1 98 98 ALA CB C 98 17.744 17.744 18.811 -1.067 19946 1390 1 3 . 1 1 98 98 ALA H H 98 7.480 7.480 7.229 0.251 19946 1391 1 3 . 1 1 99 99 GLY N N 99 106.984 106.984 108.526 -1.542 19946 1392 1 3 . 1 1 99 99 GLY CA C 99 44.246 44.246 45.718 -1.472 19946 1393 1 3 . 1 1 99 99 GLY H H 99 7.867 7.867 7.569 0.298 19946 1394 1 3 . 1 1 100 100 LEU N N 100 122.993 122.993 119.845 3.148 19946 1395 1 3 . 1 1 100 100 LEU HA H 100 4.277 4.277 4.329 -0.052 19946 1396 1 3 . 1 1 100 100 LEU CA C 100 52.314 52.314 50.893 1.421 19946 1397 1 3 . 1 1 100 100 LEU CB C 100 36.786 36.786 42.434 -5.648 19946 1398 1 3 . 1 1 100 100 LEU H H 100 6.958 6.958 7.153 -0.195 19946 1399 1 3 . 1 1 101 101 PRO HA H 101 4.492 4.492 4.558 -0.066 19946 1400 1 3 . 1 1 101 101 PRO CB C 101 32.097 32.097 32.034 0.063 19946 1401 1 3 . 1 1 102 102 VAL N N 102 111.514 111.514 116.904 -5.390 19946 1402 1 3 . 1 1 102 102 VAL HA H 102 4.367 4.367 4.444 -0.076 19946 1403 1 3 . 1 1 102 102 VAL CA C 102 58.869 58.869 59.881 -1.012 19946 1404 1 3 . 1 1 102 102 VAL CB C 102 35.351 35.351 32.206 3.145 19946 1405 1 3 . 1 1 102 102 VAL H H 102 7.988 7.988 8.463 -0.475 19946 1406 1 3 . 1 1 103 103 ALA N N 103 126.676 126.676 123.655 3.021 19946 1407 1 3 . 1 1 103 103 ALA HA H 103 4.524 4.524 4.292 0.232 19946 1408 1 3 . 1 1 103 103 ALA CA C 103 49.793 49.793 51.903 -2.110 19946 1409 1 3 . 1 1 103 103 ALA CB C 103 18.600 18.600 17.708 0.892 19946 1410 1 3 . 1 1 103 103 ALA H H 103 8.919 8.919 8.311 0.608 19946 1411 1 3 . 1 1 104 104 VAL N N 104 121.148 121.148 124.505 -3.357 19946 1412 1 3 . 1 1 104 104 VAL HA H 104 4.475 4.475 4.076 0.399 19946 1413 1 3 . 1 1 104 104 VAL CA C 104 59.374 59.374 60.675 -1.301 19946 1414 1 3 . 1 1 104 104 VAL CB C 104 33.884 33.884 32.993 0.891 19946 1415 1 3 . 1 1 104 104 VAL H H 104 8.241 8.241 7.821 0.420 19946 1416 1 3 . 1 1 105 105 ASN N N 105 123.816 123.816 118.773 5.043 19946 1417 1 3 . 1 1 105 105 ASN HA H 105 4.674 4.674 4.483 0.191 19946 1418 1 3 . 1 1 105 105 ASN CA C 105 53.200 53.200 55.775 -2.575 19946 1419 1 3 . 1 1 105 105 ASN CB C 105 37.959 37.959 38.522 -0.563 19946 1420 1 3 . 1 1 105 105 ASN H H 105 8.150 8.150 8.515 -0.365 19946 1421 1 3 . 1 1 106 106 LYS N N 106 123.804 123.804 115.878 7.926 19946 1422 1 3 . 1 1 106 106 LYS H H 106 8.340 8.340 7.817 0.523 19946 1423 1 4 . 1 1 2 2 LEU N N 2 120.763 120.763 119.503 1.260 19946 1424 1 4 . 1 1 2 2 LEU HA H 2 4.384 4.384 4.476 -0.092 19946 1425 1 4 . 1 1 2 2 LEU CA C 2 53.827 53.827 54.390 -0.563 19946 1426 1 4 . 1 1 2 2 LEU CB C 2 42.229 42.229 39.635 2.594 19946 1427 1 4 . 1 1 2 2 LEU H H 2 7.888 7.888 8.254 -0.366 19946 1428 1 4 . 1 1 3 3 THR N N 3 118.330 118.330 118.171 0.159 19946 1429 1 4 . 1 1 3 3 THR HA H 3 4.469 4.469 4.576 -0.107 19946 1430 1 4 . 1 1 3 3 THR CA C 3 61.391 61.391 60.687 0.704 19946 1431 1 4 . 1 1 3 3 THR CB C 3 69.496 69.496 70.307 -0.811 19946 1432 1 4 . 1 1 3 3 THR H H 3 7.905 7.905 7.479 0.426 19946 1433 1 4 . 1 1 4 4 THR N N 4 122.024 122.024 116.968 5.056 19946 1434 1 4 . 1 1 4 4 THR HA H 4 5.171 5.171 4.526 0.645 19946 1435 1 4 . 1 1 4 4 THR CA C 4 61.595 61.595 62.076 -0.481 19946 1436 1 4 . 1 1 4 4 THR CB C 4 69.027 69.027 70.531 -1.504 19946 1437 1 4 . 1 1 4 4 THR H H 4 8.504 8.504 8.457 0.047 19946 1438 1 4 . 1 1 5 5 ILE N N 5 122.667 122.667 121.708 0.959 19946 1439 1 4 . 1 1 5 5 ILE HA H 5 4.973 4.973 4.639 0.334 19946 1440 1 4 . 1 1 5 5 ILE CA C 5 57.971 57.971 58.760 -0.789 19946 1441 1 4 . 1 1 5 5 ILE CB C 5 41.458 41.458 41.007 0.451 19946 1442 1 4 . 1 1 5 5 ILE H H 5 8.903 8.903 8.112 0.791 19946 1443 1 4 . 1 1 6 6 SER N N 6 123.156 123.156 115.981 7.175 19946 1444 1 4 . 1 1 6 6 SER HA H 6 4.785 4.785 5.108 -0.323 19946 1445 1 4 . 1 1 6 6 SER H H 6 9.138 9.138 8.306 0.832 19946 1446 1 4 . 1 1 7 7 PRO HA H 7 4.004 4.004 4.432 -0.428 19946 1447 1 4 . 1 1 7 7 PRO CA C 7 65.510 65.510 64.897 0.613 19946 1448 1 4 . 1 1 7 7 PRO CB C 7 30.924 30.924 31.874 -0.950 19946 1449 1 4 . 1 1 8 8 HIS N N 8 114.319 114.319 115.424 -1.105 19946 1450 1 4 . 1 1 8 8 HIS HA H 8 3.989 3.989 4.428 -0.439 19946 1451 1 4 . 1 1 8 8 HIS CA C 8 60.050 60.050 59.525 0.525 19946 1452 1 4 . 1 1 8 8 HIS CB C 8 28.613 28.613 29.590 -0.977 19946 1453 1 4 . 1 1 8 8 HIS H H 8 8.127 8.127 8.420 -0.293 19946 1454 1 4 . 1 1 9 9 ASP N N 9 121.300 121.300 117.458 3.842 19946 1455 1 4 . 1 1 9 9 ASP HA H 9 4.301 4.301 4.743 -0.442 19946 1456 1 4 . 1 1 9 9 ASP CA C 9 56.455 56.455 55.171 1.284 19946 1457 1 4 . 1 1 9 9 ASP CB C 9 38.699 38.699 41.625 -2.926 19946 1458 1 4 . 1 1 9 9 ASP H H 9 7.639 7.639 7.739 -0.100 19946 1459 1 4 . 1 1 10 10 ALA N N 10 123.991 123.991 122.807 1.184 19946 1460 1 4 . 1 1 10 10 ALA HA H 10 3.719 3.719 4.140 -0.421 19946 1461 1 4 . 1 1 10 10 ALA CA C 10 54.331 54.331 54.786 -0.455 19946 1462 1 4 . 1 1 10 10 ALA CB C 10 17.549 17.549 18.480 -0.931 19946 1463 1 4 . 1 1 10 10 ALA H H 10 8.820 8.820 7.659 1.161 19946 1464 1 4 . 1 1 11 11 GLN N N 11 118.128 118.128 115.893 2.235 19946 1465 1 4 . 1 1 11 11 GLN HA H 11 3.933 3.933 4.164 -0.231 19946 1466 1 4 . 1 1 11 11 GLN CA C 11 59.389 59.389 57.547 1.842 19946 1467 1 4 . 1 1 11 11 GLN CB C 11 27.948 27.948 28.442 -0.494 19946 1468 1 4 . 1 1 11 11 GLN H H 11 8.353 8.353 8.105 0.248 19946 1469 1 4 . 1 1 12 12 GLU N N 12 119.307 119.307 120.368 -1.061 19946 1470 1 4 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.263 -0.240 19946 1471 1 4 . 1 1 12 12 GLU CA C 12 58.476 58.476 58.545 -0.070 19946 1472 1 4 . 1 1 12 12 GLU CB C 12 28.532 28.532 30.286 -1.754 19946 1473 1 4 . 1 1 12 12 GLU H H 12 7.197 7.197 7.738 -0.541 19946 1474 1 4 . 1 1 13 13 LEU N N 13 120.635 120.635 118.491 2.144 19946 1475 1 4 . 1 1 13 13 LEU HA H 13 3.821 3.821 4.070 -0.249 19946 1476 1 4 . 1 1 13 13 LEU CA C 13 57.065 57.065 58.144 -1.079 19946 1477 1 4 . 1 1 13 13 LEU CB C 13 40.890 40.890 41.449 -0.559 19946 1478 1 4 . 1 1 13 13 LEU H H 13 7.554 7.554 7.440 0.114 19946 1479 1 4 . 1 1 14 14 ILE N N 14 123.021 123.021 119.685 3.336 19946 1480 1 4 . 1 1 14 14 ILE HA H 14 3.827 3.827 3.855 -0.028 19946 1481 1 4 . 1 1 14 14 ILE CA C 14 64.053 64.053 64.828 -0.775 19946 1482 1 4 . 1 1 14 14 ILE CB C 14 38.115 38.115 37.729 0.386 19946 1483 1 4 . 1 1 14 14 ILE H H 14 8.710 8.710 7.904 0.806 19946 1484 1 4 . 1 1 15 15 ALA N N 15 124.504 124.504 119.591 4.913 19946 1485 1 4 . 1 1 15 15 ALA HA H 15 4.115 4.115 4.150 -0.035 19946 1486 1 4 . 1 1 15 15 ALA CA C 15 54.257 54.257 53.860 0.397 19946 1487 1 4 . 1 1 15 15 ALA CB C 15 17.040 17.040 18.319 -1.279 19946 1488 1 4 . 1 1 15 15 ALA H H 15 7.758 7.758 7.957 -0.199 19946 1489 1 4 . 1 1 16 16 ARG N N 16 115.990 115.990 116.827 -0.837 19946 1490 1 4 . 1 1 16 16 ARG HA H 16 4.348 4.348 4.343 0.005 19946 1491 1 4 . 1 1 16 16 ARG CA C 16 55.416 55.416 56.864 -1.448 19946 1492 1 4 . 1 1 16 16 ARG CB C 16 29.762 29.762 31.124 -1.362 19946 1493 1 4 . 1 1 16 16 ARG H H 16 7.252 7.252 7.898 -0.646 19946 1494 1 4 . 1 1 17 17 GLY N N 17 107.981 107.981 105.279 2.702 19946 1495 1 4 . 1 1 17 17 GLY CA C 17 44.854 44.854 44.906 -0.052 19946 1496 1 4 . 1 1 17 17 GLY H H 17 7.748 7.748 7.475 0.273 19946 1497 1 4 . 1 1 18 18 ALA N N 18 123.914 123.914 125.454 -1.540 19946 1498 1 4 . 1 1 18 18 ALA HA H 18 4.221 4.221 4.264 -0.043 19946 1499 1 4 . 1 1 18 18 ALA CA C 18 52.270 52.270 53.022 -0.752 19946 1500 1 4 . 1 1 18 18 ALA CB C 18 18.638 18.638 19.254 -0.616 19946 1501 1 4 . 1 1 18 18 ALA H H 18 7.940 7.940 7.870 0.070 19946 1502 1 4 . 1 1 19 19 LYS N N 19 119.436 119.436 123.374 -3.938 19946 1503 1 4 . 1 1 19 19 LYS HA H 19 4.301 4.301 4.175 0.126 19946 1504 1 4 . 1 1 19 19 LYS CA C 19 53.105 53.105 56.140 -3.035 19946 1505 1 4 . 1 1 19 19 LYS CB C 19 32.856 32.856 34.538 -1.682 19946 1506 1 4 . 1 1 19 19 LYS H H 19 7.565 7.565 8.393 -0.828 19946 1507 1 4 . 1 1 20 20 LEU N N 20 127.401 127.401 120.604 6.797 19946 1508 1 4 . 1 1 20 20 LEU HA H 20 5.042 5.042 5.388 -0.346 19946 1509 1 4 . 1 1 20 20 LEU CA C 20 52.314 52.314 53.234 -0.920 19946 1510 1 4 . 1 1 20 20 LEU CB C 20 43.234 43.234 45.307 -2.073 19946 1511 1 4 . 1 1 20 20 LEU H H 20 8.727 8.727 8.260 0.467 19946 1512 1 4 . 1 1 21 21 ILE N N 21 128.186 128.186 122.427 5.759 19946 1513 1 4 . 1 1 21 21 ILE HA H 21 4.547 4.547 4.345 0.202 19946 1514 1 4 . 1 1 21 21 ILE CA C 21 59.589 59.589 60.356 -0.767 19946 1515 1 4 . 1 1 21 21 ILE CB C 21 38.545 38.545 43.323 -4.778 19946 1516 1 4 . 1 1 21 21 ILE H H 21 9.366 9.366 8.113 1.253 19946 1517 1 4 . 1 1 22 22 ASP N N 22 129.968 129.968 123.471 6.497 19946 1518 1 4 . 1 1 22 22 ASP HA H 22 3.803 3.803 5.016 -1.213 19946 1519 1 4 . 1 1 22 22 ASP CA C 22 51.435 51.435 53.372 -1.937 19946 1520 1 4 . 1 1 22 22 ASP CB C 22 42.062 42.062 43.660 -1.599 19946 1521 1 4 . 1 1 22 22 ASP H H 22 8.583 8.583 8.020 0.563 19946 1522 1 4 . 1 1 23 23 ILE N N 23 116.266 116.266 119.613 -3.347 19946 1523 1 4 . 1 1 23 23 ILE HA H 23 5.229 5.229 4.594 0.635 19946 1524 1 4 . 1 1 23 23 ILE CA C 23 59.374 59.374 59.552 -0.178 19946 1525 1 4 . 1 1 23 23 ILE CB C 23 37.327 37.327 36.446 0.881 19946 1526 1 4 . 1 1 23 23 ILE H H 23 7.836 7.836 7.761 0.075 19946 1527 1 4 . 1 1 24 24 ARG N N 24 125.001 125.001 120.023 4.978 19946 1528 1 4 . 1 1 24 24 ARG HA H 24 4.116 4.116 4.547 -0.431 19946 1529 1 4 . 1 1 24 24 ARG CA C 24 55.943 55.943 53.844 2.099 19946 1530 1 4 . 1 1 24 24 ARG CB C 24 30.135 30.135 32.323 -2.188 19946 1531 1 4 . 1 1 24 24 ARG H H 24 8.195 8.195 7.191 1.004 19946 1532 1 4 . 1 1 25 25 ASP N N 25 112.839 112.839 120.317 -7.478 19946 1533 1 4 . 1 1 25 25 ASP HA H 25 4.545 4.545 4.588 -0.043 19946 1534 1 4 . 1 1 25 25 ASP CA C 25 53.870 53.870 54.479 -0.609 19946 1535 1 4 . 1 1 25 25 ASP CB C 25 41.327 41.327 41.295 0.032 19946 1536 1 4 . 1 1 25 25 ASP H H 25 7.660 7.660 8.197 -0.537 19946 1537 1 4 . 1 1 26 26 ALA N N 26 122.145 122.145 120.361 1.784 19946 1538 1 4 . 1 1 26 26 ALA HA H 26 3.897 3.897 4.455 -0.558 19946 1539 1 4 . 1 1 26 26 ALA CA C 26 54.958 54.958 54.017 0.941 19946 1540 1 4 . 1 1 26 26 ALA CB C 26 17.520 17.520 20.067 -2.547 19946 1541 1 4 . 1 1 26 26 ALA H H 26 8.766 8.766 8.264 0.502 19946 1542 1 4 . 1 1 27 27 ASP N N 27 115.380 115.380 119.231 -3.851 19946 1543 1 4 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.282 0.017 19946 1544 1 4 . 1 1 27 27 ASP CA C 27 56.451 56.451 57.324 -0.873 19946 1545 1 4 . 1 1 27 27 ASP CB C 27 39.156 39.156 39.936 -0.780 19946 1546 1 4 . 1 1 27 27 ASP H H 27 8.686 8.686 8.704 -0.018 19946 1547 1 4 . 1 1 28 28 GLU N N 28 120.081 120.081 116.616 3.465 19946 1548 1 4 . 1 1 28 28 GLU HA H 28 4.086 4.086 4.031 0.055 19946 1549 1 4 . 1 1 28 28 GLU CA C 28 58.389 58.389 58.724 -0.334 19946 1550 1 4 . 1 1 28 28 GLU CB C 28 28.728 28.728 28.922 -0.194 19946 1551 1 4 . 1 1 28 28 GLU H H 28 7.397 7.397 8.897 -1.500 19946 1552 1 4 . 1 1 29 29 TYR N N 29 121.205 121.205 121.656 -0.451 19946 1553 1 4 . 1 1 29 29 TYR HA H 29 4.083 4.083 4.676 -0.593 19946 1554 1 4 . 1 1 29 29 TYR CA C 29 60.378 60.378 59.121 1.257 19946 1555 1 4 . 1 1 29 29 TYR CB C 29 38.699 38.699 38.733 -0.034 19946 1556 1 4 . 1 1 29 29 TYR H H 29 7.506 7.506 7.911 -0.405 19946 1557 1 4 . 1 1 30 30 LEU N N 30 118.828 118.828 120.137 -1.309 19946 1558 1 4 . 1 1 30 30 LEU HA H 30 3.850 3.850 3.658 0.192 19946 1559 1 4 . 1 1 30 30 LEU CA C 30 56.348 56.348 57.429 -1.081 19946 1560 1 4 . 1 1 30 30 LEU CB C 30 41.220 41.220 41.587 -0.367 19946 1561 1 4 . 1 1 30 30 LEU H H 30 8.211 8.211 8.304 -0.093 19946 1562 1 4 . 1 1 31 31 ARG N N 31 118.220 118.220 117.701 0.519 19946 1563 1 4 . 1 1 31 31 ARG HA H 31 4.101 4.101 4.207 -0.106 19946 1564 1 4 . 1 1 31 31 ARG CA C 31 58.365 58.365 57.771 0.594 19946 1565 1 4 . 1 1 31 31 ARG CB C 31 30.074 30.074 31.333 -1.259 19946 1566 1 4 . 1 1 31 31 ARG H H 31 7.120 7.120 7.753 -0.633 19946 1567 1 4 . 1 1 32 32 GLU N N 32 117.980 117.980 117.146 0.834 19946 1568 1 4 . 1 1 32 32 GLU HA H 32 4.884 4.884 4.375 0.509 19946 1569 1 4 . 1 1 32 32 GLU CA C 32 55.339 55.339 56.656 -1.317 19946 1570 1 4 . 1 1 32 32 GLU CB C 32 31.698 31.698 30.902 0.796 19946 1571 1 4 . 1 1 32 32 GLU H H 32 7.506 7.506 7.792 -0.286 19946 1572 1 4 . 1 1 33 33 HIS N N 33 118.257 118.257 117.729 0.528 19946 1573 1 4 . 1 1 33 33 HIS HA H 33 4.643 4.643 5.024 -0.381 19946 1574 1 4 . 1 1 33 33 HIS CA C 33 53.766 53.766 54.260 -0.494 19946 1575 1 4 . 1 1 33 33 HIS CB C 33 29.940 29.940 32.959 -3.019 19946 1576 1 4 . 1 1 33 33 HIS H H 33 8.269 8.269 8.500 -0.231 19946 1577 1 4 . 1 1 34 34 ILE N N 34 127.809 127.809 118.021 9.788 19946 1578 1 4 . 1 1 34 34 ILE HA H 34 3.920 3.920 4.432 -0.512 19946 1579 1 4 . 1 1 34 34 ILE CA C 34 59.648 59.648 58.214 1.434 19946 1580 1 4 . 1 1 34 34 ILE CB C 34 37.959 37.959 42.286 -4.327 19946 1581 1 4 . 1 1 34 34 ILE H H 34 9.989 9.989 8.094 1.895 19946 1582 1 4 . 1 1 35 35 PRO HA H 35 4.198 4.198 4.292 -0.094 19946 1583 1 4 . 1 1 36 36 GLU N N 36 114.414 114.414 122.825 -8.411 19946 1584 1 4 . 1 1 36 36 GLU HA H 36 4.082 4.082 3.728 0.354 19946 1585 1 4 . 1 1 36 36 GLU CA C 36 57.861 57.861 57.249 0.612 19946 1586 1 4 . 1 1 36 36 GLU CB C 36 28.109 28.109 29.116 -1.007 19946 1587 1 4 . 1 1 36 36 GLU H H 36 8.557 8.557 8.103 0.454 19946 1588 1 4 . 1 1 37 37 ALA N N 37 122.882 122.882 125.402 -2.520 19946 1589 1 4 . 1 1 37 37 ALA HA H 37 4.439 4.439 4.600 -0.161 19946 1590 1 4 . 1 1 37 37 ALA CA C 37 52.005 52.005 51.608 0.397 19946 1591 1 4 . 1 1 37 37 ALA CB C 37 20.438 20.438 20.884 -0.447 19946 1592 1 4 . 1 1 37 37 ALA H H 37 8.096 8.096 8.024 0.072 19946 1593 1 4 . 1 1 38 38 ASP N N 38 124.471 124.471 117.879 6.592 19946 1594 1 4 . 1 1 38 38 ASP HA H 38 4.844 4.844 4.789 0.055 19946 1595 1 4 . 1 1 38 38 ASP CA C 38 52.614 52.614 54.005 -1.391 19946 1596 1 4 . 1 1 38 38 ASP CB C 38 44.407 44.407 43.570 0.837 19946 1597 1 4 . 1 1 38 38 ASP H H 38 9.004 9.004 8.348 0.656 19946 1598 1 4 . 1 1 39 39 LEU N N 39 123.936 123.936 121.537 2.399 19946 1599 1 4 . 1 1 39 39 LEU HA H 39 4.328 4.328 4.004 0.324 19946 1600 1 4 . 1 1 39 39 LEU CA C 39 54.037 54.037 55.857 -1.820 19946 1601 1 4 . 1 1 39 39 LEU CB C 39 41.220 41.220 41.919 -0.699 19946 1602 1 4 . 1 1 39 39 LEU H H 39 8.125 8.125 8.174 -0.049 19946 1603 1 4 . 1 1 40 40 ALA N N 40 131.297 131.297 126.103 5.194 19946 1604 1 4 . 1 1 40 40 ALA HA H 40 4.408 4.408 4.439 -0.031 19946 1605 1 4 . 1 1 40 40 ALA CA C 40 48.784 48.784 50.894 -2.110 19946 1606 1 4 . 1 1 40 40 ALA CB C 40 17.979 17.979 19.094 -1.115 19946 1607 1 4 . 1 1 40 40 ALA H H 40 8.654 8.654 8.596 0.058 19946 1608 1 4 . 1 1 41 41 PRO HA H 41 4.101 4.101 4.595 -0.494 19946 1609 1 4 . 1 1 41 41 PRO CA C 41 61.391 61.391 62.117 -0.726 19946 1610 1 4 . 1 1 41 41 PRO CB C 41 32.097 32.097 32.536 -0.439 19946 1611 1 4 . 1 1 42 42 LEU N N 42 125.312 125.312 119.691 5.621 19946 1612 1 4 . 1 1 42 42 LEU HA H 42 3.871 3.871 3.811 0.060 19946 1613 1 4 . 1 1 42 42 LEU CA C 42 57.861 57.861 58.446 -0.585 19946 1614 1 4 . 1 1 42 42 LEU CB C 42 40.941 40.941 41.085 -0.144 19946 1615 1 4 . 1 1 42 42 LEU H H 42 8.285 8.285 8.457 -0.172 19946 1616 1 4 . 1 1 43 43 SER N N 43 110.669 110.669 114.927 -4.258 19946 1617 1 4 . 1 1 43 43 SER HA H 43 4.106 4.106 4.022 0.084 19946 1618 1 4 . 1 1 43 43 SER CA C 43 60.497 60.497 62.432 -1.935 19946 1619 1 4 . 1 1 43 43 SER CB C 43 61.391 61.391 62.711 -1.320 19946 1620 1 4 . 1 1 43 43 SER H H 43 8.453 8.453 8.209 0.244 19946 1621 1 4 . 1 1 44 44 VAL N N 44 123.933 123.933 122.519 1.414 19946 1622 1 4 . 1 1 44 44 VAL HA H 44 3.821 3.821 3.716 0.105 19946 1623 1 4 . 1 1 44 44 VAL CA C 44 64.752 64.752 66.642 -1.890 19946 1624 1 4 . 1 1 44 44 VAL CB C 44 31.135 31.135 31.816 -0.681 19946 1625 1 4 . 1 1 44 44 VAL H H 44 7.156 7.156 7.819 -0.663 19946 1626 1 4 . 1 1 45 45 LEU N N 45 121.150 121.150 119.865 1.285 19946 1627 1 4 . 1 1 45 45 LEU HA H 45 3.767 3.767 3.943 -0.176 19946 1628 1 4 . 1 1 45 45 LEU CA C 45 56.599 56.599 57.884 -1.285 19946 1629 1 4 . 1 1 45 45 LEU CB C 45 40.890 40.890 41.393 -0.503 19946 1630 1 4 . 1 1 45 45 LEU H H 45 7.997 7.997 8.954 -0.957 19946 1631 1 4 . 1 1 46 46 GLU N N 46 116.256 116.256 118.283 -2.027 19946 1632 1 4 . 1 1 46 46 GLU HA H 46 3.678 3.678 4.260 -0.582 19946 1633 1 4 . 1 1 46 46 GLU CA C 46 58.365 58.365 58.083 0.282 19946 1634 1 4 . 1 1 46 46 GLU CB C 46 29.622 29.622 30.177 -0.555 19946 1635 1 4 . 1 1 46 46 GLU H H 46 8.501 8.501 8.138 0.363 19946 1636 1 4 . 1 1 47 47 GLN N N 47 117.261 117.261 118.190 -0.929 19946 1637 1 4 . 1 1 47 47 GLN HA H 47 4.216 4.216 4.179 0.037 19946 1638 1 4 . 1 1 47 47 GLN CA C 47 56.852 56.852 58.060 -1.208 19946 1639 1 4 . 1 1 47 47 GLN CB C 47 29.119 29.119 29.430 -0.311 19946 1640 1 4 . 1 1 47 47 GLN H H 47 7.407 7.407 8.468 -1.061 19946 1641 1 4 . 1 1 48 48 SER N N 48 111.890 111.890 112.910 -1.020 19946 1642 1 4 . 1 1 48 48 SER HA H 48 4.641 4.641 4.453 0.188 19946 1643 1 4 . 1 1 48 48 SER CA C 48 57.956 57.956 58.669 -0.713 19946 1644 1 4 . 1 1 48 48 SER CB C 48 63.912 63.912 64.809 -0.897 19946 1645 1 4 . 1 1 48 48 SER H H 48 8.566 8.566 8.347 0.219 19946 1646 1 4 . 1 1 49 49 GLY N N 49 111.545 111.545 109.282 2.263 19946 1647 1 4 . 1 1 49 49 GLY CA C 49 43.894 43.894 44.370 -0.476 19946 1648 1 4 . 1 1 49 49 GLY H H 49 7.836 7.836 7.857 -0.021 19946 1649 1 4 . 1 1 50 50 LEU N N 50 121.541 121.541 124.458 -2.917 19946 1650 1 4 . 1 1 50 50 LEU HA H 50 4.239 4.239 4.399 -0.160 19946 1651 1 4 . 1 1 50 50 LEU CA C 50 51.985 51.985 53.990 -2.005 19946 1652 1 4 . 1 1 50 50 LEU CB C 50 42.648 42.648 40.857 1.791 19946 1653 1 4 . 1 1 50 50 LEU H H 50 8.564 8.564 8.586 -0.022 19946 1654 1 4 . 1 1 51 51 PRO HA H 51 4.243 4.243 4.520 -0.277 19946 1655 1 4 . 1 1 51 51 PRO CB C 51 31.639 31.639 32.419 -0.780 19946 1656 1 4 . 1 1 52 52 ALA N N 52 127.008 127.008 121.918 5.090 19946 1657 1 4 . 1 1 52 52 ALA HA H 52 3.790 3.790 4.475 -0.685 19946 1658 1 4 . 1 1 52 52 ALA CA C 52 54.835 54.835 52.947 1.888 19946 1659 1 4 . 1 1 52 52 ALA CB C 52 17.715 17.715 18.893 -1.178 19946 1660 1 4 . 1 1 52 52 ALA H H 52 8.564 8.564 8.660 -0.096 19946 1661 1 4 . 1 1 53 53 LYS N N 53 114.535 114.535 117.237 -2.702 19946 1662 1 4 . 1 1 53 53 LYS HA H 53 4.106 4.106 4.268 -0.162 19946 1663 1 4 . 1 1 53 53 LYS CA C 53 56.852 56.852 57.994 -1.142 19946 1664 1 4 . 1 1 53 53 LYS CB C 53 31.386 31.386 32.440 -1.054 19946 1665 1 4 . 1 1 53 53 LYS H H 53 8.364 8.364 8.058 0.306 19946 1666 1 4 . 1 1 54 54 LEU N N 54 118.515 118.515 117.962 0.553 19946 1667 1 4 . 1 1 54 54 LEU HA H 54 4.247 4.247 4.531 -0.284 19946 1668 1 4 . 1 1 54 54 LEU CA C 54 53.338 53.338 53.627 -0.289 19946 1669 1 4 . 1 1 54 54 LEU CB C 54 40.890 40.890 41.702 -0.812 19946 1670 1 4 . 1 1 54 54 LEU H H 54 7.745 7.745 7.533 0.212 19946 1671 1 4 . 1 1 55 55 ARG N N 55 117.612 117.612 120.558 -2.946 19946 1672 1 4 . 1 1 55 55 ARG HA H 55 3.927 3.927 4.449 -0.522 19946 1673 1 4 . 1 1 55 55 ARG CA C 55 56.832 56.832 56.102 0.730 19946 1674 1 4 . 1 1 55 55 ARG CB C 55 28.610 28.610 31.884 -3.274 19946 1675 1 4 . 1 1 55 55 ARG H H 55 6.938 6.938 7.817 -0.879 19946 1676 1 4 . 1 1 56 56 HIS N N 56 123.269 123.269 121.868 1.401 19946 1677 1 4 . 1 1 56 56 HIS HA H 56 4.614 4.614 4.552 0.062 19946 1678 1 4 . 1 1 56 56 HIS CA C 56 54.835 54.835 55.793 -0.958 19946 1679 1 4 . 1 1 56 56 HIS CB C 56 32.648 32.648 31.047 1.601 19946 1680 1 4 . 1 1 56 56 HIS H H 56 7.237 7.237 8.282 -1.045 19946 1681 1 4 . 1 1 57 57 GLU N N 57 120.895 120.895 118.342 2.553 19946 1682 1 4 . 1 1 57 57 GLU HA H 57 3.976 3.976 4.337 -0.361 19946 1683 1 4 . 1 1 57 57 GLU CA C 57 58.871 58.871 57.335 1.536 19946 1684 1 4 . 1 1 57 57 GLU CB C 57 29.158 29.158 30.982 -1.824 19946 1685 1 4 . 1 1 57 57 GLU H H 57 7.625 7.625 8.284 -0.659 19946 1686 1 4 . 1 1 58 58 GLN N N 58 118.485 118.485 116.893 1.592 19946 1687 1 4 . 1 1 58 58 GLN HA H 58 5.425 5.425 5.092 0.333 19946 1688 1 4 . 1 1 58 58 GLN CA C 58 54.910 54.910 54.954 -0.044 19946 1689 1 4 . 1 1 58 58 GLN CB C 58 32.285 32.285 30.457 1.827 19946 1690 1 4 . 1 1 58 58 GLN H H 58 8.335 8.335 8.047 0.288 19946 1691 1 4 . 1 1 59 59 ILE N N 59 123.505 123.505 119.764 3.741 19946 1692 1 4 . 1 1 59 59 ILE HA H 59 4.492 4.492 5.006 -0.514 19946 1693 1 4 . 1 1 59 59 ILE CA C 59 58.869 58.869 60.349 -1.480 19946 1694 1 4 . 1 1 59 59 ILE CB C 59 42.332 42.332 39.989 2.343 19946 1695 1 4 . 1 1 59 59 ILE H H 59 8.704 8.704 8.293 0.411 19946 1696 1 4 . 1 1 60 60 ILE N N 60 126.464 126.464 124.390 2.074 19946 1697 1 4 . 1 1 60 60 ILE HA H 60 4.954 4.954 4.434 0.520 19946 1698 1 4 . 1 1 60 60 ILE CA C 60 57.357 57.357 59.350 -1.993 19946 1699 1 4 . 1 1 60 60 ILE CB C 60 39.131 39.131 40.294 -1.163 19946 1700 1 4 . 1 1 60 60 ILE H H 60 9.006 9.006 8.518 0.488 19946 1701 1 4 . 1 1 61 61 PHE N N 61 124.441 124.441 126.247 -1.806 19946 1702 1 4 . 1 1 61 61 PHE HA H 61 5.795 5.795 5.078 0.717 19946 1703 1 4 . 1 1 61 61 PHE CA C 61 56.131 56.131 55.694 0.437 19946 1704 1 4 . 1 1 61 61 PHE CB C 61 42.879 42.879 40.931 1.948 19946 1705 1 4 . 1 1 61 61 PHE H H 61 8.938 8.938 7.379 1.559 19946 1706 1 4 . 1 1 62 62 HIS N N 62 117.494 117.494 116.253 1.241 19946 1707 1 4 . 1 1 62 62 HIS HA H 62 5.928 5.928 5.061 0.867 19946 1708 1 4 . 1 1 62 62 HIS CA C 62 53.322 53.322 55.053 -1.731 19946 1709 1 4 . 1 1 62 62 HIS CB C 62 35.673 35.673 34.496 1.177 19946 1710 1 4 . 1 1 62 62 HIS H H 62 9.230 9.230 8.356 0.874 19946 1711 1 4 . 1 1 63 63 CYS N N 63 120.220 120.220 119.922 0.298 19946 1712 1 4 . 1 1 63 63 CYS HA H 63 5.033 5.033 4.363 0.670 19946 1713 1 4 . 1 1 63 63 CYS CA C 63 56.131 56.131 62.562 -6.431 19946 1714 1 4 . 1 1 63 63 CYS CB C 63 28.109 28.109 29.092 -0.983 19946 1715 1 4 . 1 1 63 63 CYS H H 63 8.131 8.131 9.111 -0.980 19946 1716 1 4 . 1 1 65 65 ALA N N 65 119.272 119.272 121.932 -2.660 19946 1717 1 4 . 1 1 65 65 ALA HA H 65 5.063 5.063 4.319 0.744 19946 1718 1 4 . 1 1 65 65 ALA CA C 65 49.793 49.793 52.708 -2.915 19946 1719 1 4 . 1 1 65 65 ALA CB C 65 19.775 19.775 18.186 1.589 19946 1720 1 4 . 1 1 65 65 ALA H H 65 8.967 8.967 8.070 0.897 19946 1721 1 4 . 1 1 66 66 GLY N N 66 113.296 113.296 109.512 3.784 19946 1722 1 4 . 1 1 66 66 GLY CA C 66 44.934 44.934 45.463 -0.529 19946 1723 1 4 . 1 1 66 66 GLY H H 66 8.778 8.778 7.746 1.032 19946 1724 1 4 . 1 1 67 67 LYS N N 67 121.300 121.300 121.953 -0.653 19946 1725 1 4 . 1 1 67 67 LYS HA H 67 4.211 4.211 4.305 -0.094 19946 1726 1 4 . 1 1 67 67 LYS H H 67 8.111 8.111 8.383 -0.272 19946 1727 1 4 . 1 1 68 68 ARG N N 68 126.092 126.092 123.574 2.518 19946 1728 1 4 . 1 1 68 68 ARG H H 68 9.067 9.067 8.214 0.853 19946 1729 1 4 . 1 1 69 69 THR N N 69 117.153 117.153 114.626 2.527 19946 1730 1 4 . 1 1 69 69 THR HA H 69 3.576 3.576 4.546 -0.970 19946 1731 1 4 . 1 1 69 69 THR CA C 69 65.397 65.397 61.882 3.515 19946 1732 1 4 . 1 1 69 69 THR CB C 69 66.938 66.938 69.332 -2.394 19946 1733 1 4 . 1 1 69 69 THR H H 69 10.233 10.233 8.295 1.938 19946 1734 1 4 . 1 1 70 70 SER N N 70 113.686 113.686 117.081 -3.395 19946 1735 1 4 . 1 1 70 70 SER HA H 70 4.091 4.091 4.320 -0.229 19946 1736 1 4 . 1 1 70 70 SER CA C 70 61.391 61.391 60.922 0.469 19946 1737 1 4 . 1 1 70 70 SER CB C 70 65.425 65.425 63.322 2.103 19946 1738 1 4 . 1 1 70 70 SER H H 70 7.322 7.322 8.122 -0.800 19946 1739 1 4 . 1 1 71 71 ASN N N 71 118.257 118.257 116.845 1.412 19946 1740 1 4 . 1 1 71 71 ASN HA H 71 4.177 4.177 4.517 -0.340 19946 1741 1 4 . 1 1 71 71 ASN CA C 71 54.736 54.736 54.153 0.583 19946 1742 1 4 . 1 1 71 71 ASN CB C 71 38.391 38.391 37.563 0.828 19946 1743 1 4 . 1 1 71 71 ASN H H 71 7.863 7.863 8.423 -0.560 19946 1744 1 4 . 1 1 72 72 ASN N N 72 115.529 115.529 110.258 5.271 19946 1745 1 4 . 1 1 72 72 ASN HA H 72 5.127 5.127 4.372 0.755 19946 1746 1 4 . 1 1 72 72 ASN CA C 72 52.173 52.173 53.761 -1.588 19946 1747 1 4 . 1 1 72 72 ASN CB C 72 39.165 39.165 37.248 1.917 19946 1748 1 4 . 1 1 72 72 ASN H H 72 7.238 7.238 8.551 -1.313 19946 1749 1 4 . 1 1 73 73 ALA N N 73 125.388 125.388 122.247 3.141 19946 1750 1 4 . 1 1 73 73 ALA HA H 73 3.639 3.639 3.882 -0.243 19946 1751 1 4 . 1 1 73 73 ALA CA C 73 56.133 56.133 55.585 0.548 19946 1752 1 4 . 1 1 73 73 ALA CB C 73 18.528 18.528 18.854 -0.326 19946 1753 1 4 . 1 1 73 73 ALA H H 73 7.081 7.081 8.118 -1.037 19946 1754 1 4 . 1 1 74 74 ASP N N 74 115.501 115.501 118.279 -2.778 19946 1755 1 4 . 1 1 74 74 ASP HA H 74 4.135 4.135 4.298 -0.163 19946 1756 1 4 . 1 1 74 74 ASP CA C 74 55.891 55.891 57.568 -1.677 19946 1757 1 4 . 1 1 74 74 ASP CB C 74 38.699 38.699 40.543 -1.844 19946 1758 1 4 . 1 1 74 74 ASP H H 74 8.346 8.346 8.487 -0.141 19946 1759 1 4 . 1 1 75 75 LYS N N 75 122.469 122.469 119.786 2.683 19946 1760 1 4 . 1 1 75 75 LYS HA H 75 4.024 4.024 4.141 -0.117 19946 1761 1 4 . 1 1 75 75 LYS CA C 75 57.861 57.861 58.723 -0.862 19946 1762 1 4 . 1 1 75 75 LYS CB C 75 31.660 31.660 32.414 -0.754 19946 1763 1 4 . 1 1 75 75 LYS H H 75 7.583 7.583 7.820 -0.237 19946 1764 1 4 . 1 1 76 76 LEU N N 76 119.196 119.196 120.489 -1.293 19946 1765 1 4 . 1 1 76 76 LEU HA H 76 3.570 3.570 3.881 -0.311 19946 1766 1 4 . 1 1 76 76 LEU CA C 76 56.852 56.852 57.945 -1.093 19946 1767 1 4 . 1 1 76 76 LEU CB C 76 39.245 39.245 41.521 -2.276 19946 1768 1 4 . 1 1 76 76 LEU H H 76 8.069 8.069 7.847 0.222 19946 1769 1 4 . 1 1 77 77 ALA N N 77 120.302 120.302 121.958 -1.656 19946 1770 1 4 . 1 1 77 77 ALA HA H 77 3.985 3.985 3.940 0.045 19946 1771 1 4 . 1 1 77 77 ALA CA C 77 53.794 53.794 55.051 -1.257 19946 1772 1 4 . 1 1 77 77 ALA CB C 77 17.353 17.353 18.353 -1.000 19946 1773 1 4 . 1 1 77 77 ALA H H 77 8.063 8.063 8.714 -0.651 19946 1774 1 4 . 1 1 78 78 ALA N N 78 119.602 119.602 119.510 0.092 19946 1775 1 4 . 1 1 78 78 ALA HA H 78 4.138 4.138 4.110 0.028 19946 1776 1 4 . 1 1 78 78 ALA CA C 78 54.049 54.049 54.155 -0.106 19946 1777 1 4 . 1 1 78 78 ALA CB C 78 17.520 17.520 19.119 -1.599 19946 1778 1 4 . 1 1 78 78 ALA H H 78 7.274 7.274 7.320 -0.046 19946 1779 1 4 . 1 1 79 79 ILE N N 79 118.809 118.809 119.531 -0.722 19946 1780 1 4 . 1 1 79 79 ILE HA H 79 3.798 3.798 3.746 0.052 19946 1781 1 4 . 1 1 79 79 ILE CA C 79 63.354 63.354 64.180 -0.826 19946 1782 1 4 . 1 1 79 79 ILE CB C 79 38.422 38.422 38.669 -0.247 19946 1783 1 4 . 1 1 79 79 ILE H H 79 8.170 8.170 8.377 -0.207 19946 1784 1 4 . 1 1 80 80 ALA N N 80 118.736 118.736 118.328 0.408 19946 1785 1 4 . 1 1 80 80 ALA HA H 80 4.412 4.412 4.519 -0.107 19946 1786 1 4 . 1 1 80 80 ALA CA C 80 50.801 50.801 50.397 0.404 19946 1787 1 4 . 1 1 80 80 ALA CB C 80 19.537 19.537 18.512 1.025 19946 1788 1 4 . 1 1 80 80 ALA H H 80 7.857 7.857 8.080 -0.223 19946 1789 1 4 . 1 1 81 81 ALA N N 81 124.485 124.485 123.348 1.137 19946 1790 1 4 . 1 1 81 81 ALA HA H 81 4.353 4.353 5.140 -0.787 19946 1791 1 4 . 1 1 81 81 ALA CA C 81 51.305 51.305 49.466 1.839 19946 1792 1 4 . 1 1 81 81 ALA CB C 81 16.511 16.511 18.684 -2.173 19946 1793 1 4 . 1 1 81 81 ALA H H 81 7.191 7.191 7.213 -0.022 19946 1794 1 4 . 1 1 82 82 PRO CA C 82 62.903 62.903 62.952 -0.049 19946 1795 1 4 . 1 1 83 83 ALA N N 83 128.367 128.367 122.441 5.926 19946 1796 1 4 . 1 1 83 83 ALA HA H 83 4.058 4.058 4.124 -0.066 19946 1797 1 4 . 1 1 83 83 ALA CA C 83 52.314 52.314 52.747 -0.433 19946 1798 1 4 . 1 1 83 83 ALA CB C 83 19.001 19.001 19.631 -0.630 19946 1799 1 4 . 1 1 83 83 ALA H H 83 8.472 8.472 7.621 0.851 19946 1800 1 4 . 1 1 84 84 GLU N N 84 122.108 122.108 119.562 2.546 19946 1801 1 4 . 1 1 84 84 GLU HA H 84 4.164 4.164 4.662 -0.498 19946 1802 1 4 . 1 1 84 84 GLU CA C 84 55.937 55.937 56.014 -0.077 19946 1803 1 4 . 1 1 84 84 GLU CB C 84 30.213 30.213 32.131 -1.918 19946 1804 1 4 . 1 1 84 84 GLU H H 84 8.106 8.106 8.127 -0.021 19946 1805 1 4 . 1 1 85 85 ILE N N 85 122.808 122.808 119.157 3.651 19946 1806 1 4 . 1 1 85 85 ILE HA H 85 5.211 5.211 5.162 0.049 19946 1807 1 4 . 1 1 85 85 ILE CA C 85 58.365 58.365 59.182 -0.817 19946 1808 1 4 . 1 1 85 85 ILE CB C 85 39.707 39.707 41.584 -1.877 19946 1809 1 4 . 1 1 85 85 ILE H H 85 7.850 7.850 8.476 -0.626 19946 1810 1 4 . 1 1 86 86 PHE N N 86 122.937 122.937 117.771 5.166 19946 1811 1 4 . 1 1 86 86 PHE HA H 86 5.388 5.388 4.640 0.748 19946 1812 1 4 . 1 1 86 86 PHE CA C 86 54.509 54.509 57.289 -2.780 19946 1813 1 4 . 1 1 86 86 PHE CB C 86 42.878 42.878 43.508 -0.630 19946 1814 1 4 . 1 1 86 86 PHE H H 86 9.004 9.004 7.762 1.242 19946 1815 1 4 . 1 1 87 87 LEU N N 87 120.712 120.712 118.796 1.916 19946 1816 1 4 . 1 1 87 87 LEU HA H 87 5.295 5.295 4.746 0.549 19946 1817 1 4 . 1 1 87 87 LEU CA C 87 51.810 51.810 53.240 -1.430 19946 1818 1 4 . 1 1 87 87 LEU CB C 87 42.059 42.059 45.017 -2.958 19946 1819 1 4 . 1 1 87 87 LEU H H 87 8.785 8.785 8.099 0.686 19946 1820 1 4 . 1 1 88 88 LEU N N 88 124.779 124.779 120.869 3.910 19946 1821 1 4 . 1 1 88 88 LEU HA H 88 4.434 4.434 4.278 0.156 19946 1822 1 4 . 1 1 88 88 LEU CA C 88 54.331 54.331 52.804 1.527 19946 1823 1 4 . 1 1 88 88 LEU CB C 88 42.648 42.648 40.030 2.618 19946 1824 1 4 . 1 1 88 88 LEU H H 88 8.243 8.243 8.047 0.196 19946 1825 1 4 . 1 1 89 89 GLU N N 89 112.478 112.478 118.948 -6.470 19946 1826 1 4 . 1 1 89 89 GLU HA H 89 3.881 3.881 3.997 -0.116 19946 1827 1 4 . 1 1 89 89 GLU H H 89 9.343 9.343 8.509 0.834 19946 1828 1 4 . 1 1 90 90 ASP N N 90 120.709 120.709 120.242 0.467 19946 1829 1 4 . 1 1 90 90 ASP HA H 90 4.168 4.168 4.869 -0.701 19946 1830 1 4 . 1 1 90 90 ASP H H 90 9.062 9.062 8.376 0.686 19946 1831 1 4 . 1 1 91 91 GLY N N 91 105.049 105.049 112.836 -7.787 19946 1832 1 4 . 1 1 91 91 GLY CA C 91 46.263 46.263 44.636 1.627 19946 1833 1 4 . 1 1 91 91 GLY H H 91 7.848 7.848 7.655 0.193 19946 1834 1 4 . 1 1 92 92 ILE N N 92 122.127 122.127 121.040 1.087 19946 1835 1 4 . 1 1 92 92 ILE HA H 92 3.811 3.811 4.117 -0.306 19946 1836 1 4 . 1 1 92 92 ILE CA C 92 62.656 62.656 63.104 -0.448 19946 1837 1 4 . 1 1 92 92 ILE CB C 92 37.243 37.243 37.766 -0.523 19946 1838 1 4 . 1 1 92 92 ILE H H 92 8.077 8.077 7.591 0.486 19946 1839 1 4 . 1 1 93 93 ASP N N 93 127.038 127.038 121.581 5.457 19946 1840 1 4 . 1 1 93 93 ASP HA H 93 4.452 4.452 4.287 0.165 19946 1841 1 4 . 1 1 93 93 ASP CA C 93 57.357 57.357 57.874 -0.517 19946 1842 1 4 . 1 1 93 93 ASP CB C 93 38.194 38.194 39.853 -1.659 19946 1843 1 4 . 1 1 93 93 ASP H H 93 9.094 9.094 8.475 0.619 19946 1844 1 4 . 1 1 94 94 GLY N N 94 111.411 111.411 107.761 3.650 19946 1845 1 4 . 1 1 94 94 GLY CA C 94 44.750 44.750 46.597 -1.847 19946 1846 1 4 . 1 1 94 94 GLY H H 94 8.047 8.047 8.045 0.002 19946 1847 1 4 . 1 1 95 95 TRP N N 95 127.574 127.574 123.955 3.619 19946 1848 1 4 . 1 1 95 95 TRP HA H 95 3.738 3.738 4.345 -0.607 19946 1849 1 4 . 1 1 95 95 TRP CA C 95 60.852 60.852 58.881 1.971 19946 1850 1 4 . 1 1 95 95 TRP CB C 95 28.613 28.613 30.172 -1.559 19946 1851 1 4 . 1 1 95 95 TRP H H 95 7.918 7.918 8.526 -0.608 19946 1852 1 4 . 1 1 96 96 LYS N N 96 117.374 117.374 118.640 -1.266 19946 1853 1 4 . 1 1 96 96 LYS HA H 96 4.079 4.079 3.743 0.336 19946 1854 1 4 . 1 1 96 96 LYS CA C 96 59.091 59.091 58.556 0.534 19946 1855 1 4 . 1 1 96 96 LYS H H 96 8.625 8.625 8.274 0.351 19946 1856 1 4 . 1 1 97 97 LYS N N 97 123.490 123.490 119.985 3.505 19946 1857 1 4 . 1 1 97 97 LYS HA H 97 4.021 4.021 4.099 -0.078 19946 1858 1 4 . 1 1 97 97 LYS CB C 97 31.542 31.542 32.200 -0.658 19946 1859 1 4 . 1 1 97 97 LYS H H 97 8.233 8.233 8.413 -0.180 19946 1860 1 4 . 1 1 98 98 ALA N N 98 120.321 120.321 119.687 0.634 19946 1861 1 4 . 1 1 98 98 ALA HA H 98 4.248 4.248 4.450 -0.202 19946 1862 1 4 . 1 1 98 98 ALA CA C 98 51.305 51.305 50.991 0.314 19946 1863 1 4 . 1 1 98 98 ALA CB C 98 17.744 17.744 19.342 -1.598 19946 1864 1 4 . 1 1 98 98 ALA H H 98 7.480 7.480 7.552 -0.072 19946 1865 1 4 . 1 1 99 99 GLY N N 99 106.984 106.984 108.230 -1.246 19946 1866 1 4 . 1 1 99 99 GLY CA C 99 44.246 44.246 45.705 -1.459 19946 1867 1 4 . 1 1 99 99 GLY H H 99 7.867 7.867 8.066 -0.199 19946 1868 1 4 . 1 1 100 100 LEU N N 100 122.993 122.993 119.884 3.109 19946 1869 1 4 . 1 1 100 100 LEU HA H 100 4.277 4.277 4.352 -0.075 19946 1870 1 4 . 1 1 100 100 LEU CA C 100 52.314 52.314 50.840 1.474 19946 1871 1 4 . 1 1 100 100 LEU CB C 100 36.786 36.786 42.840 -6.054 19946 1872 1 4 . 1 1 100 100 LEU H H 100 6.958 6.958 7.137 -0.179 19946 1873 1 4 . 1 1 101 101 PRO HA H 101 4.492 4.492 4.506 -0.014 19946 1874 1 4 . 1 1 101 101 PRO CB C 101 32.097 32.097 31.723 0.374 19946 1875 1 4 . 1 1 102 102 VAL N N 102 111.514 111.514 116.306 -4.792 19946 1876 1 4 . 1 1 102 102 VAL HA H 102 4.367 4.367 4.442 -0.075 19946 1877 1 4 . 1 1 102 102 VAL CA C 102 58.869 58.869 59.831 -0.962 19946 1878 1 4 . 1 1 102 102 VAL CB C 102 35.351 35.351 32.180 3.171 19946 1879 1 4 . 1 1 102 102 VAL H H 102 7.988 7.988 8.255 -0.267 19946 1880 1 4 . 1 1 103 103 ALA N N 103 126.676 126.676 123.819 2.857 19946 1881 1 4 . 1 1 103 103 ALA HA H 103 4.524 4.524 4.500 0.024 19946 1882 1 4 . 1 1 103 103 ALA CA C 103 49.793 49.793 52.034 -2.241 19946 1883 1 4 . 1 1 103 103 ALA CB C 103 18.600 18.600 18.224 0.376 19946 1884 1 4 . 1 1 103 103 ALA H H 103 8.919 8.919 8.439 0.480 19946 1885 1 4 . 1 1 104 104 VAL N N 104 121.148 121.148 124.120 -2.972 19946 1886 1 4 . 1 1 104 104 VAL HA H 104 4.475 4.475 4.269 0.206 19946 1887 1 4 . 1 1 104 104 VAL CA C 104 59.374 59.374 59.825 -0.451 19946 1888 1 4 . 1 1 104 104 VAL CB C 104 33.884 33.884 33.317 0.567 19946 1889 1 4 . 1 1 104 104 VAL H H 104 8.241 8.241 7.866 0.375 19946 1890 1 4 . 1 1 105 105 ASN N N 105 123.816 123.816 121.197 2.619 19946 1891 1 4 . 1 1 105 105 ASN HA H 105 4.674 4.674 4.636 0.038 19946 1892 1 4 . 1 1 105 105 ASN CA C 105 53.200 53.200 53.454 -0.254 19946 1893 1 4 . 1 1 105 105 ASN CB C 105 37.959 37.959 38.002 -0.043 19946 1894 1 4 . 1 1 105 105 ASN H H 105 8.150 8.150 8.455 -0.305 19946 1895 1 4 . 1 1 106 106 LYS N N 106 123.804 123.804 123.482 0.322 19946 1896 1 4 . 1 1 106 106 LYS H H 106 8.340 8.340 8.389 -0.049 19946 1897 1 5 . 1 1 2 2 LEU N N 2 120.763 120.763 124.031 -3.268 19946 1898 1 5 . 1 1 2 2 LEU HA H 2 4.384 4.384 5.092 -0.708 19946 1899 1 5 . 1 1 2 2 LEU CA C 2 53.827 53.827 54.639 -0.812 19946 1900 1 5 . 1 1 2 2 LEU CB C 2 42.229 42.229 41.677 0.552 19946 1901 1 5 . 1 1 2 2 LEU H H 2 7.888 7.888 8.332 -0.444 19946 1902 1 5 . 1 1 3 3 THR N N 3 118.330 118.330 122.895 -4.565 19946 1903 1 5 . 1 1 3 3 THR HA H 3 4.469 4.469 4.818 -0.349 19946 1904 1 5 . 1 1 3 3 THR CA C 3 61.391 61.391 60.883 0.508 19946 1905 1 5 . 1 1 3 3 THR CB C 3 69.496 69.496 71.389 -1.893 19946 1906 1 5 . 1 1 3 3 THR H H 3 7.905 7.905 8.553 -0.648 19946 1907 1 5 . 1 1 4 4 THR N N 4 122.024 122.024 116.379 5.645 19946 1908 1 5 . 1 1 4 4 THR HA H 4 5.171 5.171 5.006 0.165 19946 1909 1 5 . 1 1 4 4 THR CA C 4 61.595 61.595 60.896 0.699 19946 1910 1 5 . 1 1 4 4 THR CB C 4 69.027 69.027 69.910 -0.883 19946 1911 1 5 . 1 1 4 4 THR H H 4 8.504 8.504 8.433 0.071 19946 1912 1 5 . 1 1 5 5 ILE N N 5 122.667 122.667 121.698 0.969 19946 1913 1 5 . 1 1 5 5 ILE HA H 5 4.973 4.973 4.760 0.213 19946 1914 1 5 . 1 1 5 5 ILE CA C 5 57.971 57.971 59.086 -1.115 19946 1915 1 5 . 1 1 5 5 ILE CB C 5 41.458 41.458 40.965 0.493 19946 1916 1 5 . 1 1 5 5 ILE H H 5 8.903 8.903 8.191 0.712 19946 1917 1 5 . 1 1 6 6 SER N N 6 123.156 123.156 115.727 7.429 19946 1918 1 5 . 1 1 6 6 SER HA H 6 4.785 4.785 4.835 -0.050 19946 1919 1 5 . 1 1 6 6 SER H H 6 9.138 9.138 8.410 0.728 19946 1920 1 5 . 1 1 7 7 PRO HA H 7 4.004 4.004 4.518 -0.514 19946 1921 1 5 . 1 1 7 7 PRO CA C 7 65.510 65.510 65.368 0.142 19946 1922 1 5 . 1 1 7 7 PRO CB C 7 30.924 30.924 32.164 -1.240 19946 1923 1 5 . 1 1 8 8 HIS N N 8 114.319 114.319 117.457 -3.138 19946 1924 1 5 . 1 1 8 8 HIS HA H 8 3.989 3.989 4.320 -0.331 19946 1925 1 5 . 1 1 8 8 HIS CA C 8 60.050 60.050 59.001 1.049 19946 1926 1 5 . 1 1 8 8 HIS CB C 8 28.613 28.613 29.485 -0.872 19946 1927 1 5 . 1 1 8 8 HIS H H 8 8.127 8.127 8.645 -0.518 19946 1928 1 5 . 1 1 9 9 ASP N N 9 121.300 121.300 118.245 3.055 19946 1929 1 5 . 1 1 9 9 ASP HA H 9 4.301 4.301 4.518 -0.217 19946 1930 1 5 . 1 1 9 9 ASP CA C 9 56.455 56.455 56.990 -0.535 19946 1931 1 5 . 1 1 9 9 ASP CB C 9 38.699 38.699 40.299 -1.600 19946 1932 1 5 . 1 1 9 9 ASP H H 9 7.639 7.639 8.458 -0.819 19946 1933 1 5 . 1 1 10 10 ALA N N 10 123.991 123.991 123.362 0.629 19946 1934 1 5 . 1 1 10 10 ALA HA H 10 3.719 3.719 4.071 -0.352 19946 1935 1 5 . 1 1 10 10 ALA CA C 10 54.331 54.331 54.792 -0.461 19946 1936 1 5 . 1 1 10 10 ALA CB C 10 17.549 17.549 18.323 -0.774 19946 1937 1 5 . 1 1 10 10 ALA H H 10 8.820 8.820 8.126 0.694 19946 1938 1 5 . 1 1 11 11 GLN N N 11 118.128 118.128 117.038 1.090 19946 1939 1 5 . 1 1 11 11 GLN HA H 11 3.933 3.933 4.130 -0.197 19946 1940 1 5 . 1 1 11 11 GLN CA C 11 59.389 59.389 58.017 1.372 19946 1941 1 5 . 1 1 11 11 GLN CB C 11 27.948 27.948 28.581 -0.633 19946 1942 1 5 . 1 1 11 11 GLN H H 11 8.353 8.353 8.532 -0.179 19946 1943 1 5 . 1 1 12 12 GLU N N 12 119.307 119.307 119.058 0.249 19946 1944 1 5 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.294 -0.271 19946 1945 1 5 . 1 1 12 12 GLU CA C 12 58.476 58.476 57.932 0.544 19946 1946 1 5 . 1 1 12 12 GLU CB C 12 28.532 28.532 29.844 -1.312 19946 1947 1 5 . 1 1 12 12 GLU H H 12 7.197 7.197 8.315 -1.118 19946 1948 1 5 . 1 1 13 13 LEU N N 13 120.635 120.635 118.859 1.776 19946 1949 1 5 . 1 1 13 13 LEU HA H 13 3.821 3.821 4.206 -0.385 19946 1950 1 5 . 1 1 13 13 LEU CA C 13 57.065 57.065 57.477 -0.412 19946 1951 1 5 . 1 1 13 13 LEU CB C 13 40.890 40.890 42.257 -1.367 19946 1952 1 5 . 1 1 13 13 LEU H H 13 7.554 7.554 7.241 0.313 19946 1953 1 5 . 1 1 14 14 ILE N N 14 123.021 123.021 118.907 4.114 19946 1954 1 5 . 1 1 14 14 ILE HA H 14 3.827 3.827 3.910 -0.083 19946 1955 1 5 . 1 1 14 14 ILE CA C 14 64.053 64.053 64.990 -0.937 19946 1956 1 5 . 1 1 14 14 ILE CB C 14 38.115 38.115 37.781 0.334 19946 1957 1 5 . 1 1 14 14 ILE H H 14 8.710 8.710 7.979 0.731 19946 1958 1 5 . 1 1 15 15 ALA N N 15 124.504 124.504 119.552 4.952 19946 1959 1 5 . 1 1 15 15 ALA HA H 15 4.115 4.115 4.184 -0.069 19946 1960 1 5 . 1 1 15 15 ALA CA C 15 54.257 54.257 53.670 0.587 19946 1961 1 5 . 1 1 15 15 ALA CB C 15 17.040 17.040 18.404 -1.364 19946 1962 1 5 . 1 1 15 15 ALA H H 15 7.758 7.758 7.794 -0.036 19946 1963 1 5 . 1 1 16 16 ARG N N 16 115.990 115.990 116.882 -0.892 19946 1964 1 5 . 1 1 16 16 ARG HA H 16 4.348 4.348 4.407 -0.059 19946 1965 1 5 . 1 1 16 16 ARG CA C 16 55.416 55.416 56.710 -1.294 19946 1966 1 5 . 1 1 16 16 ARG CB C 16 29.762 29.762 31.332 -1.571 19946 1967 1 5 . 1 1 16 16 ARG H H 16 7.252 7.252 8.100 -0.848 19946 1968 1 5 . 1 1 17 17 GLY N N 17 107.981 107.981 105.683 2.298 19946 1969 1 5 . 1 1 17 17 GLY CA C 17 44.854 44.854 44.873 -0.019 19946 1970 1 5 . 1 1 17 17 GLY H H 17 7.748 7.748 7.498 0.250 19946 1971 1 5 . 1 1 18 18 ALA N N 18 123.914 123.914 125.558 -1.644 19946 1972 1 5 . 1 1 18 18 ALA HA H 18 4.221 4.221 4.290 -0.069 19946 1973 1 5 . 1 1 18 18 ALA CA C 18 52.270 52.270 53.019 -0.749 19946 1974 1 5 . 1 1 18 18 ALA CB C 18 18.638 18.638 19.547 -0.909 19946 1975 1 5 . 1 1 18 18 ALA H H 18 7.940 7.940 7.837 0.103 19946 1976 1 5 . 1 1 19 19 LYS N N 19 119.436 119.436 122.177 -2.741 19946 1977 1 5 . 1 1 19 19 LYS HA H 19 4.301 4.301 4.352 -0.051 19946 1978 1 5 . 1 1 19 19 LYS CA C 19 53.105 53.105 55.357 -2.252 19946 1979 1 5 . 1 1 19 19 LYS CB C 19 32.856 32.856 34.501 -1.645 19946 1980 1 5 . 1 1 19 19 LYS H H 19 7.565 7.565 8.516 -0.951 19946 1981 1 5 . 1 1 20 20 LEU N N 20 127.401 127.401 121.964 5.437 19946 1982 1 5 . 1 1 20 20 LEU HA H 20 5.042 5.042 4.476 0.566 19946 1983 1 5 . 1 1 20 20 LEU CA C 20 52.314 52.314 54.123 -1.809 19946 1984 1 5 . 1 1 20 20 LEU CB C 20 43.234 43.234 44.460 -1.226 19946 1985 1 5 . 1 1 20 20 LEU H H 20 8.727 8.727 8.217 0.510 19946 1986 1 5 . 1 1 21 21 ILE N N 21 128.186 128.186 126.499 1.687 19946 1987 1 5 . 1 1 21 21 ILE HA H 21 4.547 4.547 4.269 0.278 19946 1988 1 5 . 1 1 21 21 ILE CA C 21 59.589 59.589 59.985 -0.396 19946 1989 1 5 . 1 1 21 21 ILE CB C 21 38.545 38.545 41.492 -2.947 19946 1990 1 5 . 1 1 21 21 ILE H H 21 9.366 9.366 7.832 1.534 19946 1991 1 5 . 1 1 22 22 ASP N N 22 129.968 129.968 123.734 6.234 19946 1992 1 5 . 1 1 22 22 ASP HA H 22 3.803 3.803 5.029 -1.226 19946 1993 1 5 . 1 1 22 22 ASP CA C 22 51.435 51.435 53.112 -1.677 19946 1994 1 5 . 1 1 22 22 ASP CB C 22 42.062 42.062 43.488 -1.426 19946 1995 1 5 . 1 1 22 22 ASP H H 22 8.583 8.583 8.223 0.360 19946 1996 1 5 . 1 1 23 23 ILE N N 23 116.266 116.266 121.613 -5.347 19946 1997 1 5 . 1 1 23 23 ILE HA H 23 5.229 5.229 4.391 0.838 19946 1998 1 5 . 1 1 23 23 ILE CA C 23 59.374 59.374 60.240 -0.866 19946 1999 1 5 . 1 1 23 23 ILE CB C 23 37.327 37.327 36.302 1.025 19946 2000 1 5 . 1 1 23 23 ILE H H 23 7.836 7.836 7.637 0.199 19946 2001 1 5 . 1 1 24 24 ARG N N 24 125.001 125.001 120.414 4.587 19946 2002 1 5 . 1 1 24 24 ARG HA H 24 4.116 4.116 4.382 -0.266 19946 2003 1 5 . 1 1 24 24 ARG CA C 24 55.943 55.943 54.499 1.444 19946 2004 1 5 . 1 1 24 24 ARG CB C 24 30.135 30.135 30.891 -0.756 19946 2005 1 5 . 1 1 24 24 ARG H H 24 8.195 8.195 7.207 0.988 19946 2006 1 5 . 1 1 25 25 ASP N N 25 112.839 112.839 119.069 -6.230 19946 2007 1 5 . 1 1 25 25 ASP HA H 25 4.545 4.545 4.578 -0.033 19946 2008 1 5 . 1 1 25 25 ASP CA C 25 53.870 53.870 54.894 -1.024 19946 2009 1 5 . 1 1 25 25 ASP CB C 25 41.327 41.327 41.850 -0.523 19946 2010 1 5 . 1 1 25 25 ASP H H 25 7.660 7.660 8.522 -0.862 19946 2011 1 5 . 1 1 26 26 ALA N N 26 122.145 122.145 121.143 1.002 19946 2012 1 5 . 1 1 26 26 ALA HA H 26 3.897 3.897 4.262 -0.365 19946 2013 1 5 . 1 1 26 26 ALA CA C 26 54.958 54.958 53.421 1.537 19946 2014 1 5 . 1 1 26 26 ALA CB C 26 17.520 17.520 20.137 -2.617 19946 2015 1 5 . 1 1 26 26 ALA H H 26 8.766 8.766 8.171 0.595 19946 2016 1 5 . 1 1 27 27 ASP N N 27 115.380 115.380 119.193 -3.813 19946 2017 1 5 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.386 -0.087 19946 2018 1 5 . 1 1 27 27 ASP CA C 27 56.451 56.451 56.471 -0.020 19946 2019 1 5 . 1 1 27 27 ASP CB C 27 39.156 39.156 40.527 -1.371 19946 2020 1 5 . 1 1 27 27 ASP H H 27 8.686 8.686 8.662 0.024 19946 2021 1 5 . 1 1 28 28 GLU N N 28 120.081 120.081 119.363 0.718 19946 2022 1 5 . 1 1 28 28 GLU HA H 28 4.086 4.086 4.077 0.009 19946 2023 1 5 . 1 1 28 28 GLU CA C 28 58.389 58.389 58.892 -0.503 19946 2024 1 5 . 1 1 28 28 GLU CB C 28 28.728 28.728 29.706 -0.977 19946 2025 1 5 . 1 1 28 28 GLU H H 28 7.397 7.397 8.816 -1.419 19946 2026 1 5 . 1 1 29 29 TYR N N 29 121.205 121.205 118.135 3.070 19946 2027 1 5 . 1 1 29 29 TYR HA H 29 4.083 4.083 4.669 -0.586 19946 2028 1 5 . 1 1 29 29 TYR CA C 29 60.378 60.378 57.685 2.693 19946 2029 1 5 . 1 1 29 29 TYR CB C 29 38.699 38.699 39.682 -0.983 19946 2030 1 5 . 1 1 29 29 TYR H H 29 7.506 7.506 7.609 -0.103 19946 2031 1 5 . 1 1 30 30 LEU N N 30 118.828 118.828 123.023 -4.195 19946 2032 1 5 . 1 1 30 30 LEU HA H 30 3.850 3.850 4.050 -0.200 19946 2033 1 5 . 1 1 30 30 LEU CA C 30 56.348 56.348 57.499 -1.151 19946 2034 1 5 . 1 1 30 30 LEU CB C 30 41.220 41.220 41.647 -0.426 19946 2035 1 5 . 1 1 30 30 LEU H H 30 8.211 8.211 7.682 0.529 19946 2036 1 5 . 1 1 31 31 ARG N N 31 118.220 118.220 117.782 0.438 19946 2037 1 5 . 1 1 31 31 ARG HA H 31 4.101 4.101 4.031 0.070 19946 2038 1 5 . 1 1 31 31 ARG CA C 31 58.365 58.365 58.684 -0.319 19946 2039 1 5 . 1 1 31 31 ARG CB C 31 30.074 30.074 30.197 -0.123 19946 2040 1 5 . 1 1 31 31 ARG H H 31 7.120 7.120 8.352 -1.232 19946 2041 1 5 . 1 1 32 32 GLU N N 32 117.980 117.980 116.531 1.449 19946 2042 1 5 . 1 1 32 32 GLU HA H 32 4.884 4.884 4.641 0.243 19946 2043 1 5 . 1 1 32 32 GLU CA C 32 55.339 55.339 55.625 -0.286 19946 2044 1 5 . 1 1 32 32 GLU CB C 32 31.698 31.698 30.831 0.867 19946 2045 1 5 . 1 1 32 32 GLU H H 32 7.506 7.506 8.320 -0.814 19946 2046 1 5 . 1 1 33 33 HIS N N 33 118.257 118.257 120.991 -2.734 19946 2047 1 5 . 1 1 33 33 HIS HA H 33 4.643 4.643 4.588 0.055 19946 2048 1 5 . 1 1 33 33 HIS CA C 33 53.766 53.766 55.589 -1.823 19946 2049 1 5 . 1 1 33 33 HIS CB C 33 29.940 29.940 31.452 -1.512 19946 2050 1 5 . 1 1 33 33 HIS H H 33 8.269 8.269 8.642 -0.373 19946 2051 1 5 . 1 1 34 34 ILE N N 34 127.809 127.809 117.387 10.422 19946 2052 1 5 . 1 1 34 34 ILE HA H 34 3.920 3.920 3.814 0.106 19946 2053 1 5 . 1 1 34 34 ILE CA C 34 59.648 59.648 61.711 -2.063 19946 2054 1 5 . 1 1 34 34 ILE CB C 34 37.959 37.959 38.954 -0.995 19946 2055 1 5 . 1 1 34 34 ILE H H 34 9.989 9.989 7.835 2.154 19946 2056 1 5 . 1 1 35 35 PRO HA H 35 4.198 4.198 4.289 -0.091 19946 2057 1 5 . 1 1 36 36 GLU N N 36 114.414 114.414 122.225 -7.811 19946 2058 1 5 . 1 1 36 36 GLU HA H 36 4.082 4.082 3.910 0.172 19946 2059 1 5 . 1 1 36 36 GLU CA C 36 57.861 57.861 56.983 0.878 19946 2060 1 5 . 1 1 36 36 GLU CB C 36 28.109 28.109 29.088 -0.979 19946 2061 1 5 . 1 1 36 36 GLU H H 36 8.557 8.557 8.301 0.256 19946 2062 1 5 . 1 1 37 37 ALA N N 37 122.882 122.882 126.593 -3.711 19946 2063 1 5 . 1 1 37 37 ALA HA H 37 4.439 4.439 4.816 -0.377 19946 2064 1 5 . 1 1 37 37 ALA CA C 37 52.005 52.005 50.964 1.041 19946 2065 1 5 . 1 1 37 37 ALA CB C 37 20.438 20.438 22.076 -1.638 19946 2066 1 5 . 1 1 37 37 ALA H H 37 8.096 8.096 8.271 -0.175 19946 2067 1 5 . 1 1 38 38 ASP N N 38 124.471 124.471 118.578 5.893 19946 2068 1 5 . 1 1 38 38 ASP HA H 38 4.844 4.844 4.653 0.191 19946 2069 1 5 . 1 1 38 38 ASP CA C 38 52.614 52.614 53.964 -1.350 19946 2070 1 5 . 1 1 38 38 ASP CB C 38 44.407 44.407 43.502 0.905 19946 2071 1 5 . 1 1 38 38 ASP H H 38 9.004 9.004 8.397 0.607 19946 2072 1 5 . 1 1 39 39 LEU N N 39 123.936 123.936 124.858 -0.922 19946 2073 1 5 . 1 1 39 39 LEU HA H 39 4.328 4.328 3.924 0.404 19946 2074 1 5 . 1 1 39 39 LEU CA C 39 54.037 54.037 56.177 -2.140 19946 2075 1 5 . 1 1 39 39 LEU CB C 39 41.220 41.220 41.580 -0.359 19946 2076 1 5 . 1 1 39 39 LEU H H 39 8.125 8.125 8.516 -0.391 19946 2077 1 5 . 1 1 40 40 ALA N N 40 131.297 131.297 127.585 3.712 19946 2078 1 5 . 1 1 40 40 ALA HA H 40 4.408 4.408 4.519 -0.111 19946 2079 1 5 . 1 1 40 40 ALA CA C 40 48.784 48.784 50.694 -1.910 19946 2080 1 5 . 1 1 40 40 ALA CB C 40 17.979 17.979 19.771 -1.792 19946 2081 1 5 . 1 1 40 40 ALA H H 40 8.654 8.654 7.943 0.711 19946 2082 1 5 . 1 1 41 41 PRO HA H 41 4.101 4.101 4.717 -0.616 19946 2083 1 5 . 1 1 41 41 PRO CA C 41 61.391 61.391 62.472 -1.081 19946 2084 1 5 . 1 1 41 41 PRO CB C 41 32.097 32.097 32.371 -0.274 19946 2085 1 5 . 1 1 42 42 LEU N N 42 125.312 125.312 121.274 4.038 19946 2086 1 5 . 1 1 42 42 LEU HA H 42 3.871 3.871 3.852 0.019 19946 2087 1 5 . 1 1 42 42 LEU CA C 42 57.861 57.861 58.801 -0.940 19946 2088 1 5 . 1 1 42 42 LEU CB C 42 40.941 40.941 40.752 0.189 19946 2089 1 5 . 1 1 42 42 LEU H H 42 8.285 8.285 8.463 -0.178 19946 2090 1 5 . 1 1 43 43 SER N N 43 110.669 110.669 114.260 -3.591 19946 2091 1 5 . 1 1 43 43 SER HA H 43 4.106 4.106 4.103 0.003 19946 2092 1 5 . 1 1 43 43 SER CA C 43 60.497 60.497 62.019 -1.522 19946 2093 1 5 . 1 1 43 43 SER CB C 43 61.391 61.391 62.373 -0.982 19946 2094 1 5 . 1 1 43 43 SER H H 43 8.453 8.453 8.309 0.144 19946 2095 1 5 . 1 1 44 44 VAL N N 44 123.933 123.933 121.803 2.130 19946 2096 1 5 . 1 1 44 44 VAL HA H 44 3.821 3.821 3.782 0.039 19946 2097 1 5 . 1 1 44 44 VAL CA C 44 64.752 64.752 65.952 -1.200 19946 2098 1 5 . 1 1 44 44 VAL CB C 44 31.135 31.135 31.598 -0.463 19946 2099 1 5 . 1 1 44 44 VAL H H 44 7.156 7.156 7.753 -0.597 19946 2100 1 5 . 1 1 45 45 LEU N N 45 121.150 121.150 119.751 1.399 19946 2101 1 5 . 1 1 45 45 LEU HA H 45 3.767 3.767 3.962 -0.195 19946 2102 1 5 . 1 1 45 45 LEU CA C 45 56.599 56.599 57.991 -1.392 19946 2103 1 5 . 1 1 45 45 LEU CB C 45 40.890 40.890 41.407 -0.517 19946 2104 1 5 . 1 1 45 45 LEU H H 45 7.997 7.997 8.947 -0.950 19946 2105 1 5 . 1 1 46 46 GLU N N 46 116.256 116.256 118.298 -2.042 19946 2106 1 5 . 1 1 46 46 GLU HA H 46 3.678 3.678 4.130 -0.452 19946 2107 1 5 . 1 1 46 46 GLU CA C 46 58.365 58.365 58.305 0.060 19946 2108 1 5 . 1 1 46 46 GLU CB C 46 29.622 29.622 30.115 -0.493 19946 2109 1 5 . 1 1 46 46 GLU H H 46 8.501 8.501 8.234 0.267 19946 2110 1 5 . 1 1 47 47 GLN N N 47 117.261 117.261 117.409 -0.148 19946 2111 1 5 . 1 1 47 47 GLN HA H 47 4.216 4.216 4.126 0.090 19946 2112 1 5 . 1 1 47 47 GLN CA C 47 56.852 56.852 58.218 -1.366 19946 2113 1 5 . 1 1 47 47 GLN CB C 47 29.119 29.119 29.097 0.022 19946 2114 1 5 . 1 1 47 47 GLN H H 47 7.407 7.407 8.394 -0.987 19946 2115 1 5 . 1 1 48 48 SER N N 48 111.890 111.890 112.239 -0.349 19946 2116 1 5 . 1 1 48 48 SER HA H 48 4.641 4.641 4.534 0.107 19946 2117 1 5 . 1 1 48 48 SER CA C 48 57.956 57.956 57.995 -0.039 19946 2118 1 5 . 1 1 48 48 SER CB C 48 63.912 63.912 65.003 -1.091 19946 2119 1 5 . 1 1 48 48 SER H H 48 8.566 8.566 8.378 0.188 19946 2120 1 5 . 1 1 49 49 GLY N N 49 111.545 111.545 109.725 1.820 19946 2121 1 5 . 1 1 49 49 GLY CA C 49 43.894 43.894 44.552 -0.658 19946 2122 1 5 . 1 1 49 49 GLY H H 49 7.836 7.836 7.385 0.451 19946 2123 1 5 . 1 1 50 50 LEU N N 50 121.541 121.541 122.738 -1.197 19946 2124 1 5 . 1 1 50 50 LEU HA H 50 4.239 4.239 4.238 0.001 19946 2125 1 5 . 1 1 50 50 LEU CA C 50 51.985 51.985 54.471 -2.486 19946 2126 1 5 . 1 1 50 50 LEU CB C 50 42.648 42.648 42.013 0.635 19946 2127 1 5 . 1 1 50 50 LEU H H 50 8.564 8.564 8.392 0.172 19946 2128 1 5 . 1 1 51 51 PRO HA H 51 4.243 4.243 4.528 -0.285 19946 2129 1 5 . 1 1 51 51 PRO CB C 51 31.639 31.639 32.789 -1.150 19946 2130 1 5 . 1 1 52 52 ALA N N 52 127.008 127.008 126.971 0.037 19946 2131 1 5 . 1 1 52 52 ALA HA H 52 3.790 3.790 4.092 -0.302 19946 2132 1 5 . 1 1 52 52 ALA CA C 52 54.835 54.835 54.934 -0.099 19946 2133 1 5 . 1 1 52 52 ALA CB C 52 17.715 17.715 18.600 -0.885 19946 2134 1 5 . 1 1 52 52 ALA H H 52 8.564 8.564 8.584 -0.020 19946 2135 1 5 . 1 1 53 53 LYS N N 53 114.535 114.535 115.543 -1.008 19946 2136 1 5 . 1 1 53 53 LYS HA H 53 4.106 4.106 4.060 0.046 19946 2137 1 5 . 1 1 53 53 LYS CA C 53 56.852 56.852 58.380 -1.528 19946 2138 1 5 . 1 1 53 53 LYS CB C 53 31.386 31.386 31.781 -0.395 19946 2139 1 5 . 1 1 53 53 LYS H H 53 8.364 8.364 8.474 -0.110 19946 2140 1 5 . 1 1 54 54 LEU N N 54 118.515 118.515 117.073 1.442 19946 2141 1 5 . 1 1 54 54 LEU HA H 54 4.247 4.247 4.441 -0.194 19946 2142 1 5 . 1 1 54 54 LEU CA C 54 53.338 53.338 53.800 -0.462 19946 2143 1 5 . 1 1 54 54 LEU CB C 54 40.890 40.890 41.812 -0.922 19946 2144 1 5 . 1 1 54 54 LEU H H 54 7.745 7.745 7.099 0.646 19946 2145 1 5 . 1 1 55 55 ARG N N 55 117.612 117.612 121.238 -3.626 19946 2146 1 5 . 1 1 55 55 ARG HA H 55 3.927 3.927 4.628 -0.701 19946 2147 1 5 . 1 1 55 55 ARG CA C 55 56.832 56.832 55.564 1.268 19946 2148 1 5 . 1 1 55 55 ARG CB C 55 28.610 28.610 32.040 -3.430 19946 2149 1 5 . 1 1 55 55 ARG H H 55 6.938 6.938 8.182 -1.244 19946 2150 1 5 . 1 1 56 56 HIS N N 56 123.269 123.269 123.778 -0.509 19946 2151 1 5 . 1 1 56 56 HIS HA H 56 4.614 4.614 4.690 -0.076 19946 2152 1 5 . 1 1 56 56 HIS CA C 56 54.835 54.835 55.725 -0.890 19946 2153 1 5 . 1 1 56 56 HIS CB C 56 32.648 32.648 31.727 0.921 19946 2154 1 5 . 1 1 56 56 HIS H H 56 7.237 7.237 8.539 -1.302 19946 2155 1 5 . 1 1 57 57 GLU N N 57 120.895 120.895 118.524 2.371 19946 2156 1 5 . 1 1 57 57 GLU HA H 57 3.976 3.976 4.259 -0.283 19946 2157 1 5 . 1 1 57 57 GLU CA C 57 58.871 58.871 57.969 0.902 19946 2158 1 5 . 1 1 57 57 GLU CB C 57 29.158 29.158 30.724 -1.566 19946 2159 1 5 . 1 1 57 57 GLU H H 57 7.625 7.625 8.283 -0.658 19946 2160 1 5 . 1 1 58 58 GLN N N 58 118.485 118.485 116.388 2.097 19946 2161 1 5 . 1 1 58 58 GLN HA H 58 5.425 5.425 4.927 0.498 19946 2162 1 5 . 1 1 58 58 GLN CA C 58 54.910 54.910 54.819 0.091 19946 2163 1 5 . 1 1 58 58 GLN CB C 58 32.285 32.285 31.187 1.098 19946 2164 1 5 . 1 1 58 58 GLN H H 58 8.335 8.335 8.104 0.231 19946 2165 1 5 . 1 1 59 59 ILE N N 59 123.505 123.505 118.704 4.801 19946 2166 1 5 . 1 1 59 59 ILE HA H 59 4.492 4.492 4.567 -0.075 19946 2167 1 5 . 1 1 59 59 ILE CA C 59 58.869 58.869 59.355 -0.486 19946 2168 1 5 . 1 1 59 59 ILE CB C 59 42.332 42.332 40.519 1.813 19946 2169 1 5 . 1 1 59 59 ILE H H 59 8.704 8.704 8.682 0.022 19946 2170 1 5 . 1 1 60 60 ILE N N 60 126.464 126.464 117.287 9.177 19946 2171 1 5 . 1 1 60 60 ILE HA H 60 4.954 4.954 4.993 -0.039 19946 2172 1 5 . 1 1 60 60 ILE CA C 60 57.357 57.357 59.368 -2.011 19946 2173 1 5 . 1 1 60 60 ILE CB C 60 39.131 39.131 42.146 -3.015 19946 2174 1 5 . 1 1 60 60 ILE H H 60 9.006 9.006 7.765 1.241 19946 2175 1 5 . 1 1 61 61 PHE N N 61 124.441 124.441 122.377 2.064 19946 2176 1 5 . 1 1 61 61 PHE HA H 61 5.795 5.795 4.938 0.857 19946 2177 1 5 . 1 1 61 61 PHE CA C 61 56.131 56.131 57.152 -1.021 19946 2178 1 5 . 1 1 61 61 PHE CB C 61 42.879 42.879 43.641 -0.762 19946 2179 1 5 . 1 1 61 61 PHE H H 61 8.938 8.938 8.362 0.576 19946 2180 1 5 . 1 1 62 62 HIS N N 62 117.494 117.494 120.013 -2.519 19946 2181 1 5 . 1 1 62 62 HIS HA H 62 5.928 5.928 5.014 0.914 19946 2182 1 5 . 1 1 62 62 HIS CA C 62 53.322 53.322 55.308 -1.986 19946 2183 1 5 . 1 1 62 62 HIS CB C 62 35.673 35.673 32.885 2.788 19946 2184 1 5 . 1 1 62 62 HIS H H 62 9.230 9.230 8.262 0.968 19946 2185 1 5 . 1 1 63 63 CYS N N 63 120.220 120.220 123.050 -2.830 19946 2186 1 5 . 1 1 63 63 CYS HA H 63 5.033 5.033 4.497 0.536 19946 2187 1 5 . 1 1 63 63 CYS CA C 63 56.131 56.131 57.496 -1.365 19946 2188 1 5 . 1 1 63 63 CYS CB C 63 28.109 28.109 30.534 -2.425 19946 2189 1 5 . 1 1 63 63 CYS H H 63 8.131 8.131 8.707 -0.576 19946 2190 1 5 . 1 1 65 65 ALA N N 65 119.272 119.272 119.818 -0.546 19946 2191 1 5 . 1 1 65 65 ALA HA H 65 5.063 5.063 4.615 0.448 19946 2192 1 5 . 1 1 65 65 ALA CA C 65 49.793 49.793 51.168 -1.375 19946 2193 1 5 . 1 1 65 65 ALA CB C 65 19.775 19.775 18.265 1.510 19946 2194 1 5 . 1 1 65 65 ALA H H 65 8.967 8.967 7.829 1.138 19946 2195 1 5 . 1 1 66 66 GLY N N 66 113.296 113.296 110.245 3.051 19946 2196 1 5 . 1 1 66 66 GLY CA C 66 44.934 44.934 45.465 -0.531 19946 2197 1 5 . 1 1 66 66 GLY H H 66 8.778 8.778 7.687 1.091 19946 2198 1 5 . 1 1 67 67 LYS N N 67 121.300 121.300 118.484 2.816 19946 2199 1 5 . 1 1 67 67 LYS HA H 67 4.211 4.211 3.790 0.421 19946 2200 1 5 . 1 1 67 67 LYS H H 67 8.111 8.111 8.580 -0.469 19946 2201 1 5 . 1 1 68 68 ARG N N 68 126.092 126.092 119.156 6.936 19946 2202 1 5 . 1 1 68 68 ARG H H 68 9.067 9.067 8.092 0.975 19946 2203 1 5 . 1 1 69 69 THR N N 69 117.153 117.153 111.566 5.587 19946 2204 1 5 . 1 1 69 69 THR HA H 69 3.576 3.576 4.475 -0.899 19946 2205 1 5 . 1 1 69 69 THR CA C 69 65.397 65.397 62.088 3.309 19946 2206 1 5 . 1 1 69 69 THR CB C 69 66.938 66.938 69.728 -2.790 19946 2207 1 5 . 1 1 69 69 THR H H 69 10.233 10.233 7.845 2.388 19946 2208 1 5 . 1 1 70 70 SER N N 70 113.686 113.686 117.405 -3.719 19946 2209 1 5 . 1 1 70 70 SER HA H 70 4.091 4.091 4.109 -0.018 19946 2210 1 5 . 1 1 70 70 SER CA C 70 61.391 61.391 60.941 0.450 19946 2211 1 5 . 1 1 70 70 SER CB C 70 65.425 65.425 62.832 2.593 19946 2212 1 5 . 1 1 70 70 SER H H 70 7.322 7.322 8.378 -1.056 19946 2213 1 5 . 1 1 71 71 ASN N N 71 118.257 118.257 118.939 -0.682 19946 2214 1 5 . 1 1 71 71 ASN HA H 71 4.177 4.177 4.524 -0.347 19946 2215 1 5 . 1 1 71 71 ASN CA C 71 54.736 54.736 55.240 -0.504 19946 2216 1 5 . 1 1 71 71 ASN CB C 71 38.391 38.391 38.757 -0.366 19946 2217 1 5 . 1 1 71 71 ASN H H 71 7.863 7.863 8.680 -0.817 19946 2218 1 5 . 1 1 72 72 ASN N N 72 115.529 115.529 114.697 0.832 19946 2219 1 5 . 1 1 72 72 ASN HA H 72 5.127 5.127 4.860 0.267 19946 2220 1 5 . 1 1 72 72 ASN CA C 72 52.173 52.173 53.015 -0.842 19946 2221 1 5 . 1 1 72 72 ASN CB C 72 39.165 39.165 38.535 0.630 19946 2222 1 5 . 1 1 72 72 ASN H H 72 7.238 7.238 8.379 -1.141 19946 2223 1 5 . 1 1 73 73 ALA N N 73 125.388 125.388 124.135 1.253 19946 2224 1 5 . 1 1 73 73 ALA HA H 73 3.639 3.639 3.969 -0.330 19946 2225 1 5 . 1 1 73 73 ALA CA C 73 56.133 56.133 55.015 1.118 19946 2226 1 5 . 1 1 73 73 ALA CB C 73 18.528 18.528 19.179 -0.651 19946 2227 1 5 . 1 1 73 73 ALA H H 73 7.081 7.081 7.587 -0.506 19946 2228 1 5 . 1 1 74 74 ASP N N 74 115.501 115.501 119.369 -3.868 19946 2229 1 5 . 1 1 74 74 ASP HA H 74 4.135 4.135 4.267 -0.132 19946 2230 1 5 . 1 1 74 74 ASP CA C 74 55.891 55.891 57.363 -1.472 19946 2231 1 5 . 1 1 74 74 ASP CB C 74 38.699 38.699 40.207 -1.508 19946 2232 1 5 . 1 1 74 74 ASP H H 74 8.346 8.346 8.478 -0.132 19946 2233 1 5 . 1 1 75 75 LYS N N 75 122.469 122.469 118.390 4.079 19946 2234 1 5 . 1 1 75 75 LYS HA H 75 4.024 4.024 3.974 0.050 19946 2235 1 5 . 1 1 75 75 LYS CA C 75 57.861 57.861 58.945 -1.084 19946 2236 1 5 . 1 1 75 75 LYS CB C 75 31.660 31.660 31.777 -0.117 19946 2237 1 5 . 1 1 75 75 LYS H H 75 7.583 7.583 8.230 -0.647 19946 2238 1 5 . 1 1 76 76 LEU N N 76 119.196 119.196 119.791 -0.595 19946 2239 1 5 . 1 1 76 76 LEU HA H 76 3.570 3.570 3.734 -0.164 19946 2240 1 5 . 1 1 76 76 LEU CA C 76 56.852 56.852 57.446 -0.594 19946 2241 1 5 . 1 1 76 76 LEU CB C 76 39.245 39.245 41.498 -2.253 19946 2242 1 5 . 1 1 76 76 LEU H H 76 8.069 8.069 7.413 0.656 19946 2243 1 5 . 1 1 77 77 ALA N N 77 120.302 120.302 118.887 1.415 19946 2244 1 5 . 1 1 77 77 ALA HA H 77 3.985 3.985 4.089 -0.104 19946 2245 1 5 . 1 1 77 77 ALA CA C 77 53.794 53.794 52.991 0.803 19946 2246 1 5 . 1 1 77 77 ALA CB C 77 17.353 17.353 18.612 -1.259 19946 2247 1 5 . 1 1 77 77 ALA H H 77 8.063 8.063 8.099 -0.036 19946 2248 1 5 . 1 1 78 78 ALA N N 78 119.602 119.602 117.603 1.999 19946 2249 1 5 . 1 1 78 78 ALA HA H 78 4.138 4.138 4.515 -0.377 19946 2250 1 5 . 1 1 78 78 ALA CA C 78 54.049 54.049 51.840 2.209 19946 2251 1 5 . 1 1 78 78 ALA CB C 78 17.520 17.520 19.592 -2.072 19946 2252 1 5 . 1 1 78 78 ALA H H 78 7.274 7.274 7.492 -0.218 19946 2253 1 5 . 1 1 79 79 ILE N N 79 118.809 118.809 118.749 0.060 19946 2254 1 5 . 1 1 79 79 ILE HA H 79 3.798 3.798 4.047 -0.249 19946 2255 1 5 . 1 1 79 79 ILE CA C 79 63.354 63.354 62.451 0.903 19946 2256 1 5 . 1 1 79 79 ILE CB C 79 38.422 38.422 40.180 -1.758 19946 2257 1 5 . 1 1 79 79 ILE H H 79 8.170 8.170 7.347 0.823 19946 2258 1 5 . 1 1 80 80 ALA N N 80 118.736 118.736 119.523 -0.787 19946 2259 1 5 . 1 1 80 80 ALA HA H 80 4.412 4.412 4.545 -0.133 19946 2260 1 5 . 1 1 80 80 ALA CA C 80 50.801 50.801 50.718 0.083 19946 2261 1 5 . 1 1 80 80 ALA CB C 80 19.537 19.537 18.877 0.660 19946 2262 1 5 . 1 1 80 80 ALA H H 80 7.857 7.857 7.301 0.556 19946 2263 1 5 . 1 1 81 81 ALA N N 81 124.485 124.485 123.230 1.255 19946 2264 1 5 . 1 1 81 81 ALA HA H 81 4.353 4.353 5.037 -0.684 19946 2265 1 5 . 1 1 81 81 ALA CA C 81 51.305 51.305 49.335 1.970 19946 2266 1 5 . 1 1 81 81 ALA CB C 81 16.511 16.511 19.204 -2.693 19946 2267 1 5 . 1 1 81 81 ALA H H 81 7.191 7.191 7.434 -0.243 19946 2268 1 5 . 1 1 82 82 PRO CA C 82 62.903 62.903 62.821 0.082 19946 2269 1 5 . 1 1 83 83 ALA N N 83 128.367 128.367 122.379 5.988 19946 2270 1 5 . 1 1 83 83 ALA HA H 83 4.058 4.058 4.051 0.007 19946 2271 1 5 . 1 1 83 83 ALA CA C 83 52.314 52.314 52.947 -0.633 19946 2272 1 5 . 1 1 83 83 ALA CB C 83 19.001 19.001 19.443 -0.442 19946 2273 1 5 . 1 1 83 83 ALA H H 83 8.472 8.472 7.616 0.856 19946 2274 1 5 . 1 1 84 84 GLU N N 84 122.108 122.108 118.922 3.186 19946 2275 1 5 . 1 1 84 84 GLU HA H 84 4.164 4.164 4.409 -0.245 19946 2276 1 5 . 1 1 84 84 GLU CA C 84 55.937 55.937 56.319 -0.382 19946 2277 1 5 . 1 1 84 84 GLU CB C 84 30.213 30.213 31.759 -1.546 19946 2278 1 5 . 1 1 84 84 GLU H H 84 8.106 8.106 7.996 0.110 19946 2279 1 5 . 1 1 85 85 ILE N N 85 122.808 122.808 117.951 4.857 19946 2280 1 5 . 1 1 85 85 ILE HA H 85 5.211 5.211 4.627 0.584 19946 2281 1 5 . 1 1 85 85 ILE CA C 85 58.365 58.365 59.757 -1.392 19946 2282 1 5 . 1 1 85 85 ILE CB C 85 39.707 39.707 42.228 -2.521 19946 2283 1 5 . 1 1 85 85 ILE H H 85 7.850 7.850 7.438 0.412 19946 2284 1 5 . 1 1 86 86 PHE N N 86 122.937 122.937 119.832 3.105 19946 2285 1 5 . 1 1 86 86 PHE HA H 86 5.388 5.388 5.228 0.160 19946 2286 1 5 . 1 1 86 86 PHE CA C 86 54.509 54.509 56.132 -1.623 19946 2287 1 5 . 1 1 86 86 PHE CB C 86 42.878 42.878 42.754 0.124 19946 2288 1 5 . 1 1 86 86 PHE H H 86 9.004 9.004 8.008 0.996 19946 2289 1 5 . 1 1 87 87 LEU N N 87 120.712 120.712 120.014 0.698 19946 2290 1 5 . 1 1 87 87 LEU HA H 87 5.295 5.295 4.715 0.580 19946 2291 1 5 . 1 1 87 87 LEU CA C 87 51.810 51.810 54.389 -2.579 19946 2292 1 5 . 1 1 87 87 LEU CB C 87 42.059 42.059 43.160 -1.101 19946 2293 1 5 . 1 1 87 87 LEU H H 87 8.785 8.785 9.320 -0.535 19946 2294 1 5 . 1 1 88 88 LEU N N 88 124.779 124.779 122.316 2.463 19946 2295 1 5 . 1 1 88 88 LEU HA H 88 4.434 4.434 4.664 -0.230 19946 2296 1 5 . 1 1 88 88 LEU CA C 88 54.331 54.331 53.793 0.538 19946 2297 1 5 . 1 1 88 88 LEU CB C 88 42.648 42.648 43.377 -0.729 19946 2298 1 5 . 1 1 88 88 LEU H H 88 8.243 8.243 8.472 -0.229 19946 2299 1 5 . 1 1 89 89 GLU N N 89 112.478 112.478 126.016 -13.538 19946 2300 1 5 . 1 1 89 89 GLU HA H 89 3.881 3.881 4.153 -0.272 19946 2301 1 5 . 1 1 89 89 GLU H H 89 9.343 9.343 8.118 1.225 19946 2302 1 5 . 1 1 90 90 ASP N N 90 120.709 120.709 122.259 -1.550 19946 2303 1 5 . 1 1 90 90 ASP HA H 90 4.168 4.168 4.447 -0.279 19946 2304 1 5 . 1 1 90 90 ASP H H 90 9.062 9.062 8.535 0.527 19946 2305 1 5 . 1 1 91 91 GLY N N 91 105.049 105.049 111.121 -6.072 19946 2306 1 5 . 1 1 91 91 GLY CA C 91 46.263 46.263 45.884 0.379 19946 2307 1 5 . 1 1 91 91 GLY H H 91 7.848 7.848 8.612 -0.764 19946 2308 1 5 . 1 1 92 92 ILE N N 92 122.127 122.127 120.553 1.574 19946 2309 1 5 . 1 1 92 92 ILE HA H 92 3.811 3.811 3.789 0.022 19946 2310 1 5 . 1 1 92 92 ILE CA C 92 62.656 62.656 65.421 -2.764 19946 2311 1 5 . 1 1 92 92 ILE CB C 92 37.243 37.243 37.401 -0.158 19946 2312 1 5 . 1 1 92 92 ILE H H 92 8.077 8.077 8.541 -0.464 19946 2313 1 5 . 1 1 93 93 ASP N N 93 127.038 127.038 119.066 7.972 19946 2314 1 5 . 1 1 93 93 ASP HA H 93 4.452 4.452 4.390 0.062 19946 2315 1 5 . 1 1 93 93 ASP CA C 93 57.357 57.357 57.549 -0.192 19946 2316 1 5 . 1 1 93 93 ASP CB C 93 38.194 38.194 40.643 -2.449 19946 2317 1 5 . 1 1 93 93 ASP H H 93 9.094 9.094 8.723 0.371 19946 2318 1 5 . 1 1 94 94 GLY N N 94 111.411 111.411 106.949 4.462 19946 2319 1 5 . 1 1 94 94 GLY CA C 94 44.750 44.750 45.892 -1.142 19946 2320 1 5 . 1 1 94 94 GLY H H 94 8.047 8.047 7.722 0.325 19946 2321 1 5 . 1 1 95 95 TRP N N 95 127.574 127.574 125.149 2.425 19946 2322 1 5 . 1 1 95 95 TRP HA H 95 3.738 3.738 4.447 -0.709 19946 2323 1 5 . 1 1 95 95 TRP CA C 95 60.852 60.852 58.873 1.979 19946 2324 1 5 . 1 1 95 95 TRP CB C 95 28.613 28.613 29.798 -1.185 19946 2325 1 5 . 1 1 95 95 TRP H H 95 7.918 7.918 8.436 -0.518 19946 2326 1 5 . 1 1 96 96 LYS N N 96 117.374 117.374 118.854 -1.480 19946 2327 1 5 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.238 -0.159 19946 2328 1 5 . 1 1 96 96 LYS CA C 96 59.091 59.091 56.856 2.235 19946 2329 1 5 . 1 1 96 96 LYS H H 96 8.625 8.625 8.949 -0.324 19946 2330 1 5 . 1 1 97 97 LYS N N 97 123.490 123.490 119.876 3.614 19946 2331 1 5 . 1 1 97 97 LYS HA H 97 4.021 4.021 4.090 -0.069 19946 2332 1 5 . 1 1 97 97 LYS CB C 97 31.542 31.542 32.548 -1.006 19946 2333 1 5 . 1 1 97 97 LYS H H 97 8.233 8.233 7.668 0.565 19946 2334 1 5 . 1 1 98 98 ALA N N 98 120.321 120.321 119.235 1.086 19946 2335 1 5 . 1 1 98 98 ALA HA H 98 4.248 4.248 4.625 -0.377 19946 2336 1 5 . 1 1 98 98 ALA CA C 98 51.305 51.305 51.139 0.166 19946 2337 1 5 . 1 1 98 98 ALA CB C 98 17.744 17.744 19.016 -1.272 19946 2338 1 5 . 1 1 98 98 ALA H H 98 7.480 7.480 7.174 0.306 19946 2339 1 5 . 1 1 99 99 GLY N N 99 106.984 106.984 109.149 -2.165 19946 2340 1 5 . 1 1 99 99 GLY CA C 99 44.246 44.246 46.133 -1.887 19946 2341 1 5 . 1 1 99 99 GLY H H 99 7.867 7.867 7.943 -0.076 19946 2342 1 5 . 1 1 100 100 LEU N N 100 122.993 122.993 121.396 1.597 19946 2343 1 5 . 1 1 100 100 LEU HA H 100 4.277 4.277 4.407 -0.130 19946 2344 1 5 . 1 1 100 100 LEU CA C 100 52.314 52.314 51.018 1.296 19946 2345 1 5 . 1 1 100 100 LEU CB C 100 36.786 36.786 42.545 -5.759 19946 2346 1 5 . 1 1 100 100 LEU H H 100 6.958 6.958 7.145 -0.187 19946 2347 1 5 . 1 1 101 101 PRO HA H 101 4.492 4.492 4.637 -0.145 19946 2348 1 5 . 1 1 101 101 PRO CB C 101 32.097 32.097 32.071 0.026 19946 2349 1 5 . 1 1 102 102 VAL N N 102 111.514 111.514 116.965 -5.451 19946 2350 1 5 . 1 1 102 102 VAL HA H 102 4.367 4.367 4.613 -0.246 19946 2351 1 5 . 1 1 102 102 VAL CA C 102 58.869 58.869 60.518 -1.649 19946 2352 1 5 . 1 1 102 102 VAL CB C 102 35.351 35.351 33.283 2.068 19946 2353 1 5 . 1 1 102 102 VAL H H 102 7.988 7.988 8.224 -0.236 19946 2354 1 5 . 1 1 103 103 ALA N N 103 126.676 126.676 122.411 4.265 19946 2355 1 5 . 1 1 103 103 ALA HA H 103 4.524 4.524 4.560 -0.036 19946 2356 1 5 . 1 1 103 103 ALA CA C 103 49.793 49.793 51.541 -1.748 19946 2357 1 5 . 1 1 103 103 ALA CB C 103 18.600 18.600 17.151 1.449 19946 2358 1 5 . 1 1 103 103 ALA H H 103 8.919 8.919 8.476 0.443 19946 2359 1 5 . 1 1 104 104 VAL N N 104 121.148 121.148 119.756 1.392 19946 2360 1 5 . 1 1 104 104 VAL HA H 104 4.475 4.475 4.527 -0.052 19946 2361 1 5 . 1 1 104 104 VAL CA C 104 59.374 59.374 60.605 -1.231 19946 2362 1 5 . 1 1 104 104 VAL CB C 104 33.884 33.884 33.015 0.869 19946 2363 1 5 . 1 1 104 104 VAL H H 104 8.241 8.241 7.510 0.731 19946 2364 1 5 . 1 1 105 105 ASN N N 105 123.816 123.816 119.371 4.445 19946 2365 1 5 . 1 1 105 105 ASN HA H 105 4.674 4.674 4.840 -0.166 19946 2366 1 5 . 1 1 105 105 ASN CA C 105 53.200 53.200 52.629 0.571 19946 2367 1 5 . 1 1 105 105 ASN CB C 105 37.959 37.959 38.999 -1.040 19946 2368 1 5 . 1 1 105 105 ASN H H 105 8.150 8.150 8.512 -0.362 19946 2369 1 5 . 1 1 106 106 LYS N N 106 123.804 123.804 125.683 -1.879 19946 2370 1 5 . 1 1 106 106 LYS H H 106 8.340 8.340 8.556 -0.216 19946 2371 1 6 . 1 1 2 2 LEU N N 2 120.763 120.763 121.127 -0.364 19946 2372 1 6 . 1 1 2 2 LEU HA H 2 4.384 4.384 4.137 0.247 19946 2373 1 6 . 1 1 2 2 LEU CA C 2 53.827 53.827 56.044 -2.216 19946 2374 1 6 . 1 1 2 2 LEU CB C 2 42.229 42.229 42.303 -0.074 19946 2375 1 6 . 1 1 2 2 LEU H H 2 7.888 7.888 8.372 -0.484 19946 2376 1 6 . 1 1 3 3 THR N N 3 118.330 118.330 108.906 9.424 19946 2377 1 6 . 1 1 3 3 THR HA H 3 4.469 4.469 4.358 0.111 19946 2378 1 6 . 1 1 3 3 THR CA C 3 61.391 61.391 60.993 0.398 19946 2379 1 6 . 1 1 3 3 THR CB C 3 69.496 69.496 70.369 -0.873 19946 2380 1 6 . 1 1 3 3 THR H H 3 7.905 7.905 7.612 0.293 19946 2381 1 6 . 1 1 4 4 THR N N 4 122.024 122.024 115.845 6.179 19946 2382 1 6 . 1 1 4 4 THR HA H 4 5.171 5.171 4.926 0.245 19946 2383 1 6 . 1 1 4 4 THR CA C 4 61.595 61.595 60.840 0.755 19946 2384 1 6 . 1 1 4 4 THR CB C 4 69.027 69.027 70.886 -1.859 19946 2385 1 6 . 1 1 4 4 THR H H 4 8.504 8.504 8.308 0.196 19946 2386 1 6 . 1 1 5 5 ILE N N 5 122.667 122.667 120.937 1.730 19946 2387 1 6 . 1 1 5 5 ILE HA H 5 4.973 4.973 4.412 0.561 19946 2388 1 6 . 1 1 5 5 ILE CA C 5 57.971 57.971 60.883 -2.912 19946 2389 1 6 . 1 1 5 5 ILE CB C 5 41.458 41.458 41.106 0.352 19946 2390 1 6 . 1 1 5 5 ILE H H 5 8.903 8.903 8.447 0.456 19946 2391 1 6 . 1 1 6 6 SER N N 6 123.156 123.156 117.522 5.634 19946 2392 1 6 . 1 1 6 6 SER HA H 6 4.785 4.785 5.060 -0.275 19946 2393 1 6 . 1 1 6 6 SER H H 6 9.138 9.138 8.313 0.825 19946 2394 1 6 . 1 1 7 7 PRO HA H 7 4.004 4.004 4.583 -0.579 19946 2395 1 6 . 1 1 7 7 PRO CA C 7 65.510 65.510 63.361 2.149 19946 2396 1 6 . 1 1 7 7 PRO CB C 7 30.924 30.924 31.001 -0.077 19946 2397 1 6 . 1 1 8 8 HIS N N 8 114.319 114.319 120.240 -5.921 19946 2398 1 6 . 1 1 8 8 HIS HA H 8 3.989 3.989 4.616 -0.627 19946 2399 1 6 . 1 1 8 8 HIS CA C 8 60.050 60.050 57.443 2.607 19946 2400 1 6 . 1 1 8 8 HIS CB C 8 28.613 28.613 31.961 -3.348 19946 2401 1 6 . 1 1 8 8 HIS H H 8 8.127 8.127 8.330 -0.203 19946 2402 1 6 . 1 1 9 9 ASP N N 9 121.300 121.300 121.046 0.254 19946 2403 1 6 . 1 1 9 9 ASP HA H 9 4.301 4.301 4.787 -0.486 19946 2404 1 6 . 1 1 9 9 ASP CA C 9 56.455 56.455 54.894 1.561 19946 2405 1 6 . 1 1 9 9 ASP CB C 9 38.699 38.699 41.821 -3.122 19946 2406 1 6 . 1 1 9 9 ASP H H 9 7.639 7.639 8.290 -0.651 19946 2407 1 6 . 1 1 10 10 ALA N N 10 123.991 123.991 123.025 0.966 19946 2408 1 6 . 1 1 10 10 ALA HA H 10 3.719 3.719 4.020 -0.301 19946 2409 1 6 . 1 1 10 10 ALA CA C 10 54.331 54.331 54.949 -0.618 19946 2410 1 6 . 1 1 10 10 ALA CB C 10 17.549 17.549 18.507 -0.958 19946 2411 1 6 . 1 1 10 10 ALA H H 10 8.820 8.820 7.519 1.301 19946 2412 1 6 . 1 1 11 11 GLN N N 11 118.128 118.128 116.250 1.878 19946 2413 1 6 . 1 1 11 11 GLN HA H 11 3.933 3.933 4.121 -0.188 19946 2414 1 6 . 1 1 11 11 GLN CA C 11 59.389 59.389 57.803 1.586 19946 2415 1 6 . 1 1 11 11 GLN CB C 11 27.948 27.948 28.360 -0.412 19946 2416 1 6 . 1 1 11 11 GLN H H 11 8.353 8.353 8.633 -0.280 19946 2417 1 6 . 1 1 12 12 GLU N N 12 119.307 119.307 119.963 -0.656 19946 2418 1 6 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.269 -0.246 19946 2419 1 6 . 1 1 12 12 GLU CA C 12 58.476 58.476 58.426 0.050 19946 2420 1 6 . 1 1 12 12 GLU CB C 12 28.532 28.532 30.256 -1.724 19946 2421 1 6 . 1 1 12 12 GLU H H 12 7.197 7.197 8.136 -0.939 19946 2422 1 6 . 1 1 13 13 LEU N N 13 120.635 120.635 117.829 2.806 19946 2423 1 6 . 1 1 13 13 LEU HA H 13 3.821 3.821 4.130 -0.309 19946 2424 1 6 . 1 1 13 13 LEU CA C 13 57.065 57.065 58.091 -1.026 19946 2425 1 6 . 1 1 13 13 LEU CB C 13 40.890 40.890 41.571 -0.681 19946 2426 1 6 . 1 1 13 13 LEU H H 13 7.554 7.554 7.478 0.076 19946 2427 1 6 . 1 1 14 14 ILE N N 14 123.021 123.021 119.724 3.297 19946 2428 1 6 . 1 1 14 14 ILE HA H 14 3.827 3.827 3.863 -0.036 19946 2429 1 6 . 1 1 14 14 ILE CA C 14 64.053 64.053 64.652 -0.599 19946 2430 1 6 . 1 1 14 14 ILE CB C 14 38.115 38.115 37.793 0.322 19946 2431 1 6 . 1 1 14 14 ILE H H 14 8.710 8.710 7.950 0.760 19946 2432 1 6 . 1 1 15 15 ALA N N 15 124.504 124.504 120.548 3.956 19946 2433 1 6 . 1 1 15 15 ALA HA H 15 4.115 4.115 4.365 -0.250 19946 2434 1 6 . 1 1 15 15 ALA CA C 15 54.257 54.257 53.863 0.394 19946 2435 1 6 . 1 1 15 15 ALA CB C 15 17.040 17.040 18.424 -1.384 19946 2436 1 6 . 1 1 15 15 ALA H H 15 7.758 7.758 7.876 -0.118 19946 2437 1 6 . 1 1 16 16 ARG N N 16 115.990 115.990 116.313 -0.323 19946 2438 1 6 . 1 1 16 16 ARG HA H 16 4.348 4.348 4.355 -0.007 19946 2439 1 6 . 1 1 16 16 ARG CA C 16 55.416 55.416 56.838 -1.422 19946 2440 1 6 . 1 1 16 16 ARG CB C 16 29.762 29.762 30.935 -1.173 19946 2441 1 6 . 1 1 16 16 ARG H H 16 7.252 7.252 7.612 -0.360 19946 2442 1 6 . 1 1 17 17 GLY N N 17 107.981 107.981 105.618 2.363 19946 2443 1 6 . 1 1 17 17 GLY CA C 17 44.854 44.854 45.354 -0.500 19946 2444 1 6 . 1 1 17 17 GLY H H 17 7.748 7.748 7.541 0.207 19946 2445 1 6 . 1 1 18 18 ALA N N 18 123.914 123.914 124.907 -0.993 19946 2446 1 6 . 1 1 18 18 ALA HA H 18 4.221 4.221 4.282 -0.061 19946 2447 1 6 . 1 1 18 18 ALA CA C 18 52.270 52.270 53.052 -0.782 19946 2448 1 6 . 1 1 18 18 ALA CB C 18 18.638 18.638 19.514 -0.876 19946 2449 1 6 . 1 1 18 18 ALA H H 18 7.940 7.940 7.745 0.195 19946 2450 1 6 . 1 1 19 19 LYS N N 19 119.436 119.436 122.185 -2.749 19946 2451 1 6 . 1 1 19 19 LYS HA H 19 4.301 4.301 4.333 -0.032 19946 2452 1 6 . 1 1 19 19 LYS CA C 19 53.105 53.105 55.429 -2.324 19946 2453 1 6 . 1 1 19 19 LYS CB C 19 32.856 32.856 34.796 -1.940 19946 2454 1 6 . 1 1 19 19 LYS H H 19 7.565 7.565 8.241 -0.676 19946 2455 1 6 . 1 1 20 20 LEU N N 20 127.401 127.401 124.349 3.052 19946 2456 1 6 . 1 1 20 20 LEU HA H 20 5.042 5.042 4.839 0.203 19946 2457 1 6 . 1 1 20 20 LEU CA C 20 52.314 52.314 54.279 -1.965 19946 2458 1 6 . 1 1 20 20 LEU CB C 20 43.234 43.234 44.565 -1.331 19946 2459 1 6 . 1 1 20 20 LEU H H 20 8.727 8.727 8.463 0.264 19946 2460 1 6 . 1 1 21 21 ILE N N 21 128.186 128.186 127.519 0.667 19946 2461 1 6 . 1 1 21 21 ILE HA H 21 4.547 4.547 4.225 0.322 19946 2462 1 6 . 1 1 21 21 ILE CA C 21 59.589 59.589 59.971 -0.382 19946 2463 1 6 . 1 1 21 21 ILE CB C 21 38.545 38.545 40.808 -2.263 19946 2464 1 6 . 1 1 21 21 ILE H H 21 9.366 9.366 7.822 1.544 19946 2465 1 6 . 1 1 22 22 ASP N N 22 129.968 129.968 125.018 4.950 19946 2466 1 6 . 1 1 22 22 ASP HA H 22 3.803 3.803 4.673 -0.870 19946 2467 1 6 . 1 1 22 22 ASP CA C 22 51.435 51.435 52.860 -1.425 19946 2468 1 6 . 1 1 22 22 ASP CB C 22 42.062 42.062 42.248 -0.186 19946 2469 1 6 . 1 1 22 22 ASP H H 22 8.583 8.583 7.790 0.793 19946 2470 1 6 . 1 1 23 23 ILE N N 23 116.266 116.266 119.547 -3.281 19946 2471 1 6 . 1 1 23 23 ILE HA H 23 5.229 5.229 4.333 0.896 19946 2472 1 6 . 1 1 23 23 ILE CA C 23 59.374 59.374 59.784 -0.410 19946 2473 1 6 . 1 1 23 23 ILE CB C 23 37.327 37.327 36.726 0.601 19946 2474 1 6 . 1 1 23 23 ILE H H 23 7.836 7.836 7.315 0.521 19946 2475 1 6 . 1 1 24 24 ARG N N 24 125.001 125.001 119.955 5.046 19946 2476 1 6 . 1 1 24 24 ARG HA H 24 4.116 4.116 4.530 -0.414 19946 2477 1 6 . 1 1 24 24 ARG CA C 24 55.943 55.943 54.154 1.789 19946 2478 1 6 . 1 1 24 24 ARG CB C 24 30.135 30.135 32.051 -1.916 19946 2479 1 6 . 1 1 24 24 ARG H H 24 8.195 8.195 7.183 1.012 19946 2480 1 6 . 1 1 25 25 ASP N N 25 112.839 112.839 120.563 -7.724 19946 2481 1 6 . 1 1 25 25 ASP HA H 25 4.545 4.545 4.533 0.012 19946 2482 1 6 . 1 1 25 25 ASP CA C 25 53.870 53.870 54.827 -0.957 19946 2483 1 6 . 1 1 25 25 ASP CB C 25 41.327 41.327 41.430 -0.103 19946 2484 1 6 . 1 1 25 25 ASP H H 25 7.660 7.660 8.474 -0.814 19946 2485 1 6 . 1 1 26 26 ALA N N 26 122.145 122.145 123.842 -1.697 19946 2486 1 6 . 1 1 26 26 ALA HA H 26 3.897 3.897 4.159 -0.262 19946 2487 1 6 . 1 1 26 26 ALA CA C 26 54.958 54.958 54.839 0.119 19946 2488 1 6 . 1 1 26 26 ALA CB C 26 17.520 17.520 19.001 -1.481 19946 2489 1 6 . 1 1 26 26 ALA H H 26 8.766 8.766 8.415 0.351 19946 2490 1 6 . 1 1 27 27 ASP N N 27 115.380 115.380 118.042 -2.662 19946 2491 1 6 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.381 -0.082 19946 2492 1 6 . 1 1 27 27 ASP CA C 27 56.451 56.451 56.878 -0.427 19946 2493 1 6 . 1 1 27 27 ASP CB C 27 39.156 39.156 40.068 -0.912 19946 2494 1 6 . 1 1 27 27 ASP H H 27 8.686 8.686 8.613 0.073 19946 2495 1 6 . 1 1 28 28 GLU N N 28 120.081 120.081 117.582 2.499 19946 2496 1 6 . 1 1 28 28 GLU HA H 28 4.086 4.086 4.144 -0.058 19946 2497 1 6 . 1 1 28 28 GLU CA C 28 58.389 58.389 58.610 -0.221 19946 2498 1 6 . 1 1 28 28 GLU CB C 28 28.728 28.728 29.599 -0.871 19946 2499 1 6 . 1 1 28 28 GLU H H 28 7.397 7.397 8.611 -1.214 19946 2500 1 6 . 1 1 29 29 TYR N N 29 121.205 121.205 119.614 1.591 19946 2501 1 6 . 1 1 29 29 TYR HA H 29 4.083 4.083 4.583 -0.500 19946 2502 1 6 . 1 1 29 29 TYR CA C 29 60.378 60.378 59.005 1.373 19946 2503 1 6 . 1 1 29 29 TYR CB C 29 38.699 38.699 38.889 -0.190 19946 2504 1 6 . 1 1 29 29 TYR H H 29 7.506 7.506 8.189 -0.683 19946 2505 1 6 . 1 1 30 30 LEU N N 30 118.828 118.828 120.113 -1.285 19946 2506 1 6 . 1 1 30 30 LEU HA H 30 3.850 3.850 3.868 -0.018 19946 2507 1 6 . 1 1 30 30 LEU CA C 30 56.348 56.348 57.011 -0.663 19946 2508 1 6 . 1 1 30 30 LEU CB C 30 41.220 41.220 42.174 -0.954 19946 2509 1 6 . 1 1 30 30 LEU H H 30 8.211 8.211 8.000 0.211 19946 2510 1 6 . 1 1 31 31 ARG N N 31 118.220 118.220 117.638 0.582 19946 2511 1 6 . 1 1 31 31 ARG HA H 31 4.101 4.101 4.354 -0.253 19946 2512 1 6 . 1 1 31 31 ARG CA C 31 58.365 58.365 56.960 1.405 19946 2513 1 6 . 1 1 31 31 ARG CB C 31 30.074 30.074 31.165 -1.091 19946 2514 1 6 . 1 1 31 31 ARG H H 31 7.120 7.120 7.920 -0.800 19946 2515 1 6 . 1 1 32 32 GLU N N 32 117.980 117.980 119.588 -1.608 19946 2516 1 6 . 1 1 32 32 GLU HA H 32 4.884 4.884 4.191 0.693 19946 2517 1 6 . 1 1 32 32 GLU CA C 32 55.339 55.339 57.682 -2.343 19946 2518 1 6 . 1 1 32 32 GLU CB C 32 31.698 31.698 30.593 1.105 19946 2519 1 6 . 1 1 32 32 GLU H H 32 7.506 7.506 8.209 -0.703 19946 2520 1 6 . 1 1 33 33 HIS N N 33 118.257 118.257 119.517 -1.260 19946 2521 1 6 . 1 1 33 33 HIS HA H 33 4.643 4.643 4.917 -0.274 19946 2522 1 6 . 1 1 33 33 HIS CA C 33 53.766 53.766 55.422 -1.657 19946 2523 1 6 . 1 1 33 33 HIS CB C 33 29.940 29.940 29.886 0.054 19946 2524 1 6 . 1 1 33 33 HIS H H 33 8.269 8.269 8.630 -0.361 19946 2525 1 6 . 1 1 34 34 ILE N N 34 127.809 127.809 127.132 0.677 19946 2526 1 6 . 1 1 34 34 ILE HA H 34 3.920 3.920 3.797 0.123 19946 2527 1 6 . 1 1 34 34 ILE CA C 34 59.648 59.648 62.502 -2.854 19946 2528 1 6 . 1 1 34 34 ILE CB C 34 37.959 37.959 38.140 -0.181 19946 2529 1 6 . 1 1 34 34 ILE H H 34 9.989 9.989 8.891 1.098 19946 2530 1 6 . 1 1 35 35 PRO HA H 35 4.198 4.198 4.018 0.180 19946 2531 1 6 . 1 1 36 36 GLU N N 36 114.414 114.414 116.690 -2.276 19946 2532 1 6 . 1 1 36 36 GLU HA H 36 4.082 4.082 4.201 -0.119 19946 2533 1 6 . 1 1 36 36 GLU CA C 36 57.861 57.861 56.452 1.409 19946 2534 1 6 . 1 1 36 36 GLU CB C 36 28.109 28.109 30.172 -2.063 19946 2535 1 6 . 1 1 36 36 GLU H H 36 8.557 8.557 7.764 0.793 19946 2536 1 6 . 1 1 37 37 ALA N N 37 122.882 122.882 123.746 -0.864 19946 2537 1 6 . 1 1 37 37 ALA HA H 37 4.439 4.439 5.163 -0.724 19946 2538 1 6 . 1 1 37 37 ALA CA C 37 52.005 52.005 51.506 0.499 19946 2539 1 6 . 1 1 37 37 ALA CB C 37 20.438 20.438 21.922 -1.484 19946 2540 1 6 . 1 1 37 37 ALA H H 37 8.096 8.096 8.127 -0.031 19946 2541 1 6 . 1 1 38 38 ASP N N 38 124.471 124.471 118.628 5.843 19946 2542 1 6 . 1 1 38 38 ASP HA H 38 4.844 4.844 4.791 0.053 19946 2543 1 6 . 1 1 38 38 ASP CA C 38 52.614 52.614 54.046 -1.432 19946 2544 1 6 . 1 1 38 38 ASP CB C 38 44.407 44.407 44.252 0.155 19946 2545 1 6 . 1 1 38 38 ASP H H 38 9.004 9.004 8.441 0.563 19946 2546 1 6 . 1 1 39 39 LEU N N 39 123.936 123.936 125.079 -1.143 19946 2547 1 6 . 1 1 39 39 LEU HA H 39 4.328 4.328 3.795 0.533 19946 2548 1 6 . 1 1 39 39 LEU CA C 39 54.037 54.037 55.937 -1.900 19946 2549 1 6 . 1 1 39 39 LEU CB C 39 41.220 41.220 41.333 -0.113 19946 2550 1 6 . 1 1 39 39 LEU H H 39 8.125 8.125 8.153 -0.028 19946 2551 1 6 . 1 1 40 40 ALA N N 40 131.297 131.297 127.228 4.069 19946 2552 1 6 . 1 1 40 40 ALA HA H 40 4.408 4.408 4.406 0.002 19946 2553 1 6 . 1 1 40 40 ALA CA C 40 48.784 48.784 50.906 -2.122 19946 2554 1 6 . 1 1 40 40 ALA CB C 40 17.979 17.979 19.284 -1.305 19946 2555 1 6 . 1 1 40 40 ALA H H 40 8.654 8.654 7.898 0.756 19946 2556 1 6 . 1 1 41 41 PRO HA H 41 4.101 4.101 4.667 -0.566 19946 2557 1 6 . 1 1 41 41 PRO CA C 41 61.391 61.391 62.369 -0.978 19946 2558 1 6 . 1 1 41 41 PRO CB C 41 32.097 32.097 32.395 -0.298 19946 2559 1 6 . 1 1 42 42 LEU N N 42 125.312 125.312 121.142 4.170 19946 2560 1 6 . 1 1 42 42 LEU HA H 42 3.871 3.871 3.895 -0.024 19946 2561 1 6 . 1 1 42 42 LEU CA C 42 57.861 57.861 58.781 -0.920 19946 2562 1 6 . 1 1 42 42 LEU CB C 42 40.941 40.941 41.171 -0.230 19946 2563 1 6 . 1 1 42 42 LEU H H 42 8.285 8.285 8.437 -0.152 19946 2564 1 6 . 1 1 43 43 SER N N 43 110.669 110.669 114.486 -3.817 19946 2565 1 6 . 1 1 43 43 SER HA H 43 4.106 4.106 4.054 0.052 19946 2566 1 6 . 1 1 43 43 SER CA C 43 60.497 60.497 62.943 -2.446 19946 2567 1 6 . 1 1 43 43 SER CB C 43 61.391 61.391 62.774 -1.383 19946 2568 1 6 . 1 1 43 43 SER H H 43 8.453 8.453 8.265 0.188 19946 2569 1 6 . 1 1 44 44 VAL N N 44 123.933 123.933 121.421 2.512 19946 2570 1 6 . 1 1 44 44 VAL HA H 44 3.821 3.821 3.685 0.136 19946 2571 1 6 . 1 1 44 44 VAL CA C 44 64.752 64.752 66.360 -1.608 19946 2572 1 6 . 1 1 44 44 VAL CB C 44 31.135 31.135 31.721 -0.586 19946 2573 1 6 . 1 1 44 44 VAL H H 44 7.156 7.156 7.746 -0.590 19946 2574 1 6 . 1 1 45 45 LEU N N 45 121.150 121.150 119.501 1.649 19946 2575 1 6 . 1 1 45 45 LEU HA H 45 3.767 3.767 3.931 -0.164 19946 2576 1 6 . 1 1 45 45 LEU CA C 45 56.599 56.599 57.967 -1.368 19946 2577 1 6 . 1 1 45 45 LEU CB C 45 40.890 40.890 41.501 -0.611 19946 2578 1 6 . 1 1 45 45 LEU H H 45 7.997 7.997 8.943 -0.946 19946 2579 1 6 . 1 1 46 46 GLU N N 46 116.256 116.256 118.516 -2.260 19946 2580 1 6 . 1 1 46 46 GLU HA H 46 3.678 3.678 4.077 -0.399 19946 2581 1 6 . 1 1 46 46 GLU CA C 46 58.365 58.365 58.590 -0.225 19946 2582 1 6 . 1 1 46 46 GLU CB C 46 29.622 29.622 29.964 -0.342 19946 2583 1 6 . 1 1 46 46 GLU H H 46 8.501 8.501 8.155 0.346 19946 2584 1 6 . 1 1 47 47 GLN N N 47 117.261 117.261 116.885 0.376 19946 2585 1 6 . 1 1 47 47 GLN HA H 47 4.216 4.216 4.152 0.064 19946 2586 1 6 . 1 1 47 47 GLN CA C 47 56.852 56.852 57.997 -1.145 19946 2587 1 6 . 1 1 47 47 GLN CB C 47 29.119 29.119 29.094 0.025 19946 2588 1 6 . 1 1 47 47 GLN H H 47 7.407 7.407 7.943 -0.536 19946 2589 1 6 . 1 1 48 48 SER N N 48 111.890 111.890 112.358 -0.468 19946 2590 1 6 . 1 1 48 48 SER HA H 48 4.641 4.641 4.486 0.155 19946 2591 1 6 . 1 1 48 48 SER CA C 48 57.956 57.956 57.998 -0.042 19946 2592 1 6 . 1 1 48 48 SER CB C 48 63.912 63.912 64.874 -0.962 19946 2593 1 6 . 1 1 48 48 SER H H 48 8.566 8.566 8.433 0.133 19946 2594 1 6 . 1 1 49 49 GLY N N 49 111.545 111.545 109.211 2.334 19946 2595 1 6 . 1 1 49 49 GLY CA C 49 43.894 43.894 44.613 -0.719 19946 2596 1 6 . 1 1 49 49 GLY H H 49 7.836 7.836 7.553 0.283 19946 2597 1 6 . 1 1 50 50 LEU N N 50 121.541 121.541 124.811 -3.270 19946 2598 1 6 . 1 1 50 50 LEU HA H 50 4.239 4.239 4.295 -0.056 19946 2599 1 6 . 1 1 50 50 LEU CA C 50 51.985 51.985 54.681 -2.696 19946 2600 1 6 . 1 1 50 50 LEU CB C 50 42.648 42.648 41.691 0.957 19946 2601 1 6 . 1 1 50 50 LEU H H 50 8.564 8.564 8.482 0.082 19946 2602 1 6 . 1 1 51 51 PRO HA H 51 4.243 4.243 4.602 -0.359 19946 2603 1 6 . 1 1 51 51 PRO CB C 51 31.639 31.639 32.713 -1.074 19946 2604 1 6 . 1 1 52 52 ALA N N 52 127.008 127.008 125.138 1.870 19946 2605 1 6 . 1 1 52 52 ALA HA H 52 3.790 3.790 4.146 -0.356 19946 2606 1 6 . 1 1 52 52 ALA CA C 52 54.835 54.835 54.893 -0.058 19946 2607 1 6 . 1 1 52 52 ALA CB C 52 17.715 17.715 18.514 -0.799 19946 2608 1 6 . 1 1 52 52 ALA H H 52 8.564 8.564 8.564 0.000 19946 2609 1 6 . 1 1 53 53 LYS N N 53 114.535 114.535 115.875 -1.340 19946 2610 1 6 . 1 1 53 53 LYS HA H 53 4.106 4.106 4.101 0.005 19946 2611 1 6 . 1 1 53 53 LYS CA C 53 56.852 56.852 58.314 -1.462 19946 2612 1 6 . 1 1 53 53 LYS CB C 53 31.386 31.386 31.696 -0.310 19946 2613 1 6 . 1 1 53 53 LYS H H 53 8.364 8.364 8.417 -0.053 19946 2614 1 6 . 1 1 54 54 LEU N N 54 118.515 118.515 116.974 1.541 19946 2615 1 6 . 1 1 54 54 LEU HA H 54 4.247 4.247 4.471 -0.224 19946 2616 1 6 . 1 1 54 54 LEU CA C 54 53.338 53.338 53.867 -0.529 19946 2617 1 6 . 1 1 54 54 LEU CB C 54 40.890 40.890 42.098 -1.208 19946 2618 1 6 . 1 1 54 54 LEU H H 54 7.745 7.745 7.227 0.518 19946 2619 1 6 . 1 1 55 55 ARG N N 55 117.612 117.612 121.380 -3.768 19946 2620 1 6 . 1 1 55 55 ARG HA H 55 3.927 3.927 4.610 -0.683 19946 2621 1 6 . 1 1 55 55 ARG CA C 55 56.832 56.832 55.328 1.504 19946 2622 1 6 . 1 1 55 55 ARG CB C 55 28.610 28.610 32.088 -3.478 19946 2623 1 6 . 1 1 55 55 ARG H H 55 6.938 6.938 8.058 -1.120 19946 2624 1 6 . 1 1 56 56 HIS N N 56 123.269 123.269 122.726 0.543 19946 2625 1 6 . 1 1 56 56 HIS HA H 56 4.614 4.614 4.798 -0.184 19946 2626 1 6 . 1 1 56 56 HIS CA C 56 54.835 54.835 55.262 -0.427 19946 2627 1 6 . 1 1 56 56 HIS CB C 56 32.648 32.648 32.320 0.328 19946 2628 1 6 . 1 1 56 56 HIS H H 56 7.237 7.237 8.582 -1.345 19946 2629 1 6 . 1 1 57 57 GLU N N 57 120.895 120.895 118.660 2.235 19946 2630 1 6 . 1 1 57 57 GLU HA H 57 3.976 3.976 4.282 -0.306 19946 2631 1 6 . 1 1 57 57 GLU CA C 57 58.871 58.871 58.038 0.832 19946 2632 1 6 . 1 1 57 57 GLU CB C 57 29.158 29.158 30.545 -1.387 19946 2633 1 6 . 1 1 57 57 GLU H H 57 7.625 7.625 8.486 -0.861 19946 2634 1 6 . 1 1 58 58 GLN N N 58 118.485 118.485 115.163 3.322 19946 2635 1 6 . 1 1 58 58 GLN HA H 58 5.425 5.425 5.128 0.297 19946 2636 1 6 . 1 1 58 58 GLN CA C 58 54.910 54.910 54.586 0.324 19946 2637 1 6 . 1 1 58 58 GLN CB C 58 32.285 32.285 29.009 3.276 19946 2638 1 6 . 1 1 58 58 GLN H H 58 8.335 8.335 7.834 0.501 19946 2639 1 6 . 1 1 59 59 ILE N N 59 123.505 123.505 118.590 4.915 19946 2640 1 6 . 1 1 59 59 ILE HA H 59 4.492 4.492 4.982 -0.490 19946 2641 1 6 . 1 1 59 59 ILE CA C 59 58.869 58.869 60.092 -1.223 19946 2642 1 6 . 1 1 59 59 ILE CB C 59 42.332 42.332 40.122 2.210 19946 2643 1 6 . 1 1 59 59 ILE H H 59 8.704 8.704 8.366 0.338 19946 2644 1 6 . 1 1 60 60 ILE N N 60 126.464 126.464 119.412 7.052 19946 2645 1 6 . 1 1 60 60 ILE HA H 60 4.954 4.954 5.113 -0.159 19946 2646 1 6 . 1 1 60 60 ILE CA C 60 57.357 57.357 59.216 -1.859 19946 2647 1 6 . 1 1 60 60 ILE CB C 60 39.131 39.131 42.317 -3.186 19946 2648 1 6 . 1 1 60 60 ILE H H 60 9.006 9.006 8.812 0.194 19946 2649 1 6 . 1 1 61 61 PHE N N 61 124.441 124.441 121.278 3.163 19946 2650 1 6 . 1 1 61 61 PHE HA H 61 5.795 5.795 5.049 0.746 19946 2651 1 6 . 1 1 61 61 PHE CA C 61 56.131 56.131 56.622 -0.491 19946 2652 1 6 . 1 1 61 61 PHE CB C 61 42.879 42.879 43.874 -0.995 19946 2653 1 6 . 1 1 61 61 PHE H H 61 8.938 8.938 8.395 0.543 19946 2654 1 6 . 1 1 62 62 HIS N N 62 117.494 117.494 115.069 2.425 19946 2655 1 6 . 1 1 62 62 HIS HA H 62 5.928 5.928 5.023 0.905 19946 2656 1 6 . 1 1 62 62 HIS CA C 62 53.322 53.322 55.582 -2.260 19946 2657 1 6 . 1 1 62 62 HIS CB C 62 35.673 35.673 31.819 3.854 19946 2658 1 6 . 1 1 62 62 HIS H H 62 9.230 9.230 7.990 1.240 19946 2659 1 6 . 1 1 63 63 CYS N N 63 120.220 120.220 121.624 -1.404 19946 2660 1 6 . 1 1 63 63 CYS HA H 63 5.033 5.033 4.694 0.339 19946 2661 1 6 . 1 1 63 63 CYS CA C 63 56.131 56.131 55.856 0.275 19946 2662 1 6 . 1 1 63 63 CYS CB C 63 28.109 28.109 31.446 -3.337 19946 2663 1 6 . 1 1 63 63 CYS H H 63 8.131 8.131 8.808 -0.677 19946 2664 1 6 . 1 1 65 65 ALA N N 65 119.272 119.272 120.180 -0.908 19946 2665 1 6 . 1 1 65 65 ALA HA H 65 5.063 5.063 4.590 0.473 19946 2666 1 6 . 1 1 65 65 ALA CA C 65 49.793 49.793 51.714 -1.921 19946 2667 1 6 . 1 1 65 65 ALA CB C 65 19.775 19.775 19.366 0.409 19946 2668 1 6 . 1 1 65 65 ALA H H 65 8.967 8.967 7.368 1.599 19946 2669 1 6 . 1 1 66 66 GLY N N 66 113.296 113.296 108.847 4.449 19946 2670 1 6 . 1 1 66 66 GLY CA C 66 44.934 44.934 46.219 -1.285 19946 2671 1 6 . 1 1 66 66 GLY H H 66 8.778 8.778 8.236 0.542 19946 2672 1 6 . 1 1 67 67 LYS N N 67 121.300 121.300 126.069 -4.769 19946 2673 1 6 . 1 1 67 67 LYS HA H 67 4.211 4.211 4.404 -0.193 19946 2674 1 6 . 1 1 67 67 LYS H H 67 8.111 8.111 7.919 0.192 19946 2675 1 6 . 1 1 68 68 ARG N N 68 126.092 126.092 122.283 3.809 19946 2676 1 6 . 1 1 68 68 ARG H H 68 9.067 9.067 8.605 0.462 19946 2677 1 6 . 1 1 69 69 THR N N 69 117.153 117.153 112.973 4.180 19946 2678 1 6 . 1 1 69 69 THR HA H 69 3.576 3.576 4.365 -0.789 19946 2679 1 6 . 1 1 69 69 THR CA C 69 65.397 65.397 62.036 3.361 19946 2680 1 6 . 1 1 69 69 THR CB C 69 66.938 66.938 69.489 -2.551 19946 2681 1 6 . 1 1 69 69 THR H H 69 10.233 10.233 8.188 2.045 19946 2682 1 6 . 1 1 70 70 SER N N 70 113.686 113.686 116.968 -3.282 19946 2683 1 6 . 1 1 70 70 SER HA H 70 4.091 4.091 4.262 -0.171 19946 2684 1 6 . 1 1 70 70 SER CA C 70 61.391 61.391 60.139 1.252 19946 2685 1 6 . 1 1 70 70 SER CB C 70 65.425 65.425 62.713 2.712 19946 2686 1 6 . 1 1 70 70 SER H H 70 7.322 7.322 8.397 -1.075 19946 2687 1 6 . 1 1 71 71 ASN N N 71 118.257 118.257 119.152 -0.895 19946 2688 1 6 . 1 1 71 71 ASN HA H 71 4.177 4.177 4.525 -0.348 19946 2689 1 6 . 1 1 71 71 ASN CA C 71 54.736 54.736 55.271 -0.535 19946 2690 1 6 . 1 1 71 71 ASN CB C 71 38.391 38.391 38.551 -0.160 19946 2691 1 6 . 1 1 71 71 ASN H H 71 7.863 7.863 8.643 -0.780 19946 2692 1 6 . 1 1 72 72 ASN N N 72 115.529 115.529 115.268 0.261 19946 2693 1 6 . 1 1 72 72 ASN HA H 72 5.127 5.127 4.900 0.227 19946 2694 1 6 . 1 1 72 72 ASN CA C 72 52.173 52.173 52.896 -0.723 19946 2695 1 6 . 1 1 72 72 ASN CB C 72 39.165 39.165 38.805 0.360 19946 2696 1 6 . 1 1 72 72 ASN H H 72 7.238 7.238 8.027 -0.789 19946 2697 1 6 . 1 1 73 73 ALA N N 73 125.388 125.388 122.083 3.305 19946 2698 1 6 . 1 1 73 73 ALA HA H 73 3.639 3.639 4.238 -0.599 19946 2699 1 6 . 1 1 73 73 ALA CA C 73 56.133 56.133 54.108 2.025 19946 2700 1 6 . 1 1 73 73 ALA CB C 73 18.528 18.528 19.506 -0.978 19946 2701 1 6 . 1 1 73 73 ALA H H 73 7.081 7.081 7.529 -0.448 19946 2702 1 6 . 1 1 74 74 ASP N N 74 115.501 115.501 119.476 -3.975 19946 2703 1 6 . 1 1 74 74 ASP HA H 74 4.135 4.135 4.207 -0.072 19946 2704 1 6 . 1 1 74 74 ASP CA C 74 55.891 55.891 57.852 -1.962 19946 2705 1 6 . 1 1 74 74 ASP CB C 74 38.699 38.699 40.379 -1.679 19946 2706 1 6 . 1 1 74 74 ASP H H 74 8.346 8.346 8.682 -0.336 19946 2707 1 6 . 1 1 75 75 LYS N N 75 122.469 122.469 118.316 4.153 19946 2708 1 6 . 1 1 75 75 LYS HA H 75 4.024 4.024 4.079 -0.055 19946 2709 1 6 . 1 1 75 75 LYS CA C 75 57.861 57.861 59.157 -1.296 19946 2710 1 6 . 1 1 75 75 LYS CB C 75 31.660 31.660 32.240 -0.580 19946 2711 1 6 . 1 1 75 75 LYS H H 75 7.583 7.583 8.280 -0.697 19946 2712 1 6 . 1 1 76 76 LEU N N 76 119.196 119.196 120.274 -1.078 19946 2713 1 6 . 1 1 76 76 LEU HA H 76 3.570 3.570 3.780 -0.210 19946 2714 1 6 . 1 1 76 76 LEU CA C 76 56.852 56.852 57.367 -0.515 19946 2715 1 6 . 1 1 76 76 LEU CB C 76 39.245 39.245 41.111 -1.866 19946 2716 1 6 . 1 1 76 76 LEU H H 76 8.069 8.069 7.825 0.244 19946 2717 1 6 . 1 1 77 77 ALA N N 77 120.302 120.302 121.870 -1.568 19946 2718 1 6 . 1 1 77 77 ALA HA H 77 3.985 3.985 3.888 0.097 19946 2719 1 6 . 1 1 77 77 ALA CA C 77 53.794 53.794 54.767 -0.973 19946 2720 1 6 . 1 1 77 77 ALA CB C 77 17.353 17.353 18.179 -0.826 19946 2721 1 6 . 1 1 77 77 ALA H H 77 8.063 8.063 7.882 0.181 19946 2722 1 6 . 1 1 78 78 ALA N N 78 119.602 119.602 120.045 -0.443 19946 2723 1 6 . 1 1 78 78 ALA HA H 78 4.138 4.138 4.123 0.015 19946 2724 1 6 . 1 1 78 78 ALA CA C 78 54.049 54.049 54.161 -0.112 19946 2725 1 6 . 1 1 78 78 ALA CB C 78 17.520 17.520 18.754 -1.234 19946 2726 1 6 . 1 1 78 78 ALA H H 78 7.274 7.274 7.606 -0.332 19946 2727 1 6 . 1 1 79 79 ILE N N 79 118.809 118.809 118.769 0.040 19946 2728 1 6 . 1 1 79 79 ILE HA H 79 3.798 3.798 3.785 0.013 19946 2729 1 6 . 1 1 79 79 ILE CA C 79 63.354 63.354 63.698 -0.344 19946 2730 1 6 . 1 1 79 79 ILE CB C 79 38.422 38.422 38.708 -0.286 19946 2731 1 6 . 1 1 79 79 ILE H H 79 8.170 8.170 7.786 0.384 19946 2732 1 6 . 1 1 80 80 ALA N N 80 118.736 118.736 117.741 0.995 19946 2733 1 6 . 1 1 80 80 ALA HA H 80 4.412 4.412 4.577 -0.165 19946 2734 1 6 . 1 1 80 80 ALA CA C 80 50.801 50.801 50.288 0.513 19946 2735 1 6 . 1 1 80 80 ALA CB C 80 19.537 19.537 18.697 0.840 19946 2736 1 6 . 1 1 80 80 ALA H H 80 7.857 7.857 7.742 0.115 19946 2737 1 6 . 1 1 81 81 ALA N N 81 124.485 124.485 123.073 1.412 19946 2738 1 6 . 1 1 81 81 ALA HA H 81 4.353 4.353 5.121 -0.768 19946 2739 1 6 . 1 1 81 81 ALA CA C 81 51.305 51.305 49.278 2.027 19946 2740 1 6 . 1 1 81 81 ALA CB C 81 16.511 16.511 18.953 -2.442 19946 2741 1 6 . 1 1 81 81 ALA H H 81 7.191 7.191 7.260 -0.069 19946 2742 1 6 . 1 1 82 82 PRO CA C 82 62.903 62.903 62.884 0.019 19946 2743 1 6 . 1 1 83 83 ALA N N 83 128.367 128.367 122.214 6.153 19946 2744 1 6 . 1 1 83 83 ALA HA H 83 4.058 4.058 4.094 -0.036 19946 2745 1 6 . 1 1 83 83 ALA CA C 83 52.314 52.314 52.890 -0.576 19946 2746 1 6 . 1 1 83 83 ALA CB C 83 19.001 19.001 19.374 -0.373 19946 2747 1 6 . 1 1 83 83 ALA H H 83 8.472 8.472 7.682 0.790 19946 2748 1 6 . 1 1 84 84 GLU N N 84 122.108 122.108 122.812 -0.704 19946 2749 1 6 . 1 1 84 84 GLU HA H 84 4.164 4.164 4.470 -0.306 19946 2750 1 6 . 1 1 84 84 GLU CA C 84 55.937 55.937 56.952 -1.015 19946 2751 1 6 . 1 1 84 84 GLU CB C 84 30.213 30.213 31.198 -0.985 19946 2752 1 6 . 1 1 84 84 GLU H H 84 8.106 8.106 8.030 0.076 19946 2753 1 6 . 1 1 85 85 ILE N N 85 122.808 122.808 121.466 1.342 19946 2754 1 6 . 1 1 85 85 ILE HA H 85 5.211 5.211 4.781 0.430 19946 2755 1 6 . 1 1 85 85 ILE CA C 85 58.365 58.365 58.725 -0.360 19946 2756 1 6 . 1 1 85 85 ILE CB C 85 39.707 39.707 40.365 -0.658 19946 2757 1 6 . 1 1 85 85 ILE H H 85 7.850 7.850 8.419 -0.569 19946 2758 1 6 . 1 1 86 86 PHE N N 86 122.937 122.937 120.860 2.077 19946 2759 1 6 . 1 1 86 86 PHE HA H 86 5.388 5.388 4.773 0.615 19946 2760 1 6 . 1 1 86 86 PHE CA C 86 54.509 54.509 56.800 -2.292 19946 2761 1 6 . 1 1 86 86 PHE CB C 86 42.878 42.878 43.274 -0.396 19946 2762 1 6 . 1 1 86 86 PHE H H 86 9.004 9.004 8.178 0.826 19946 2763 1 6 . 1 1 87 87 LEU N N 87 120.712 120.712 119.291 1.421 19946 2764 1 6 . 1 1 87 87 LEU HA H 87 5.295 5.295 4.880 0.415 19946 2765 1 6 . 1 1 87 87 LEU CA C 87 51.810 51.810 53.869 -2.059 19946 2766 1 6 . 1 1 87 87 LEU CB C 87 42.059 42.059 44.321 -2.262 19946 2767 1 6 . 1 1 87 87 LEU H H 87 8.785 8.785 8.285 0.500 19946 2768 1 6 . 1 1 88 88 LEU N N 88 124.779 124.779 121.823 2.956 19946 2769 1 6 . 1 1 88 88 LEU HA H 88 4.434 4.434 4.780 -0.346 19946 2770 1 6 . 1 1 88 88 LEU CA C 88 54.331 54.331 53.517 0.814 19946 2771 1 6 . 1 1 88 88 LEU CB C 88 42.648 42.648 44.687 -2.039 19946 2772 1 6 . 1 1 88 88 LEU H H 88 8.243 8.243 8.539 -0.296 19946 2773 1 6 . 1 1 89 89 GLU N N 89 112.478 112.478 126.132 -13.654 19946 2774 1 6 . 1 1 89 89 GLU HA H 89 3.881 3.881 3.954 -0.073 19946 2775 1 6 . 1 1 89 89 GLU H H 89 9.343 9.343 8.323 1.020 19946 2776 1 6 . 1 1 90 90 ASP N N 90 120.709 120.709 112.772 7.937 19946 2777 1 6 . 1 1 90 90 ASP HA H 90 4.168 4.168 4.969 -0.801 19946 2778 1 6 . 1 1 90 90 ASP H H 90 9.062 9.062 7.631 1.431 19946 2779 1 6 . 1 1 91 91 GLY N N 91 105.049 105.049 110.431 -5.382 19946 2780 1 6 . 1 1 91 91 GLY CA C 91 46.263 46.263 46.376 -0.113 19946 2781 1 6 . 1 1 91 91 GLY H H 91 7.848 7.848 8.635 -0.787 19946 2782 1 6 . 1 1 92 92 ILE N N 92 122.127 122.127 121.294 0.833 19946 2783 1 6 . 1 1 92 92 ILE HA H 92 3.811 3.811 3.808 0.003 19946 2784 1 6 . 1 1 92 92 ILE CA C 92 62.656 62.656 64.520 -1.864 19946 2785 1 6 . 1 1 92 92 ILE CB C 92 37.243 37.243 37.021 0.222 19946 2786 1 6 . 1 1 92 92 ILE H H 92 8.077 8.077 8.046 0.031 19946 2787 1 6 . 1 1 93 93 ASP N N 93 127.038 127.038 118.656 8.382 19946 2788 1 6 . 1 1 93 93 ASP HA H 93 4.452 4.452 4.489 -0.037 19946 2789 1 6 . 1 1 93 93 ASP CA C 93 57.357 57.357 56.589 0.768 19946 2790 1 6 . 1 1 93 93 ASP CB C 93 38.194 38.194 40.182 -1.988 19946 2791 1 6 . 1 1 93 93 ASP H H 93 9.094 9.094 8.664 0.430 19946 2792 1 6 . 1 1 94 94 GLY N N 94 111.411 111.411 106.889 4.522 19946 2793 1 6 . 1 1 94 94 GLY CA C 94 44.750 44.750 46.116 -1.366 19946 2794 1 6 . 1 1 94 94 GLY H H 94 8.047 8.047 8.099 -0.052 19946 2795 1 6 . 1 1 95 95 TRP N N 95 127.574 127.574 125.259 2.315 19946 2796 1 6 . 1 1 95 95 TRP HA H 95 3.738 3.738 4.346 -0.608 19946 2797 1 6 . 1 1 95 95 TRP CA C 95 60.852 60.852 58.971 1.881 19946 2798 1 6 . 1 1 95 95 TRP CB C 95 28.613 28.613 30.060 -1.447 19946 2799 1 6 . 1 1 95 95 TRP H H 95 7.918 7.918 7.883 0.035 19946 2800 1 6 . 1 1 96 96 LYS N N 96 117.374 117.374 117.883 -0.509 19946 2801 1 6 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.165 -0.086 19946 2802 1 6 . 1 1 96 96 LYS CA C 96 59.091 59.091 57.243 1.847 19946 2803 1 6 . 1 1 96 96 LYS H H 96 8.625 8.625 8.592 0.033 19946 2804 1 6 . 1 1 97 97 LYS N N 97 123.490 123.490 121.659 1.831 19946 2805 1 6 . 1 1 97 97 LYS HA H 97 4.021 4.021 4.085 -0.064 19946 2806 1 6 . 1 1 97 97 LYS CB C 97 31.542 31.542 32.434 -0.892 19946 2807 1 6 . 1 1 97 97 LYS H H 97 8.233 8.233 7.842 0.391 19946 2808 1 6 . 1 1 98 98 ALA N N 98 120.321 120.321 119.230 1.091 19946 2809 1 6 . 1 1 98 98 ALA HA H 98 4.248 4.248 4.579 -0.331 19946 2810 1 6 . 1 1 98 98 ALA CA C 98 51.305 51.305 51.255 0.050 19946 2811 1 6 . 1 1 98 98 ALA CB C 98 17.744 17.744 18.705 -0.961 19946 2812 1 6 . 1 1 98 98 ALA H H 98 7.480 7.480 7.211 0.269 19946 2813 1 6 . 1 1 99 99 GLY N N 99 106.984 106.984 108.319 -1.335 19946 2814 1 6 . 1 1 99 99 GLY CA C 99 44.246 44.246 45.707 -1.461 19946 2815 1 6 . 1 1 99 99 GLY H H 99 7.867 7.867 7.931 -0.064 19946 2816 1 6 . 1 1 100 100 LEU N N 100 122.993 122.993 120.508 2.485 19946 2817 1 6 . 1 1 100 100 LEU HA H 100 4.277 4.277 4.334 -0.057 19946 2818 1 6 . 1 1 100 100 LEU CA C 100 52.314 52.314 50.729 1.585 19946 2819 1 6 . 1 1 100 100 LEU CB C 100 36.786 36.786 41.371 -4.585 19946 2820 1 6 . 1 1 100 100 LEU H H 100 6.958 6.958 7.108 -0.150 19946 2821 1 6 . 1 1 101 101 PRO HA H 101 4.492 4.492 4.593 -0.101 19946 2822 1 6 . 1 1 101 101 PRO CB C 101 32.097 32.097 32.182 -0.085 19946 2823 1 6 . 1 1 102 102 VAL N N 102 111.514 111.514 116.487 -4.973 19946 2824 1 6 . 1 1 102 102 VAL HA H 102 4.367 4.367 4.305 0.062 19946 2825 1 6 . 1 1 102 102 VAL CA C 102 58.869 58.869 61.056 -2.187 19946 2826 1 6 . 1 1 102 102 VAL CB C 102 35.351 35.351 32.373 2.978 19946 2827 1 6 . 1 1 102 102 VAL H H 102 7.988 7.988 8.593 -0.605 19946 2828 1 6 . 1 1 103 103 ALA N N 103 126.676 126.676 123.278 3.398 19946 2829 1 6 . 1 1 103 103 ALA HA H 103 4.524 4.524 4.333 0.191 19946 2830 1 6 . 1 1 103 103 ALA CA C 103 49.793 49.793 51.844 -2.051 19946 2831 1 6 . 1 1 103 103 ALA CB C 103 18.600 18.600 17.270 1.330 19946 2832 1 6 . 1 1 103 103 ALA H H 103 8.919 8.919 7.750 1.169 19946 2833 1 6 . 1 1 104 104 VAL N N 104 121.148 121.148 122.202 -1.054 19946 2834 1 6 . 1 1 104 104 VAL HA H 104 4.475 4.475 4.360 0.115 19946 2835 1 6 . 1 1 104 104 VAL CA C 104 59.374 59.374 60.525 -1.151 19946 2836 1 6 . 1 1 104 104 VAL CB C 104 33.884 33.884 33.644 0.240 19946 2837 1 6 . 1 1 104 104 VAL H H 104 8.241 8.241 7.612 0.629 19946 2838 1 6 . 1 1 105 105 ASN N N 105 123.816 123.816 121.253 2.563 19946 2839 1 6 . 1 1 105 105 ASN HA H 105 4.674 4.674 4.577 0.097 19946 2840 1 6 . 1 1 105 105 ASN CA C 105 53.200 53.200 54.044 -0.844 19946 2841 1 6 . 1 1 105 105 ASN CB C 105 37.959 37.959 38.185 -0.226 19946 2842 1 6 . 1 1 105 105 ASN H H 105 8.150 8.150 8.542 -0.392 19946 2843 1 6 . 1 1 106 106 LYS N N 106 123.804 123.804 124.296 -0.492 19946 2844 1 6 . 1 1 106 106 LYS H H 106 8.340 8.340 8.857 -0.517 19946 2845 1 7 . 1 1 2 2 LEU N N 2 120.763 120.763 121.986 -1.223 19946 2846 1 7 . 1 1 2 2 LEU HA H 2 4.384 4.384 4.204 0.180 19946 2847 1 7 . 1 1 2 2 LEU CA C 2 53.827 53.827 55.454 -1.627 19946 2848 1 7 . 1 1 2 2 LEU CB C 2 42.229 42.229 40.782 1.447 19946 2849 1 7 . 1 1 2 2 LEU H H 2 7.888 7.888 8.494 -0.606 19946 2850 1 7 . 1 1 3 3 THR N N 3 118.330 118.330 120.051 -1.721 19946 2851 1 7 . 1 1 3 3 THR HA H 3 4.469 4.469 4.519 -0.050 19946 2852 1 7 . 1 1 3 3 THR CA C 3 61.391 61.391 60.564 0.827 19946 2853 1 7 . 1 1 3 3 THR CB C 3 69.496 69.496 71.086 -1.590 19946 2854 1 7 . 1 1 3 3 THR H H 3 7.905 7.905 7.532 0.373 19946 2855 1 7 . 1 1 4 4 THR N N 4 122.024 122.024 117.623 4.401 19946 2856 1 7 . 1 1 4 4 THR HA H 4 5.171 5.171 5.829 -0.658 19946 2857 1 7 . 1 1 4 4 THR CA C 4 61.595 61.595 60.890 0.705 19946 2858 1 7 . 1 1 4 4 THR CB C 4 69.027 69.027 70.562 -1.535 19946 2859 1 7 . 1 1 4 4 THR H H 4 8.504 8.504 8.411 0.093 19946 2860 1 7 . 1 1 5 5 ILE N N 5 122.667 122.667 118.870 3.797 19946 2861 1 7 . 1 1 5 5 ILE HA H 5 4.973 4.973 4.689 0.284 19946 2862 1 7 . 1 1 5 5 ILE CA C 5 57.971 57.971 59.280 -1.309 19946 2863 1 7 . 1 1 5 5 ILE CB C 5 41.458 41.458 39.772 1.686 19946 2864 1 7 . 1 1 5 5 ILE H H 5 8.903 8.903 8.149 0.754 19946 2865 1 7 . 1 1 6 6 SER N N 6 123.156 123.156 115.124 8.032 19946 2866 1 7 . 1 1 6 6 SER HA H 6 4.785 4.785 5.013 -0.228 19946 2867 1 7 . 1 1 6 6 SER H H 6 9.138 9.138 8.362 0.776 19946 2868 1 7 . 1 1 7 7 PRO HA H 7 4.004 4.004 4.518 -0.514 19946 2869 1 7 . 1 1 7 7 PRO CA C 7 65.510 65.510 65.446 0.064 19946 2870 1 7 . 1 1 7 7 PRO CB C 7 30.924 30.924 32.234 -1.310 19946 2871 1 7 . 1 1 8 8 HIS N N 8 114.319 114.319 117.726 -3.407 19946 2872 1 7 . 1 1 8 8 HIS HA H 8 3.989 3.989 4.372 -0.383 19946 2873 1 7 . 1 1 8 8 HIS CA C 8 60.050 60.050 58.150 1.900 19946 2874 1 7 . 1 1 8 8 HIS CB C 8 28.613 28.613 29.772 -1.159 19946 2875 1 7 . 1 1 8 8 HIS H H 8 8.127 8.127 8.439 -0.312 19946 2876 1 7 . 1 1 9 9 ASP N N 9 121.300 121.300 117.419 3.881 19946 2877 1 7 . 1 1 9 9 ASP HA H 9 4.301 4.301 4.607 -0.306 19946 2878 1 7 . 1 1 9 9 ASP CA C 9 56.455 56.455 55.916 0.539 19946 2879 1 7 . 1 1 9 9 ASP CB C 9 38.699 38.699 40.913 -2.214 19946 2880 1 7 . 1 1 9 9 ASP H H 9 7.639 7.639 8.295 -0.656 19946 2881 1 7 . 1 1 10 10 ALA N N 10 123.991 123.991 123.557 0.434 19946 2882 1 7 . 1 1 10 10 ALA HA H 10 3.719 3.719 4.086 -0.367 19946 2883 1 7 . 1 1 10 10 ALA CA C 10 54.331 54.331 54.797 -0.466 19946 2884 1 7 . 1 1 10 10 ALA CB C 10 17.549 17.549 18.316 -0.767 19946 2885 1 7 . 1 1 10 10 ALA H H 10 8.820 8.820 7.726 1.094 19946 2886 1 7 . 1 1 11 11 GLN N N 11 118.128 118.128 116.814 1.314 19946 2887 1 7 . 1 1 11 11 GLN HA H 11 3.933 3.933 4.163 -0.230 19946 2888 1 7 . 1 1 11 11 GLN CA C 11 59.389 59.389 57.510 1.879 19946 2889 1 7 . 1 1 11 11 GLN CB C 11 27.948 27.948 28.690 -0.742 19946 2890 1 7 . 1 1 11 11 GLN H H 11 8.353 8.353 8.341 0.012 19946 2891 1 7 . 1 1 12 12 GLU N N 12 119.307 119.307 119.010 0.297 19946 2892 1 7 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.273 -0.250 19946 2893 1 7 . 1 1 12 12 GLU CA C 12 58.476 58.476 57.058 1.418 19946 2894 1 7 . 1 1 12 12 GLU CB C 12 28.532 28.532 30.400 -1.868 19946 2895 1 7 . 1 1 12 12 GLU H H 12 7.197 7.197 8.043 -0.846 19946 2896 1 7 . 1 1 13 13 LEU N N 13 120.635 120.635 118.430 2.205 19946 2897 1 7 . 1 1 13 13 LEU HA H 13 3.821 3.821 4.127 -0.306 19946 2898 1 7 . 1 1 13 13 LEU CA C 13 57.065 57.065 57.436 -0.371 19946 2899 1 7 . 1 1 13 13 LEU CB C 13 40.890 40.890 42.085 -1.195 19946 2900 1 7 . 1 1 13 13 LEU H H 13 7.554 7.554 7.380 0.174 19946 2901 1 7 . 1 1 14 14 ILE N N 14 123.021 123.021 119.513 3.508 19946 2902 1 7 . 1 1 14 14 ILE HA H 14 3.827 3.827 3.792 0.035 19946 2903 1 7 . 1 1 14 14 ILE CA C 14 64.053 64.053 64.698 -0.645 19946 2904 1 7 . 1 1 14 14 ILE CB C 14 38.115 38.115 37.789 0.326 19946 2905 1 7 . 1 1 14 14 ILE H H 14 8.710 8.710 7.962 0.748 19946 2906 1 7 . 1 1 15 15 ALA N N 15 124.504 124.504 118.232 6.272 19946 2907 1 7 . 1 1 15 15 ALA HA H 15 4.115 4.115 4.173 -0.058 19946 2908 1 7 . 1 1 15 15 ALA CA C 15 54.257 54.257 53.287 0.970 19946 2909 1 7 . 1 1 15 15 ALA CB C 15 17.040 17.040 18.663 -1.623 19946 2910 1 7 . 1 1 15 15 ALA H H 15 7.758 7.758 8.156 -0.398 19946 2911 1 7 . 1 1 16 16 ARG N N 16 115.990 115.990 117.199 -1.209 19946 2912 1 7 . 1 1 16 16 ARG HA H 16 4.348 4.348 4.367 -0.019 19946 2913 1 7 . 1 1 16 16 ARG CA C 16 55.416 55.416 56.676 -1.260 19946 2914 1 7 . 1 1 16 16 ARG CB C 16 29.762 29.762 31.351 -1.589 19946 2915 1 7 . 1 1 16 16 ARG H H 16 7.252 7.252 7.804 -0.552 19946 2916 1 7 . 1 1 17 17 GLY N N 17 107.981 107.981 105.408 2.573 19946 2917 1 7 . 1 1 17 17 GLY CA C 17 44.854 44.854 44.911 -0.057 19946 2918 1 7 . 1 1 17 17 GLY H H 17 7.748 7.748 7.616 0.132 19946 2919 1 7 . 1 1 18 18 ALA N N 18 123.914 123.914 123.865 0.049 19946 2920 1 7 . 1 1 18 18 ALA HA H 18 4.221 4.221 4.101 0.120 19946 2921 1 7 . 1 1 18 18 ALA CA C 18 52.270 52.270 52.336 -0.066 19946 2922 1 7 . 1 1 18 18 ALA CB C 18 18.638 18.638 19.938 -1.300 19946 2923 1 7 . 1 1 18 18 ALA H H 18 7.940 7.940 7.987 -0.047 19946 2924 1 7 . 1 1 19 19 LYS N N 19 119.436 119.436 120.045 -0.609 19946 2925 1 7 . 1 1 19 19 LYS HA H 19 4.301 4.301 4.471 -0.170 19946 2926 1 7 . 1 1 19 19 LYS CA C 19 53.105 53.105 54.956 -1.851 19946 2927 1 7 . 1 1 19 19 LYS CB C 19 32.856 32.856 36.004 -3.148 19946 2928 1 7 . 1 1 19 19 LYS H H 19 7.565 7.565 8.300 -0.735 19946 2929 1 7 . 1 1 20 20 LEU N N 20 127.401 127.401 120.660 6.741 19946 2930 1 7 . 1 1 20 20 LEU HA H 20 5.042 5.042 4.847 0.195 19946 2931 1 7 . 1 1 20 20 LEU CA C 20 52.314 52.314 53.394 -1.080 19946 2932 1 7 . 1 1 20 20 LEU CB C 20 43.234 43.234 46.106 -2.872 19946 2933 1 7 . 1 1 20 20 LEU H H 20 8.727 8.727 8.212 0.515 19946 2934 1 7 . 1 1 21 21 ILE N N 21 128.186 128.186 121.742 6.444 19946 2935 1 7 . 1 1 21 21 ILE HA H 21 4.547 4.547 4.343 0.204 19946 2936 1 7 . 1 1 21 21 ILE CA C 21 59.589 59.589 58.775 0.814 19946 2937 1 7 . 1 1 21 21 ILE CB C 21 38.545 38.545 39.475 -0.930 19946 2938 1 7 . 1 1 21 21 ILE H H 21 9.366 9.366 7.825 1.541 19946 2939 1 7 . 1 1 22 22 ASP N N 22 129.968 129.968 125.402 4.566 19946 2940 1 7 . 1 1 22 22 ASP HA H 22 3.803 3.803 5.083 -1.280 19946 2941 1 7 . 1 1 22 22 ASP CA C 22 51.435 51.435 53.484 -2.049 19946 2942 1 7 . 1 1 22 22 ASP CB C 22 42.062 42.062 42.593 -0.531 19946 2943 1 7 . 1 1 22 22 ASP H H 22 8.583 8.583 8.207 0.376 19946 2944 1 7 . 1 1 23 23 ILE N N 23 116.266 116.266 114.647 1.619 19946 2945 1 7 . 1 1 23 23 ILE HA H 23 5.229 5.229 4.551 0.678 19946 2946 1 7 . 1 1 23 23 ILE CA C 23 59.374 59.374 60.319 -0.945 19946 2947 1 7 . 1 1 23 23 ILE CB C 23 37.327 37.327 37.920 -0.593 19946 2948 1 7 . 1 1 23 23 ILE H H 23 7.836 7.836 7.814 0.022 19946 2949 1 7 . 1 1 24 24 ARG N N 24 125.001 125.001 120.507 4.494 19946 2950 1 7 . 1 1 24 24 ARG HA H 24 4.116 4.116 4.504 -0.388 19946 2951 1 7 . 1 1 24 24 ARG CA C 24 55.943 55.943 54.325 1.618 19946 2952 1 7 . 1 1 24 24 ARG CB C 24 30.135 30.135 32.258 -2.123 19946 2953 1 7 . 1 1 24 24 ARG H H 24 8.195 8.195 7.492 0.703 19946 2954 1 7 . 1 1 25 25 ASP N N 25 112.839 112.839 119.692 -6.853 19946 2955 1 7 . 1 1 25 25 ASP HA H 25 4.545 4.545 4.722 -0.177 19946 2956 1 7 . 1 1 25 25 ASP CA C 25 53.870 53.870 53.868 0.002 19946 2957 1 7 . 1 1 25 25 ASP CB C 25 41.327 41.327 41.268 0.059 19946 2958 1 7 . 1 1 25 25 ASP H H 25 7.660 7.660 8.599 -0.939 19946 2959 1 7 . 1 1 26 26 ALA N N 26 122.145 122.145 121.638 0.507 19946 2960 1 7 . 1 1 26 26 ALA HA H 26 3.897 3.897 4.209 -0.312 19946 2961 1 7 . 1 1 26 26 ALA CA C 26 54.958 54.958 55.024 -0.066 19946 2962 1 7 . 1 1 26 26 ALA CB C 26 17.520 17.520 18.962 -1.442 19946 2963 1 7 . 1 1 26 26 ALA H H 26 8.766 8.766 8.298 0.468 19946 2964 1 7 . 1 1 27 27 ASP N N 27 115.380 115.380 118.661 -3.281 19946 2965 1 7 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.325 -0.026 19946 2966 1 7 . 1 1 27 27 ASP CA C 27 56.451 56.451 57.357 -0.906 19946 2967 1 7 . 1 1 27 27 ASP CB C 27 39.156 39.156 39.873 -0.717 19946 2968 1 7 . 1 1 27 27 ASP H H 27 8.686 8.686 8.554 0.132 19946 2969 1 7 . 1 1 28 28 GLU N N 28 120.081 120.081 117.845 2.236 19946 2970 1 7 . 1 1 28 28 GLU HA H 28 4.086 4.086 4.066 0.020 19946 2971 1 7 . 1 1 28 28 GLU CA C 28 58.389 58.389 59.227 -0.838 19946 2972 1 7 . 1 1 28 28 GLU CB C 28 28.728 28.728 29.367 -0.639 19946 2973 1 7 . 1 1 28 28 GLU H H 28 7.397 7.397 8.783 -1.386 19946 2974 1 7 . 1 1 29 29 TYR N N 29 121.205 121.205 120.140 1.065 19946 2975 1 7 . 1 1 29 29 TYR HA H 29 4.083 4.083 4.783 -0.700 19946 2976 1 7 . 1 1 29 29 TYR CA C 29 60.378 60.378 59.543 0.835 19946 2977 1 7 . 1 1 29 29 TYR CB C 29 38.699 38.699 38.626 0.073 19946 2978 1 7 . 1 1 29 29 TYR H H 29 7.506 7.506 8.241 -0.735 19946 2979 1 7 . 1 1 30 30 LEU N N 30 118.828 118.828 118.312 0.516 19946 2980 1 7 . 1 1 30 30 LEU HA H 30 3.850 3.850 3.929 -0.079 19946 2981 1 7 . 1 1 30 30 LEU CA C 30 56.348 56.348 57.350 -1.002 19946 2982 1 7 . 1 1 30 30 LEU CB C 30 41.220 41.220 42.051 -0.831 19946 2983 1 7 . 1 1 30 30 LEU H H 30 8.211 8.211 8.211 -0.000 19946 2984 1 7 . 1 1 31 31 ARG N N 31 118.220 118.220 115.939 2.281 19946 2985 1 7 . 1 1 31 31 ARG HA H 31 4.101 4.101 4.323 -0.222 19946 2986 1 7 . 1 1 31 31 ARG CA C 31 58.365 58.365 56.843 1.522 19946 2987 1 7 . 1 1 31 31 ARG CB C 31 30.074 30.074 32.324 -2.250 19946 2988 1 7 . 1 1 31 31 ARG H H 31 7.120 7.120 7.363 -0.243 19946 2989 1 7 . 1 1 32 32 GLU N N 32 117.980 117.980 118.550 -0.570 19946 2990 1 7 . 1 1 32 32 GLU HA H 32 4.884 4.884 5.177 -0.293 19946 2991 1 7 . 1 1 32 32 GLU CA C 32 55.339 55.339 55.333 0.006 19946 2992 1 7 . 1 1 32 32 GLU CB C 32 31.698 31.698 31.552 0.146 19946 2993 1 7 . 1 1 32 32 GLU H H 32 7.506 7.506 8.240 -0.734 19946 2994 1 7 . 1 1 33 33 HIS N N 33 118.257 118.257 116.431 1.826 19946 2995 1 7 . 1 1 33 33 HIS HA H 33 4.643 4.643 4.865 -0.222 19946 2996 1 7 . 1 1 33 33 HIS CA C 33 53.766 53.766 56.160 -2.394 19946 2997 1 7 . 1 1 33 33 HIS CB C 33 29.940 29.940 30.856 -0.916 19946 2998 1 7 . 1 1 33 33 HIS H H 33 8.269 8.269 7.947 0.322 19946 2999 1 7 . 1 1 34 34 ILE N N 34 127.809 127.809 118.951 8.858 19946 3000 1 7 . 1 1 34 34 ILE HA H 34 3.920 3.920 4.301 -0.381 19946 3001 1 7 . 1 1 34 34 ILE CA C 34 59.648 59.648 57.452 2.196 19946 3002 1 7 . 1 1 34 34 ILE CB C 34 37.959 37.959 42.435 -4.476 19946 3003 1 7 . 1 1 34 34 ILE H H 34 9.989 9.989 8.093 1.896 19946 3004 1 7 . 1 1 35 35 PRO HA H 35 4.198 4.198 4.246 -0.048 19946 3005 1 7 . 1 1 36 36 GLU N N 36 114.414 114.414 122.008 -7.594 19946 3006 1 7 . 1 1 36 36 GLU HA H 36 4.082 4.082 3.874 0.208 19946 3007 1 7 . 1 1 36 36 GLU CA C 36 57.861 57.861 56.941 0.920 19946 3008 1 7 . 1 1 36 36 GLU CB C 36 28.109 28.109 28.897 -0.788 19946 3009 1 7 . 1 1 36 36 GLU H H 36 8.557 8.557 8.252 0.305 19946 3010 1 7 . 1 1 37 37 ALA N N 37 122.882 122.882 121.920 0.962 19946 3011 1 7 . 1 1 37 37 ALA HA H 37 4.439 4.439 4.694 -0.255 19946 3012 1 7 . 1 1 37 37 ALA CA C 37 52.005 52.005 51.610 0.395 19946 3013 1 7 . 1 1 37 37 ALA CB C 37 20.438 20.438 22.144 -1.706 19946 3014 1 7 . 1 1 37 37 ALA H H 37 8.096 8.096 8.074 0.022 19946 3015 1 7 . 1 1 38 38 ASP N N 38 124.471 124.471 119.356 5.115 19946 3016 1 7 . 1 1 38 38 ASP HA H 38 4.844 4.844 4.946 -0.102 19946 3017 1 7 . 1 1 38 38 ASP CA C 38 52.614 52.614 53.621 -1.007 19946 3018 1 7 . 1 1 38 38 ASP CB C 38 44.407 44.407 44.128 0.279 19946 3019 1 7 . 1 1 38 38 ASP H H 38 9.004 9.004 8.202 0.802 19946 3020 1 7 . 1 1 39 39 LEU N N 39 123.936 123.936 121.910 2.026 19946 3021 1 7 . 1 1 39 39 LEU HA H 39 4.328 4.328 4.401 -0.073 19946 3022 1 7 . 1 1 39 39 LEU CA C 39 54.037 54.037 54.959 -0.923 19946 3023 1 7 . 1 1 39 39 LEU CB C 39 41.220 41.220 40.273 0.947 19946 3024 1 7 . 1 1 39 39 LEU H H 39 8.125 8.125 7.982 0.143 19946 3025 1 7 . 1 1 40 40 ALA N N 40 131.297 131.297 126.524 4.773 19946 3026 1 7 . 1 1 40 40 ALA HA H 40 4.408 4.408 4.660 -0.252 19946 3027 1 7 . 1 1 40 40 ALA CA C 40 48.784 48.784 50.472 -1.688 19946 3028 1 7 . 1 1 40 40 ALA CB C 40 17.979 17.979 20.096 -2.117 19946 3029 1 7 . 1 1 40 40 ALA H H 40 8.654 8.654 8.834 -0.180 19946 3030 1 7 . 1 1 41 41 PRO HA H 41 4.101 4.101 4.680 -0.579 19946 3031 1 7 . 1 1 41 41 PRO CA C 41 61.391 61.391 62.229 -0.838 19946 3032 1 7 . 1 1 41 41 PRO CB C 41 32.097 32.097 32.637 -0.540 19946 3033 1 7 . 1 1 42 42 LEU N N 42 125.312 125.312 119.697 5.615 19946 3034 1 7 . 1 1 42 42 LEU HA H 42 3.871 3.871 3.836 0.035 19946 3035 1 7 . 1 1 42 42 LEU CA C 42 57.861 57.861 58.396 -0.535 19946 3036 1 7 . 1 1 42 42 LEU CB C 42 40.941 40.941 41.086 -0.145 19946 3037 1 7 . 1 1 42 42 LEU H H 42 8.285 8.285 8.513 -0.228 19946 3038 1 7 . 1 1 43 43 SER N N 43 110.669 110.669 114.325 -3.656 19946 3039 1 7 . 1 1 43 43 SER HA H 43 4.106 4.106 4.104 0.002 19946 3040 1 7 . 1 1 43 43 SER CA C 43 60.497 60.497 62.146 -1.649 19946 3041 1 7 . 1 1 43 43 SER CB C 43 61.391 61.391 62.499 -1.108 19946 3042 1 7 . 1 1 43 43 SER H H 43 8.453 8.453 8.111 0.342 19946 3043 1 7 . 1 1 44 44 VAL N N 44 123.933 123.933 122.945 0.988 19946 3044 1 7 . 1 1 44 44 VAL HA H 44 3.821 3.821 3.794 0.027 19946 3045 1 7 . 1 1 44 44 VAL CA C 44 64.752 64.752 66.265 -1.513 19946 3046 1 7 . 1 1 44 44 VAL CB C 44 31.135 31.135 32.031 -0.896 19946 3047 1 7 . 1 1 44 44 VAL H H 44 7.156 7.156 8.060 -0.904 19946 3048 1 7 . 1 1 45 45 LEU N N 45 121.150 121.150 119.038 2.112 19946 3049 1 7 . 1 1 45 45 LEU HA H 45 3.767 3.767 4.022 -0.255 19946 3050 1 7 . 1 1 45 45 LEU CA C 45 56.599 56.599 57.786 -1.187 19946 3051 1 7 . 1 1 45 45 LEU CB C 45 40.890 40.890 41.251 -0.361 19946 3052 1 7 . 1 1 45 45 LEU H H 45 7.997 7.997 8.757 -0.760 19946 3053 1 7 . 1 1 46 46 GLU N N 46 116.256 116.256 119.362 -3.106 19946 3054 1 7 . 1 1 46 46 GLU HA H 46 3.678 3.678 4.262 -0.584 19946 3055 1 7 . 1 1 46 46 GLU CA C 46 58.365 58.365 58.397 -0.032 19946 3056 1 7 . 1 1 46 46 GLU CB C 46 29.622 29.622 29.792 -0.170 19946 3057 1 7 . 1 1 46 46 GLU H H 46 8.501 8.501 8.207 0.294 19946 3058 1 7 . 1 1 47 47 GLN N N 47 117.261 117.261 118.322 -1.061 19946 3059 1 7 . 1 1 47 47 GLN HA H 47 4.216 4.216 4.146 0.070 19946 3060 1 7 . 1 1 47 47 GLN CA C 47 56.852 56.852 58.162 -1.310 19946 3061 1 7 . 1 1 47 47 GLN CB C 47 29.119 29.119 29.322 -0.203 19946 3062 1 7 . 1 1 47 47 GLN H H 47 7.407 7.407 8.371 -0.964 19946 3063 1 7 . 1 1 48 48 SER N N 48 111.890 111.890 112.623 -0.733 19946 3064 1 7 . 1 1 48 48 SER HA H 48 4.641 4.641 4.420 0.221 19946 3065 1 7 . 1 1 48 48 SER CA C 48 57.956 57.956 59.305 -1.349 19946 3066 1 7 . 1 1 48 48 SER CB C 48 63.912 63.912 64.610 -0.698 19946 3067 1 7 . 1 1 48 48 SER H H 48 8.566 8.566 8.253 0.313 19946 3068 1 7 . 1 1 49 49 GLY N N 49 111.545 111.545 110.135 1.410 19946 3069 1 7 . 1 1 49 49 GLY CA C 49 43.894 43.894 44.468 -0.574 19946 3070 1 7 . 1 1 49 49 GLY H H 49 7.836 7.836 7.871 -0.035 19946 3071 1 7 . 1 1 50 50 LEU N N 50 121.541 121.541 123.138 -1.597 19946 3072 1 7 . 1 1 50 50 LEU HA H 50 4.239 4.239 4.321 -0.082 19946 3073 1 7 . 1 1 50 50 LEU CA C 50 51.985 51.985 54.419 -2.434 19946 3074 1 7 . 1 1 50 50 LEU CB C 50 42.648 42.648 42.200 0.448 19946 3075 1 7 . 1 1 50 50 LEU H H 50 8.564 8.564 8.504 0.060 19946 3076 1 7 . 1 1 51 51 PRO HA H 51 4.243 4.243 4.551 -0.308 19946 3077 1 7 . 1 1 51 51 PRO CB C 51 31.639 31.639 32.616 -0.977 19946 3078 1 7 . 1 1 52 52 ALA N N 52 127.008 127.008 128.212 -1.204 19946 3079 1 7 . 1 1 52 52 ALA HA H 52 3.790 3.790 4.069 -0.279 19946 3080 1 7 . 1 1 52 52 ALA CA C 52 54.835 54.835 55.171 -0.336 19946 3081 1 7 . 1 1 52 52 ALA CB C 52 17.715 17.715 18.586 -0.871 19946 3082 1 7 . 1 1 52 52 ALA H H 52 8.564 8.564 8.646 -0.082 19946 3083 1 7 . 1 1 53 53 LYS N N 53 114.535 114.535 116.552 -2.017 19946 3084 1 7 . 1 1 53 53 LYS HA H 53 4.106 4.106 4.130 -0.024 19946 3085 1 7 . 1 1 53 53 LYS CA C 53 56.852 56.852 58.219 -1.367 19946 3086 1 7 . 1 1 53 53 LYS CB C 53 31.386 31.386 31.776 -0.390 19946 3087 1 7 . 1 1 53 53 LYS H H 53 8.364 8.364 8.693 -0.329 19946 3088 1 7 . 1 1 54 54 LEU N N 54 118.515 118.515 117.927 0.588 19946 3089 1 7 . 1 1 54 54 LEU HA H 54 4.247 4.247 4.477 -0.230 19946 3090 1 7 . 1 1 54 54 LEU CA C 54 53.338 53.338 53.645 -0.307 19946 3091 1 7 . 1 1 54 54 LEU CB C 54 40.890 40.890 42.599 -1.709 19946 3092 1 7 . 1 1 54 54 LEU H H 54 7.745 7.745 7.370 0.375 19946 3093 1 7 . 1 1 55 55 ARG N N 55 117.612 117.612 121.052 -3.440 19946 3094 1 7 . 1 1 55 55 ARG HA H 55 3.927 3.927 4.622 -0.695 19946 3095 1 7 . 1 1 55 55 ARG CA C 55 56.832 56.832 55.425 1.407 19946 3096 1 7 . 1 1 55 55 ARG CB C 55 28.610 28.610 32.435 -3.825 19946 3097 1 7 . 1 1 55 55 ARG H H 55 6.938 6.938 8.179 -1.241 19946 3098 1 7 . 1 1 56 56 HIS N N 56 123.269 123.269 123.107 0.162 19946 3099 1 7 . 1 1 56 56 HIS HA H 56 4.614 4.614 4.766 -0.152 19946 3100 1 7 . 1 1 56 56 HIS CA C 56 54.835 54.835 55.336 -0.501 19946 3101 1 7 . 1 1 56 56 HIS CB C 56 32.648 32.648 32.371 0.277 19946 3102 1 7 . 1 1 56 56 HIS H H 56 7.237 7.237 8.589 -1.352 19946 3103 1 7 . 1 1 57 57 GLU N N 57 120.895 120.895 119.020 1.875 19946 3104 1 7 . 1 1 57 57 GLU HA H 57 3.976 3.976 4.296 -0.320 19946 3105 1 7 . 1 1 57 57 GLU CA C 57 58.871 58.871 58.269 0.602 19946 3106 1 7 . 1 1 57 57 GLU CB C 57 29.158 29.158 30.826 -1.668 19946 3107 1 7 . 1 1 57 57 GLU H H 57 7.625 7.625 8.500 -0.875 19946 3108 1 7 . 1 1 58 58 GLN N N 58 118.485 118.485 117.574 0.911 19946 3109 1 7 . 1 1 58 58 GLN HA H 58 5.425 5.425 5.136 0.289 19946 3110 1 7 . 1 1 58 58 GLN CA C 58 54.910 54.910 54.591 0.319 19946 3111 1 7 . 1 1 58 58 GLN CB C 58 32.285 32.285 30.245 2.040 19946 3112 1 7 . 1 1 58 58 GLN H H 58 8.335 8.335 8.211 0.124 19946 3113 1 7 . 1 1 59 59 ILE N N 59 123.505 123.505 121.785 1.720 19946 3114 1 7 . 1 1 59 59 ILE HA H 59 4.492 4.492 4.897 -0.405 19946 3115 1 7 . 1 1 59 59 ILE CA C 59 58.869 58.869 59.217 -0.348 19946 3116 1 7 . 1 1 59 59 ILE CB C 59 42.332 42.332 40.609 1.722 19946 3117 1 7 . 1 1 59 59 ILE H H 59 8.704 8.704 8.402 0.302 19946 3118 1 7 . 1 1 60 60 ILE N N 60 126.464 126.464 116.930 9.534 19946 3119 1 7 . 1 1 60 60 ILE HA H 60 4.954 4.954 4.734 0.220 19946 3120 1 7 . 1 1 60 60 ILE CA C 60 57.357 57.357 60.057 -2.700 19946 3121 1 7 . 1 1 60 60 ILE CB C 60 39.131 39.131 42.471 -3.340 19946 3122 1 7 . 1 1 60 60 ILE H H 60 9.006 9.006 7.614 1.392 19946 3123 1 7 . 1 1 61 61 PHE N N 61 124.441 124.441 121.206 3.235 19946 3124 1 7 . 1 1 61 61 PHE HA H 61 5.795 5.795 5.366 0.429 19946 3125 1 7 . 1 1 61 61 PHE CA C 61 56.131 56.131 56.739 -0.608 19946 3126 1 7 . 1 1 61 61 PHE CB C 61 42.879 42.879 43.542 -0.663 19946 3127 1 7 . 1 1 61 61 PHE H H 61 8.938 8.938 8.476 0.462 19946 3128 1 7 . 1 1 62 62 HIS N N 62 117.494 117.494 119.574 -2.080 19946 3129 1 7 . 1 1 62 62 HIS HA H 62 5.928 5.928 5.193 0.735 19946 3130 1 7 . 1 1 62 62 HIS CA C 62 53.322 53.322 55.259 -1.937 19946 3131 1 7 . 1 1 62 62 HIS CB C 62 35.673 35.673 32.524 3.149 19946 3132 1 7 . 1 1 62 62 HIS H H 62 9.230 9.230 8.668 0.562 19946 3133 1 7 . 1 1 63 63 CYS N N 63 120.220 120.220 122.967 -2.747 19946 3134 1 7 . 1 1 63 63 CYS HA H 63 5.033 5.033 4.184 0.849 19946 3135 1 7 . 1 1 63 63 CYS CA C 63 56.131 56.131 61.170 -5.039 19946 3136 1 7 . 1 1 63 63 CYS CB C 63 28.109 28.109 29.181 -1.072 19946 3137 1 7 . 1 1 63 63 CYS H H 63 8.131 8.131 9.011 -0.880 19946 3138 1 7 . 1 1 65 65 ALA N N 65 119.272 119.272 122.178 -2.906 19946 3139 1 7 . 1 1 65 65 ALA HA H 65 5.063 5.063 4.669 0.394 19946 3140 1 7 . 1 1 65 65 ALA CA C 65 49.793 49.793 51.913 -2.120 19946 3141 1 7 . 1 1 65 65 ALA CB C 65 19.775 19.775 18.909 0.866 19946 3142 1 7 . 1 1 65 65 ALA H H 65 8.967 8.967 8.093 0.874 19946 3143 1 7 . 1 1 66 66 GLY N N 66 113.296 113.296 109.319 3.977 19946 3144 1 7 . 1 1 66 66 GLY CA C 66 44.934 44.934 46.039 -1.105 19946 3145 1 7 . 1 1 66 66 GLY H H 66 8.778 8.778 8.387 0.391 19946 3146 1 7 . 1 1 67 67 LYS N N 67 121.300 121.300 120.178 1.122 19946 3147 1 7 . 1 1 67 67 LYS HA H 67 4.211 4.211 3.870 0.341 19946 3148 1 7 . 1 1 67 67 LYS H H 67 8.111 8.111 8.250 -0.139 19946 3149 1 7 . 1 1 68 68 ARG N N 68 126.092 126.092 121.224 4.868 19946 3150 1 7 . 1 1 68 68 ARG H H 68 9.067 9.067 8.347 0.720 19946 3151 1 7 . 1 1 69 69 THR N N 69 117.153 117.153 115.133 2.020 19946 3152 1 7 . 1 1 69 69 THR HA H 69 3.576 3.576 4.279 -0.703 19946 3153 1 7 . 1 1 69 69 THR CA C 69 65.397 65.397 62.501 2.896 19946 3154 1 7 . 1 1 69 69 THR CB C 69 66.938 66.938 68.917 -1.979 19946 3155 1 7 . 1 1 69 69 THR H H 69 10.233 10.233 8.226 2.007 19946 3156 1 7 . 1 1 70 70 SER N N 70 113.686 113.686 118.906 -5.220 19946 3157 1 7 . 1 1 70 70 SER HA H 70 4.091 4.091 4.175 -0.084 19946 3158 1 7 . 1 1 70 70 SER CA C 70 61.391 61.391 60.416 0.975 19946 3159 1 7 . 1 1 70 70 SER CB C 70 65.425 65.425 62.203 3.222 19946 3160 1 7 . 1 1 70 70 SER H H 70 7.322 7.322 8.416 -1.094 19946 3161 1 7 . 1 1 71 71 ASN N N 71 118.257 118.257 118.956 -0.699 19946 3162 1 7 . 1 1 71 71 ASN HA H 71 4.177 4.177 4.518 -0.341 19946 3163 1 7 . 1 1 71 71 ASN CA C 71 54.736 54.736 55.282 -0.546 19946 3164 1 7 . 1 1 71 71 ASN CB C 71 38.391 38.391 38.742 -0.351 19946 3165 1 7 . 1 1 71 71 ASN H H 71 7.863 7.863 8.443 -0.580 19946 3166 1 7 . 1 1 72 72 ASN N N 72 115.529 115.529 115.961 -0.432 19946 3167 1 7 . 1 1 72 72 ASN HA H 72 5.127 5.127 4.888 0.239 19946 3168 1 7 . 1 1 72 72 ASN CA C 72 52.173 52.173 53.190 -1.016 19946 3169 1 7 . 1 1 72 72 ASN CB C 72 39.165 39.165 38.831 0.334 19946 3170 1 7 . 1 1 72 72 ASN H H 72 7.238 7.238 7.781 -0.543 19946 3171 1 7 . 1 1 73 73 ALA N N 73 125.388 125.388 123.161 2.227 19946 3172 1 7 . 1 1 73 73 ALA HA H 73 3.639 3.639 4.064 -0.425 19946 3173 1 7 . 1 1 73 73 ALA CA C 73 56.133 56.133 54.091 2.042 19946 3174 1 7 . 1 1 73 73 ALA CB C 73 18.528 18.528 19.482 -0.954 19946 3175 1 7 . 1 1 73 73 ALA H H 73 7.081 7.081 7.467 -0.386 19946 3176 1 7 . 1 1 74 74 ASP N N 74 115.501 115.501 118.927 -3.426 19946 3177 1 7 . 1 1 74 74 ASP HA H 74 4.135 4.135 4.405 -0.270 19946 3178 1 7 . 1 1 74 74 ASP CA C 74 55.891 55.891 56.584 -0.694 19946 3179 1 7 . 1 1 74 74 ASP CB C 74 38.699 38.699 40.400 -1.701 19946 3180 1 7 . 1 1 74 74 ASP H H 74 8.346 8.346 8.501 -0.155 19946 3181 1 7 . 1 1 75 75 LYS N N 75 122.469 122.469 120.355 2.114 19946 3182 1 7 . 1 1 75 75 LYS HA H 75 4.024 4.024 4.079 -0.055 19946 3183 1 7 . 1 1 75 75 LYS CA C 75 57.861 57.861 58.992 -1.131 19946 3184 1 7 . 1 1 75 75 LYS CB C 75 31.660 31.660 32.223 -0.563 19946 3185 1 7 . 1 1 75 75 LYS H H 75 7.583 7.583 7.960 -0.377 19946 3186 1 7 . 1 1 76 76 LEU N N 76 119.196 119.196 119.085 0.111 19946 3187 1 7 . 1 1 76 76 LEU HA H 76 3.570 3.570 3.853 -0.283 19946 3188 1 7 . 1 1 76 76 LEU CA C 76 56.852 56.852 57.779 -0.927 19946 3189 1 7 . 1 1 76 76 LEU CB C 76 39.245 39.245 41.446 -2.200 19946 3190 1 7 . 1 1 76 76 LEU H H 76 8.069 8.069 7.435 0.634 19946 3191 1 7 . 1 1 77 77 ALA N N 77 120.302 120.302 120.318 -0.016 19946 3192 1 7 . 1 1 77 77 ALA HA H 77 3.985 3.985 4.046 -0.061 19946 3193 1 7 . 1 1 77 77 ALA CA C 77 53.794 53.794 54.434 -0.639 19946 3194 1 7 . 1 1 77 77 ALA CB C 77 17.353 17.353 18.465 -1.112 19946 3195 1 7 . 1 1 77 77 ALA H H 77 8.063 8.063 7.662 0.401 19946 3196 1 7 . 1 1 78 78 ALA N N 78 119.602 119.602 118.901 0.701 19946 3197 1 7 . 1 1 78 78 ALA HA H 78 4.138 4.138 4.246 -0.108 19946 3198 1 7 . 1 1 78 78 ALA CA C 78 54.049 54.049 53.503 0.546 19946 3199 1 7 . 1 1 78 78 ALA CB C 78 17.520 17.520 19.170 -1.650 19946 3200 1 7 . 1 1 78 78 ALA H H 78 7.274 7.274 7.482 -0.208 19946 3201 1 7 . 1 1 79 79 ILE N N 79 118.809 118.809 120.554 -1.745 19946 3202 1 7 . 1 1 79 79 ILE HA H 79 3.798 3.798 3.772 0.026 19946 3203 1 7 . 1 1 79 79 ILE CA C 79 63.354 63.354 63.896 -0.542 19946 3204 1 7 . 1 1 79 79 ILE CB C 79 38.422 38.422 38.723 -0.301 19946 3205 1 7 . 1 1 79 79 ILE H H 79 8.170 8.170 8.018 0.152 19946 3206 1 7 . 1 1 80 80 ALA N N 80 118.736 118.736 119.423 -0.687 19946 3207 1 7 . 1 1 80 80 ALA HA H 80 4.412 4.412 4.646 -0.234 19946 3208 1 7 . 1 1 80 80 ALA CA C 80 50.801 50.801 50.350 0.451 19946 3209 1 7 . 1 1 80 80 ALA CB C 80 19.537 19.537 18.245 1.292 19946 3210 1 7 . 1 1 80 80 ALA H H 80 7.857 7.857 7.792 0.065 19946 3211 1 7 . 1 1 81 81 ALA N N 81 124.485 124.485 122.551 1.934 19946 3212 1 7 . 1 1 81 81 ALA HA H 81 4.353 4.353 5.064 -0.711 19946 3213 1 7 . 1 1 81 81 ALA CA C 81 51.305 51.305 49.284 2.021 19946 3214 1 7 . 1 1 81 81 ALA CB C 81 16.511 16.511 18.556 -2.045 19946 3215 1 7 . 1 1 81 81 ALA H H 81 7.191 7.191 7.291 -0.100 19946 3216 1 7 . 1 1 82 82 PRO CA C 82 62.903 62.903 63.017 -0.114 19946 3217 1 7 . 1 1 83 83 ALA N N 83 128.367 128.367 122.410 5.957 19946 3218 1 7 . 1 1 83 83 ALA HA H 83 4.058 4.058 4.092 -0.034 19946 3219 1 7 . 1 1 83 83 ALA CA C 83 52.314 52.314 53.036 -0.722 19946 3220 1 7 . 1 1 83 83 ALA CB C 83 19.001 19.001 19.418 -0.417 19946 3221 1 7 . 1 1 83 83 ALA H H 83 8.472 8.472 7.654 0.818 19946 3222 1 7 . 1 1 84 84 GLU N N 84 122.108 122.108 123.213 -1.105 19946 3223 1 7 . 1 1 84 84 GLU HA H 84 4.164 4.164 4.528 -0.364 19946 3224 1 7 . 1 1 84 84 GLU CA C 84 55.937 55.937 56.634 -0.697 19946 3225 1 7 . 1 1 84 84 GLU CB C 84 30.213 30.213 30.256 -0.043 19946 3226 1 7 . 1 1 84 84 GLU H H 84 8.106 8.106 8.315 -0.209 19946 3227 1 7 . 1 1 85 85 ILE N N 85 122.808 122.808 123.609 -0.801 19946 3228 1 7 . 1 1 85 85 ILE HA H 85 5.211 5.211 4.772 0.439 19946 3229 1 7 . 1 1 85 85 ILE CA C 85 58.365 58.365 58.750 -0.385 19946 3230 1 7 . 1 1 85 85 ILE CB C 85 39.707 39.707 39.545 0.162 19946 3231 1 7 . 1 1 85 85 ILE H H 85 7.850 7.850 8.337 -0.487 19946 3232 1 7 . 1 1 86 86 PHE N N 86 122.937 122.937 120.379 2.558 19946 3233 1 7 . 1 1 86 86 PHE HA H 86 5.388 5.388 4.892 0.496 19946 3234 1 7 . 1 1 86 86 PHE CA C 86 54.509 54.509 57.092 -2.583 19946 3235 1 7 . 1 1 86 86 PHE CB C 86 42.878 42.878 43.786 -0.908 19946 3236 1 7 . 1 1 86 86 PHE H H 86 9.004 9.004 8.068 0.936 19946 3237 1 7 . 1 1 87 87 LEU N N 87 120.712 120.712 118.677 2.035 19946 3238 1 7 . 1 1 87 87 LEU HA H 87 5.295 5.295 5.052 0.243 19946 3239 1 7 . 1 1 87 87 LEU CA C 87 51.810 51.810 53.500 -1.690 19946 3240 1 7 . 1 1 87 87 LEU CB C 87 42.059 42.059 44.963 -2.904 19946 3241 1 7 . 1 1 87 87 LEU H H 87 8.785 8.785 9.196 -0.411 19946 3242 1 7 . 1 1 88 88 LEU N N 88 124.779 124.779 121.622 3.157 19946 3243 1 7 . 1 1 88 88 LEU HA H 88 4.434 4.434 4.405 0.029 19946 3244 1 7 . 1 1 88 88 LEU CA C 88 54.331 54.331 55.552 -1.221 19946 3245 1 7 . 1 1 88 88 LEU CB C 88 42.648 42.648 43.568 -0.920 19946 3246 1 7 . 1 1 88 88 LEU H H 88 8.243 8.243 8.859 -0.616 19946 3247 1 7 . 1 1 89 89 GLU N N 89 112.478 112.478 123.913 -11.435 19946 3248 1 7 . 1 1 89 89 GLU HA H 89 3.881 3.881 4.217 -0.336 19946 3249 1 7 . 1 1 89 89 GLU H H 89 9.343 9.343 8.730 0.613 19946 3250 1 7 . 1 1 90 90 ASP N N 90 120.709 120.709 119.864 0.845 19946 3251 1 7 . 1 1 90 90 ASP HA H 90 4.168 4.168 4.325 -0.157 19946 3252 1 7 . 1 1 90 90 ASP H H 90 9.062 9.062 8.527 0.535 19946 3253 1 7 . 1 1 91 91 GLY N N 91 105.049 105.049 108.539 -3.490 19946 3254 1 7 . 1 1 91 91 GLY CA C 91 46.263 46.263 45.172 1.091 19946 3255 1 7 . 1 1 91 91 GLY H H 91 7.848 7.848 8.552 -0.704 19946 3256 1 7 . 1 1 92 92 ILE N N 92 122.127 122.127 119.733 2.394 19946 3257 1 7 . 1 1 92 92 ILE HA H 92 3.811 3.811 4.028 -0.217 19946 3258 1 7 . 1 1 92 92 ILE CA C 92 62.656 62.656 61.544 1.112 19946 3259 1 7 . 1 1 92 92 ILE CB C 92 37.243 37.243 38.216 -0.973 19946 3260 1 7 . 1 1 92 92 ILE H H 92 8.077 8.077 8.393 -0.316 19946 3261 1 7 . 1 1 93 93 ASP N N 93 127.038 127.038 120.835 6.203 19946 3262 1 7 . 1 1 93 93 ASP HA H 93 4.452 4.452 4.316 0.136 19946 3263 1 7 . 1 1 93 93 ASP CA C 93 57.357 57.357 57.367 -0.010 19946 3264 1 7 . 1 1 93 93 ASP CB C 93 38.194 38.194 40.275 -2.081 19946 3265 1 7 . 1 1 93 93 ASP H H 93 9.094 9.094 8.364 0.730 19946 3266 1 7 . 1 1 94 94 GLY N N 94 111.411 111.411 108.512 2.899 19946 3267 1 7 . 1 1 94 94 GLY CA C 94 44.750 44.750 46.641 -1.891 19946 3268 1 7 . 1 1 94 94 GLY H H 94 8.047 8.047 8.321 -0.274 19946 3269 1 7 . 1 1 95 95 TRP N N 95 127.574 127.574 125.552 2.022 19946 3270 1 7 . 1 1 95 95 TRP HA H 95 3.738 3.738 4.153 -0.415 19946 3271 1 7 . 1 1 95 95 TRP CA C 95 60.852 60.852 59.556 1.296 19946 3272 1 7 . 1 1 95 95 TRP CB C 95 28.613 28.613 29.083 -0.470 19946 3273 1 7 . 1 1 95 95 TRP H H 95 7.918 7.918 8.414 -0.496 19946 3274 1 7 . 1 1 96 96 LYS N N 96 117.374 117.374 118.228 -0.854 19946 3275 1 7 . 1 1 96 96 LYS HA H 96 4.079 4.079 3.755 0.324 19946 3276 1 7 . 1 1 96 96 LYS CA C 96 59.091 59.091 58.537 0.554 19946 3277 1 7 . 1 1 96 96 LYS H H 96 8.625 8.625 8.156 0.469 19946 3278 1 7 . 1 1 97 97 LYS N N 97 123.490 123.490 120.132 3.358 19946 3279 1 7 . 1 1 97 97 LYS HA H 97 4.021 4.021 4.007 0.014 19946 3280 1 7 . 1 1 97 97 LYS CB C 97 31.542 31.542 32.131 -0.589 19946 3281 1 7 . 1 1 97 97 LYS H H 97 8.233 8.233 7.271 0.962 19946 3282 1 7 . 1 1 98 98 ALA N N 98 120.321 120.321 119.188 1.133 19946 3283 1 7 . 1 1 98 98 ALA HA H 98 4.248 4.248 4.363 -0.115 19946 3284 1 7 . 1 1 98 98 ALA CA C 98 51.305 51.305 51.584 -0.279 19946 3285 1 7 . 1 1 98 98 ALA CB C 98 17.744 17.744 19.058 -1.315 19946 3286 1 7 . 1 1 98 98 ALA H H 98 7.480 7.480 7.913 -0.433 19946 3287 1 7 . 1 1 99 99 GLY N N 99 106.984 106.984 107.346 -0.362 19946 3288 1 7 . 1 1 99 99 GLY CA C 99 44.246 44.246 45.498 -1.252 19946 3289 1 7 . 1 1 99 99 GLY H H 99 7.867 7.867 8.284 -0.417 19946 3290 1 7 . 1 1 100 100 LEU N N 100 122.993 122.993 119.641 3.352 19946 3291 1 7 . 1 1 100 100 LEU HA H 100 4.277 4.277 4.416 -0.139 19946 3292 1 7 . 1 1 100 100 LEU CA C 100 52.314 52.314 50.660 1.654 19946 3293 1 7 . 1 1 100 100 LEU CB C 100 36.786 36.786 43.488 -6.702 19946 3294 1 7 . 1 1 100 100 LEU H H 100 6.958 6.958 6.928 0.030 19946 3295 1 7 . 1 1 101 101 PRO HA H 101 4.492 4.492 4.492 0.000 19946 3296 1 7 . 1 1 101 101 PRO CB C 101 32.097 32.097 31.866 0.231 19946 3297 1 7 . 1 1 102 102 VAL N N 102 111.514 111.514 114.160 -2.646 19946 3298 1 7 . 1 1 102 102 VAL HA H 102 4.367 4.367 4.320 0.047 19946 3299 1 7 . 1 1 102 102 VAL CA C 102 58.869 58.869 60.338 -1.469 19946 3300 1 7 . 1 1 102 102 VAL CB C 102 35.351 35.351 32.797 2.554 19946 3301 1 7 . 1 1 102 102 VAL H H 102 7.988 7.988 8.086 -0.098 19946 3302 1 7 . 1 1 103 103 ALA N N 103 126.676 126.676 122.435 4.241 19946 3303 1 7 . 1 1 103 103 ALA HA H 103 4.524 4.524 4.260 0.264 19946 3304 1 7 . 1 1 103 103 ALA CA C 103 49.793 49.793 51.594 -1.801 19946 3305 1 7 . 1 1 103 103 ALA CB C 103 18.600 18.600 17.981 0.619 19946 3306 1 7 . 1 1 103 103 ALA H H 103 8.919 8.919 7.938 0.981 19946 3307 1 7 . 1 1 104 104 VAL N N 104 121.148 121.148 122.371 -1.223 19946 3308 1 7 . 1 1 104 104 VAL HA H 104 4.475 4.475 4.467 0.008 19946 3309 1 7 . 1 1 104 104 VAL CA C 104 59.374 59.374 59.959 -0.585 19946 3310 1 7 . 1 1 104 104 VAL CB C 104 33.884 33.884 34.029 -0.145 19946 3311 1 7 . 1 1 104 104 VAL H H 104 8.241 8.241 7.924 0.317 19946 3312 1 7 . 1 1 105 105 ASN N N 105 123.816 123.816 118.429 5.387 19946 3313 1 7 . 1 1 105 105 ASN HA H 105 4.674 4.674 4.428 0.246 19946 3314 1 7 . 1 1 105 105 ASN CA C 105 53.200 53.200 54.499 -1.299 19946 3315 1 7 . 1 1 105 105 ASN CB C 105 37.959 37.959 37.895 0.064 19946 3316 1 7 . 1 1 105 105 ASN H H 105 8.150 8.150 8.534 -0.384 19946 3317 1 7 . 1 1 106 106 LYS N N 106 123.804 123.804 124.159 -0.355 19946 3318 1 7 . 1 1 106 106 LYS H H 106 8.340 8.340 8.413 -0.073 19946 3319 1 8 . 1 1 2 2 LEU N N 2 120.763 120.763 123.200 -2.437 19946 3320 1 8 . 1 1 2 2 LEU HA H 2 4.384 4.384 4.056 0.328 19946 3321 1 8 . 1 1 2 2 LEU CA C 2 53.827 53.827 55.928 -2.101 19946 3322 1 8 . 1 1 2 2 LEU CB C 2 42.229 42.229 41.987 0.242 19946 3323 1 8 . 1 1 2 2 LEU H H 2 7.888 7.888 8.457 -0.569 19946 3324 1 8 . 1 1 3 3 THR N N 3 118.330 118.330 120.621 -2.291 19946 3325 1 8 . 1 1 3 3 THR HA H 3 4.469 4.469 4.683 -0.214 19946 3326 1 8 . 1 1 3 3 THR CA C 3 61.391 61.391 60.695 0.696 19946 3327 1 8 . 1 1 3 3 THR CB C 3 69.496 69.496 71.482 -1.986 19946 3328 1 8 . 1 1 3 3 THR H H 3 7.905 7.905 7.880 0.025 19946 3329 1 8 . 1 1 4 4 THR N N 4 122.024 122.024 116.403 5.621 19946 3330 1 8 . 1 1 4 4 THR HA H 4 5.171 5.171 5.583 -0.412 19946 3331 1 8 . 1 1 4 4 THR CA C 4 61.595 61.595 60.780 0.815 19946 3332 1 8 . 1 1 4 4 THR CB C 4 69.027 69.027 70.090 -1.063 19946 3333 1 8 . 1 1 4 4 THR H H 4 8.504 8.504 8.366 0.138 19946 3334 1 8 . 1 1 5 5 ILE N N 5 122.667 122.667 121.351 1.316 19946 3335 1 8 . 1 1 5 5 ILE HA H 5 4.973 4.973 4.762 0.211 19946 3336 1 8 . 1 1 5 5 ILE CA C 5 57.971 57.971 59.072 -1.101 19946 3337 1 8 . 1 1 5 5 ILE CB C 5 41.458 41.458 41.388 0.070 19946 3338 1 8 . 1 1 5 5 ILE H H 5 8.903 8.903 8.232 0.671 19946 3339 1 8 . 1 1 6 6 SER N N 6 123.156 123.156 114.110 9.046 19946 3340 1 8 . 1 1 6 6 SER HA H 6 4.785 4.785 4.901 -0.116 19946 3341 1 8 . 1 1 6 6 SER H H 6 9.138 9.138 8.232 0.906 19946 3342 1 8 . 1 1 7 7 PRO HA H 7 4.004 4.004 4.597 -0.593 19946 3343 1 8 . 1 1 7 7 PRO CA C 7 65.510 65.510 63.434 2.076 19946 3344 1 8 . 1 1 7 7 PRO CB C 7 30.924 30.924 30.064 0.860 19946 3345 1 8 . 1 1 8 8 HIS N N 8 114.319 114.319 117.836 -3.517 19946 3346 1 8 . 1 1 8 8 HIS HA H 8 3.989 3.989 4.720 -0.731 19946 3347 1 8 . 1 1 8 8 HIS CA C 8 60.050 60.050 56.891 3.159 19946 3348 1 8 . 1 1 8 8 HIS CB C 8 28.613 28.613 32.454 -3.841 19946 3349 1 8 . 1 1 8 8 HIS H H 8 8.127 8.127 8.503 -0.376 19946 3350 1 8 . 1 1 9 9 ASP N N 9 121.300 121.300 120.870 0.430 19946 3351 1 8 . 1 1 9 9 ASP HA H 9 4.301 4.301 4.658 -0.357 19946 3352 1 8 . 1 1 9 9 ASP CA C 9 56.455 56.455 56.232 0.223 19946 3353 1 8 . 1 1 9 9 ASP CB C 9 38.699 38.699 41.345 -2.646 19946 3354 1 8 . 1 1 9 9 ASP H H 9 7.639 7.639 8.207 -0.568 19946 3355 1 8 . 1 1 10 10 ALA N N 10 123.991 123.991 123.346 0.645 19946 3356 1 8 . 1 1 10 10 ALA HA H 10 3.719 3.719 3.998 -0.279 19946 3357 1 8 . 1 1 10 10 ALA CA C 10 54.331 54.331 54.952 -0.621 19946 3358 1 8 . 1 1 10 10 ALA CB C 10 17.549 17.549 18.243 -0.694 19946 3359 1 8 . 1 1 10 10 ALA H H 10 8.820 8.820 7.527 1.293 19946 3360 1 8 . 1 1 11 11 GLN N N 11 118.128 118.128 116.828 1.300 19946 3361 1 8 . 1 1 11 11 GLN HA H 11 3.933 3.933 4.156 -0.223 19946 3362 1 8 . 1 1 11 11 GLN CA C 11 59.389 59.389 57.959 1.430 19946 3363 1 8 . 1 1 11 11 GLN CB C 11 27.948 27.948 28.514 -0.566 19946 3364 1 8 . 1 1 11 11 GLN H H 11 8.353 8.353 8.423 -0.070 19946 3365 1 8 . 1 1 12 12 GLU N N 12 119.307 119.307 119.654 -0.347 19946 3366 1 8 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.276 -0.253 19946 3367 1 8 . 1 1 12 12 GLU CA C 12 58.476 58.476 58.082 0.394 19946 3368 1 8 . 1 1 12 12 GLU CB C 12 28.532 28.532 29.851 -1.319 19946 3369 1 8 . 1 1 12 12 GLU H H 12 7.197 7.197 8.227 -1.030 19946 3370 1 8 . 1 1 13 13 LEU N N 13 120.635 120.635 118.329 2.306 19946 3371 1 8 . 1 1 13 13 LEU HA H 13 3.821 3.821 4.169 -0.348 19946 3372 1 8 . 1 1 13 13 LEU CA C 13 57.065 57.065 57.269 -0.204 19946 3373 1 8 . 1 1 13 13 LEU CB C 13 40.890 40.890 42.059 -1.169 19946 3374 1 8 . 1 1 13 13 LEU H H 13 7.554 7.554 7.161 0.393 19946 3375 1 8 . 1 1 14 14 ILE N N 14 123.021 123.021 118.709 4.312 19946 3376 1 8 . 1 1 14 14 ILE HA H 14 3.827 3.827 3.946 -0.119 19946 3377 1 8 . 1 1 14 14 ILE CA C 14 64.053 64.053 63.059 0.994 19946 3378 1 8 . 1 1 14 14 ILE CB C 14 38.115 38.115 36.693 1.422 19946 3379 1 8 . 1 1 14 14 ILE H H 14 8.710 8.710 7.977 0.733 19946 3380 1 8 . 1 1 15 15 ALA N N 15 124.504 124.504 120.282 4.222 19946 3381 1 8 . 1 1 15 15 ALA HA H 15 4.115 4.115 4.204 -0.089 19946 3382 1 8 . 1 1 15 15 ALA CA C 15 54.257 54.257 53.461 0.796 19946 3383 1 8 . 1 1 15 15 ALA CB C 15 17.040 17.040 18.404 -1.364 19946 3384 1 8 . 1 1 15 15 ALA H H 15 7.758 7.758 7.723 0.035 19946 3385 1 8 . 1 1 16 16 ARG N N 16 115.990 115.990 117.339 -1.349 19946 3386 1 8 . 1 1 16 16 ARG HA H 16 4.348 4.348 4.340 0.008 19946 3387 1 8 . 1 1 16 16 ARG CA C 16 55.416 55.416 56.669 -1.253 19946 3388 1 8 . 1 1 16 16 ARG CB C 16 29.762 29.762 31.123 -1.361 19946 3389 1 8 . 1 1 16 16 ARG H H 16 7.252 7.252 7.856 -0.604 19946 3390 1 8 . 1 1 17 17 GLY N N 17 107.981 107.981 105.346 2.635 19946 3391 1 8 . 1 1 17 17 GLY CA C 17 44.854 44.854 44.457 0.397 19946 3392 1 8 . 1 1 17 17 GLY H H 17 7.748 7.748 7.309 0.439 19946 3393 1 8 . 1 1 18 18 ALA N N 18 123.914 123.914 124.828 -0.914 19946 3394 1 8 . 1 1 18 18 ALA HA H 18 4.221 4.221 4.433 -0.212 19946 3395 1 8 . 1 1 18 18 ALA CA C 18 52.270 52.270 52.064 0.206 19946 3396 1 8 . 1 1 18 18 ALA CB C 18 18.638 18.638 20.122 -1.484 19946 3397 1 8 . 1 1 18 18 ALA H H 18 7.940 7.940 8.062 -0.122 19946 3398 1 8 . 1 1 19 19 LYS N N 19 119.436 119.436 121.353 -1.917 19946 3399 1 8 . 1 1 19 19 LYS HA H 19 4.301 4.301 4.392 -0.091 19946 3400 1 8 . 1 1 19 19 LYS CA C 19 53.105 53.105 55.614 -2.509 19946 3401 1 8 . 1 1 19 19 LYS CB C 19 32.856 32.856 34.945 -2.089 19946 3402 1 8 . 1 1 19 19 LYS H H 19 7.565 7.565 8.445 -0.880 19946 3403 1 8 . 1 1 20 20 LEU N N 20 127.401 127.401 120.818 6.583 19946 3404 1 8 . 1 1 20 20 LEU HA H 20 5.042 5.042 4.603 0.439 19946 3405 1 8 . 1 1 20 20 LEU CA C 20 52.314 52.314 54.188 -1.874 19946 3406 1 8 . 1 1 20 20 LEU CB C 20 43.234 43.234 44.313 -1.079 19946 3407 1 8 . 1 1 20 20 LEU H H 20 8.727 8.727 8.256 0.471 19946 3408 1 8 . 1 1 21 21 ILE N N 21 128.186 128.186 124.125 4.061 19946 3409 1 8 . 1 1 21 21 ILE HA H 21 4.547 4.547 4.467 0.080 19946 3410 1 8 . 1 1 21 21 ILE CA C 21 59.589 59.589 59.736 -0.147 19946 3411 1 8 . 1 1 21 21 ILE CB C 21 38.545 38.545 42.098 -3.553 19946 3412 1 8 . 1 1 21 21 ILE H H 21 9.366 9.366 7.757 1.609 19946 3413 1 8 . 1 1 22 22 ASP N N 22 129.968 129.968 121.727 8.241 19946 3414 1 8 . 1 1 22 22 ASP HA H 22 3.803 3.803 5.044 -1.241 19946 3415 1 8 . 1 1 22 22 ASP CA C 22 51.435 51.435 53.118 -1.683 19946 3416 1 8 . 1 1 22 22 ASP CB C 22 42.062 42.062 44.898 -2.837 19946 3417 1 8 . 1 1 22 22 ASP H H 22 8.583 8.583 8.025 0.558 19946 3418 1 8 . 1 1 23 23 ILE N N 23 116.266 116.266 117.672 -1.406 19946 3419 1 8 . 1 1 23 23 ILE HA H 23 5.229 5.229 4.396 0.833 19946 3420 1 8 . 1 1 23 23 ILE CA C 23 59.374 59.374 59.786 -0.412 19946 3421 1 8 . 1 1 23 23 ILE CB C 23 37.327 37.327 36.880 0.447 19946 3422 1 8 . 1 1 23 23 ILE H H 23 7.836 7.836 8.513 -0.677 19946 3423 1 8 . 1 1 24 24 ARG N N 24 125.001 125.001 121.091 3.910 19946 3424 1 8 . 1 1 24 24 ARG HA H 24 4.116 4.116 4.195 -0.079 19946 3425 1 8 . 1 1 24 24 ARG CA C 24 55.943 55.943 56.836 -0.892 19946 3426 1 8 . 1 1 24 24 ARG CB C 24 30.135 30.135 30.702 -0.567 19946 3427 1 8 . 1 1 24 24 ARG H H 24 8.195 8.195 7.257 0.938 19946 3428 1 8 . 1 1 25 25 ASP N N 25 112.839 112.839 118.079 -5.240 19946 3429 1 8 . 1 1 25 25 ASP HA H 25 4.545 4.545 4.664 -0.119 19946 3430 1 8 . 1 1 25 25 ASP CA C 25 53.870 53.870 53.316 0.554 19946 3431 1 8 . 1 1 25 25 ASP CB C 25 41.327 41.327 42.387 -1.060 19946 3432 1 8 . 1 1 25 25 ASP H H 25 7.660 7.660 8.200 -0.540 19946 3433 1 8 . 1 1 26 26 ALA N N 26 122.145 122.145 123.282 -1.137 19946 3434 1 8 . 1 1 26 26 ALA HA H 26 3.897 3.897 4.139 -0.242 19946 3435 1 8 . 1 1 26 26 ALA CA C 26 54.958 54.958 54.938 0.021 19946 3436 1 8 . 1 1 26 26 ALA CB C 26 17.520 17.520 19.171 -1.651 19946 3437 1 8 . 1 1 26 26 ALA H H 26 8.766 8.766 8.509 0.257 19946 3438 1 8 . 1 1 27 27 ASP N N 27 115.380 115.380 118.793 -3.413 19946 3439 1 8 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.345 -0.046 19946 3440 1 8 . 1 1 27 27 ASP CA C 27 56.451 56.451 56.979 -0.528 19946 3441 1 8 . 1 1 27 27 ASP CB C 27 39.156 39.156 40.677 -1.521 19946 3442 1 8 . 1 1 27 27 ASP H H 27 8.686 8.686 8.577 0.109 19946 3443 1 8 . 1 1 28 28 GLU N N 28 120.081 120.081 117.853 2.228 19946 3444 1 8 . 1 1 28 28 GLU HA H 28 4.086 4.086 4.153 -0.067 19946 3445 1 8 . 1 1 28 28 GLU CA C 28 58.389 58.389 57.769 0.620 19946 3446 1 8 . 1 1 28 28 GLU CB C 28 28.728 28.728 29.945 -1.217 19946 3447 1 8 . 1 1 28 28 GLU H H 28 7.397 7.397 7.956 -0.559 19946 3448 1 8 . 1 1 29 29 TYR N N 29 121.205 121.205 118.244 2.961 19946 3449 1 8 . 1 1 29 29 TYR HA H 29 4.083 4.083 4.531 -0.448 19946 3450 1 8 . 1 1 29 29 TYR CA C 29 60.378 60.378 57.694 2.684 19946 3451 1 8 . 1 1 29 29 TYR CB C 29 38.699 38.699 39.359 -0.660 19946 3452 1 8 . 1 1 29 29 TYR H H 29 7.506 7.506 8.361 -0.855 19946 3453 1 8 . 1 1 30 30 LEU N N 30 118.828 118.828 121.298 -2.470 19946 3454 1 8 . 1 1 30 30 LEU HA H 30 3.850 3.850 4.088 -0.238 19946 3455 1 8 . 1 1 30 30 LEU CA C 30 56.348 56.348 57.556 -1.208 19946 3456 1 8 . 1 1 30 30 LEU CB C 30 41.220 41.220 42.254 -1.034 19946 3457 1 8 . 1 1 30 30 LEU H H 30 8.211 8.211 7.274 0.937 19946 3458 1 8 . 1 1 31 31 ARG N N 31 118.220 118.220 118.036 0.184 19946 3459 1 8 . 1 1 31 31 ARG HA H 31 4.101 4.101 4.233 -0.132 19946 3460 1 8 . 1 1 31 31 ARG CA C 31 58.365 58.365 57.865 0.500 19946 3461 1 8 . 1 1 31 31 ARG CB C 31 30.074 30.074 31.409 -1.335 19946 3462 1 8 . 1 1 31 31 ARG H H 31 7.120 7.120 8.136 -1.016 19946 3463 1 8 . 1 1 32 32 GLU N N 32 117.980 117.980 117.234 0.746 19946 3464 1 8 . 1 1 32 32 GLU HA H 32 4.884 4.884 4.261 0.623 19946 3465 1 8 . 1 1 32 32 GLU CA C 32 55.339 55.339 56.709 -1.370 19946 3466 1 8 . 1 1 32 32 GLU CB C 32 31.698 31.698 30.508 1.190 19946 3467 1 8 . 1 1 32 32 GLU H H 32 7.506 7.506 8.402 -0.896 19946 3468 1 8 . 1 1 33 33 HIS N N 33 118.257 118.257 118.911 -0.654 19946 3469 1 8 . 1 1 33 33 HIS HA H 33 4.643 4.643 4.024 0.619 19946 3470 1 8 . 1 1 33 33 HIS CA C 33 53.766 53.766 54.701 -0.935 19946 3471 1 8 . 1 1 33 33 HIS CB C 33 29.940 29.940 31.080 -1.140 19946 3472 1 8 . 1 1 33 33 HIS H H 33 8.269 8.269 8.596 -0.327 19946 3473 1 8 . 1 1 34 34 ILE N N 34 127.809 127.809 118.145 9.664 19946 3474 1 8 . 1 1 34 34 ILE HA H 34 3.920 3.920 3.875 0.045 19946 3475 1 8 . 1 1 34 34 ILE CA C 34 59.648 59.648 62.266 -2.618 19946 3476 1 8 . 1 1 34 34 ILE CB C 34 37.959 37.959 38.746 -0.787 19946 3477 1 8 . 1 1 34 34 ILE H H 34 9.989 9.989 8.036 1.953 19946 3478 1 8 . 1 1 35 35 PRO HA H 35 4.198 4.198 4.358 -0.160 19946 3479 1 8 . 1 1 36 36 GLU N N 36 114.414 114.414 122.199 -7.785 19946 3480 1 8 . 1 1 36 36 GLU HA H 36 4.082 4.082 3.859 0.223 19946 3481 1 8 . 1 1 36 36 GLU CA C 36 57.861 57.861 57.529 0.332 19946 3482 1 8 . 1 1 36 36 GLU CB C 36 28.109 28.109 28.736 -0.627 19946 3483 1 8 . 1 1 36 36 GLU H H 36 8.557 8.557 8.315 0.242 19946 3484 1 8 . 1 1 37 37 ALA N N 37 122.882 122.882 125.350 -2.468 19946 3485 1 8 . 1 1 37 37 ALA HA H 37 4.439 4.439 4.795 -0.356 19946 3486 1 8 . 1 1 37 37 ALA CA C 37 52.005 52.005 51.259 0.746 19946 3487 1 8 . 1 1 37 37 ALA CB C 37 20.438 20.438 22.389 -1.951 19946 3488 1 8 . 1 1 37 37 ALA H H 37 8.096 8.096 8.172 -0.076 19946 3489 1 8 . 1 1 38 38 ASP N N 38 124.471 124.471 118.599 5.872 19946 3490 1 8 . 1 1 38 38 ASP HA H 38 4.844 4.844 5.029 -0.185 19946 3491 1 8 . 1 1 38 38 ASP CA C 38 52.614 52.614 54.177 -1.563 19946 3492 1 8 . 1 1 38 38 ASP CB C 38 44.407 44.407 44.920 -0.513 19946 3493 1 8 . 1 1 38 38 ASP H H 38 9.004 9.004 8.174 0.830 19946 3494 1 8 . 1 1 39 39 LEU N N 39 123.936 123.936 125.721 -1.785 19946 3495 1 8 . 1 1 39 39 LEU HA H 39 4.328 4.328 4.293 0.035 19946 3496 1 8 . 1 1 39 39 LEU CA C 39 54.037 54.037 55.465 -1.428 19946 3497 1 8 . 1 1 39 39 LEU CB C 39 41.220 41.220 42.386 -1.166 19946 3498 1 8 . 1 1 39 39 LEU H H 39 8.125 8.125 8.137 -0.012 19946 3499 1 8 . 1 1 40 40 ALA N N 40 131.297 131.297 128.696 2.601 19946 3500 1 8 . 1 1 40 40 ALA HA H 40 4.408 4.408 4.654 -0.246 19946 3501 1 8 . 1 1 40 40 ALA CA C 40 48.784 48.784 50.647 -1.863 19946 3502 1 8 . 1 1 40 40 ALA CB C 40 17.979 17.979 19.267 -1.288 19946 3503 1 8 . 1 1 40 40 ALA H H 40 8.654 8.654 8.252 0.402 19946 3504 1 8 . 1 1 41 41 PRO HA H 41 4.101 4.101 4.685 -0.584 19946 3505 1 8 . 1 1 41 41 PRO CA C 41 61.391 61.391 62.311 -0.920 19946 3506 1 8 . 1 1 41 41 PRO CB C 41 32.097 32.097 32.628 -0.531 19946 3507 1 8 . 1 1 42 42 LEU N N 42 125.312 125.312 120.285 5.027 19946 3508 1 8 . 1 1 42 42 LEU HA H 42 3.871 3.871 3.824 0.047 19946 3509 1 8 . 1 1 42 42 LEU CA C 42 57.861 57.861 58.694 -0.833 19946 3510 1 8 . 1 1 42 42 LEU CB C 42 40.941 40.941 41.317 -0.376 19946 3511 1 8 . 1 1 42 42 LEU H H 42 8.285 8.285 8.454 -0.169 19946 3512 1 8 . 1 1 43 43 SER N N 43 110.669 110.669 113.833 -3.164 19946 3513 1 8 . 1 1 43 43 SER HA H 43 4.106 4.106 4.155 -0.049 19946 3514 1 8 . 1 1 43 43 SER CA C 43 60.497 60.497 62.075 -1.578 19946 3515 1 8 . 1 1 43 43 SER CB C 43 61.391 61.391 62.831 -1.440 19946 3516 1 8 . 1 1 43 43 SER H H 43 8.453 8.453 8.100 0.353 19946 3517 1 8 . 1 1 44 44 VAL N N 44 123.933 123.933 121.635 2.298 19946 3518 1 8 . 1 1 44 44 VAL HA H 44 3.821 3.821 3.805 0.016 19946 3519 1 8 . 1 1 44 44 VAL CA C 44 64.752 64.752 65.779 -1.027 19946 3520 1 8 . 1 1 44 44 VAL CB C 44 31.135 31.135 31.501 -0.366 19946 3521 1 8 . 1 1 44 44 VAL H H 44 7.156 7.156 8.058 -0.902 19946 3522 1 8 . 1 1 45 45 LEU N N 45 121.150 121.150 119.434 1.716 19946 3523 1 8 . 1 1 45 45 LEU HA H 45 3.767 3.767 4.057 -0.290 19946 3524 1 8 . 1 1 45 45 LEU CA C 45 56.599 56.599 57.724 -1.125 19946 3525 1 8 . 1 1 45 45 LEU CB C 45 40.890 40.890 41.289 -0.399 19946 3526 1 8 . 1 1 45 45 LEU H H 45 7.997 7.997 8.951 -0.954 19946 3527 1 8 . 1 1 46 46 GLU N N 46 116.256 116.256 118.700 -2.444 19946 3528 1 8 . 1 1 46 46 GLU HA H 46 3.678 3.678 4.243 -0.565 19946 3529 1 8 . 1 1 46 46 GLU CA C 46 58.365 58.365 58.347 0.018 19946 3530 1 8 . 1 1 46 46 GLU CB C 46 29.622 29.622 30.081 -0.459 19946 3531 1 8 . 1 1 46 46 GLU H H 46 8.501 8.501 8.206 0.295 19946 3532 1 8 . 1 1 47 47 GLN N N 47 117.261 117.261 117.486 -0.225 19946 3533 1 8 . 1 1 47 47 GLN HA H 47 4.216 4.216 4.255 -0.039 19946 3534 1 8 . 1 1 47 47 GLN CA C 47 56.852 56.852 58.240 -1.388 19946 3535 1 8 . 1 1 47 47 GLN CB C 47 29.119 29.119 29.730 -0.611 19946 3536 1 8 . 1 1 47 47 GLN H H 47 7.407 7.407 8.221 -0.814 19946 3537 1 8 . 1 1 48 48 SER N N 48 111.890 111.890 111.921 -0.031 19946 3538 1 8 . 1 1 48 48 SER HA H 48 4.641 4.641 4.624 0.017 19946 3539 1 8 . 1 1 48 48 SER CA C 48 57.956 57.956 58.086 -0.130 19946 3540 1 8 . 1 1 48 48 SER CB C 48 63.912 63.912 65.446 -1.534 19946 3541 1 8 . 1 1 48 48 SER H H 48 8.566 8.566 8.397 0.169 19946 3542 1 8 . 1 1 49 49 GLY N N 49 111.545 111.545 109.510 2.035 19946 3543 1 8 . 1 1 49 49 GLY CA C 49 43.894 43.894 44.576 -0.682 19946 3544 1 8 . 1 1 49 49 GLY H H 49 7.836 7.836 7.920 -0.084 19946 3545 1 8 . 1 1 50 50 LEU N N 50 121.541 121.541 122.722 -1.181 19946 3546 1 8 . 1 1 50 50 LEU HA H 50 4.239 4.239 4.364 -0.125 19946 3547 1 8 . 1 1 50 50 LEU CA C 50 51.985 51.985 54.640 -2.655 19946 3548 1 8 . 1 1 50 50 LEU CB C 50 42.648 42.648 42.116 0.532 19946 3549 1 8 . 1 1 50 50 LEU H H 50 8.564 8.564 8.325 0.239 19946 3550 1 8 . 1 1 51 51 PRO HA H 51 4.243 4.243 4.562 -0.319 19946 3551 1 8 . 1 1 51 51 PRO CB C 51 31.639 31.639 32.834 -1.195 19946 3552 1 8 . 1 1 52 52 ALA N N 52 127.008 127.008 129.247 -2.239 19946 3553 1 8 . 1 1 52 52 ALA HA H 52 3.790 3.790 3.974 -0.184 19946 3554 1 8 . 1 1 52 52 ALA CA C 52 54.835 54.835 55.306 -0.471 19946 3555 1 8 . 1 1 52 52 ALA CB C 52 17.715 17.715 18.444 -0.729 19946 3556 1 8 . 1 1 52 52 ALA H H 52 8.564 8.564 8.805 -0.241 19946 3557 1 8 . 1 1 53 53 LYS N N 53 114.535 114.535 115.927 -1.392 19946 3558 1 8 . 1 1 53 53 LYS HA H 53 4.106 4.106 4.096 0.010 19946 3559 1 8 . 1 1 53 53 LYS CA C 53 56.852 56.852 58.356 -1.504 19946 3560 1 8 . 1 1 53 53 LYS CB C 53 31.386 31.386 31.715 -0.330 19946 3561 1 8 . 1 1 53 53 LYS H H 53 8.364 8.364 8.434 -0.070 19946 3562 1 8 . 1 1 54 54 LEU N N 54 118.515 118.515 116.460 2.055 19946 3563 1 8 . 1 1 54 54 LEU HA H 54 4.247 4.247 4.536 -0.289 19946 3564 1 8 . 1 1 54 54 LEU CA C 54 53.338 53.338 53.965 -0.627 19946 3565 1 8 . 1 1 54 54 LEU CB C 54 40.890 40.890 41.943 -1.053 19946 3566 1 8 . 1 1 54 54 LEU H H 54 7.745 7.745 7.831 -0.086 19946 3567 1 8 . 1 1 55 55 ARG N N 55 117.612 117.612 121.004 -3.392 19946 3568 1 8 . 1 1 55 55 ARG HA H 55 3.927 3.927 4.666 -0.739 19946 3569 1 8 . 1 1 55 55 ARG CA C 55 56.832 56.832 55.105 1.727 19946 3570 1 8 . 1 1 55 55 ARG CB C 55 28.610 28.610 32.700 -4.090 19946 3571 1 8 . 1 1 55 55 ARG H H 55 6.938 6.938 8.287 -1.349 19946 3572 1 8 . 1 1 56 56 HIS N N 56 123.269 123.269 121.015 2.254 19946 3573 1 8 . 1 1 56 56 HIS HA H 56 4.614 4.614 4.711 -0.097 19946 3574 1 8 . 1 1 56 56 HIS CA C 56 54.835 54.835 55.705 -0.870 19946 3575 1 8 . 1 1 56 56 HIS CB C 56 32.648 32.648 32.148 0.500 19946 3576 1 8 . 1 1 56 56 HIS H H 56 7.237 7.237 8.423 -1.186 19946 3577 1 8 . 1 1 57 57 GLU N N 57 120.895 120.895 120.361 0.534 19946 3578 1 8 . 1 1 57 57 GLU HA H 57 3.976 3.976 4.199 -0.223 19946 3579 1 8 . 1 1 57 57 GLU CA C 57 58.871 58.871 58.579 0.292 19946 3580 1 8 . 1 1 57 57 GLU CB C 57 29.158 29.158 30.403 -1.245 19946 3581 1 8 . 1 1 57 57 GLU H H 57 7.625 7.625 8.856 -1.231 19946 3582 1 8 . 1 1 58 58 GLN N N 58 118.485 118.485 112.137 6.348 19946 3583 1 8 . 1 1 58 58 GLN HA H 58 5.425 5.425 5.422 0.003 19946 3584 1 8 . 1 1 58 58 GLN CA C 58 54.910 54.910 54.235 0.675 19946 3585 1 8 . 1 1 58 58 GLN CB C 58 32.285 32.285 32.739 -0.454 19946 3586 1 8 . 1 1 58 58 GLN H H 58 8.335 8.335 7.657 0.678 19946 3587 1 8 . 1 1 59 59 ILE N N 59 123.505 123.505 119.589 3.916 19946 3588 1 8 . 1 1 59 59 ILE HA H 59 4.492 4.492 4.684 -0.192 19946 3589 1 8 . 1 1 59 59 ILE CA C 59 58.869 58.869 59.480 -0.611 19946 3590 1 8 . 1 1 59 59 ILE CB C 59 42.332 42.332 42.229 0.103 19946 3591 1 8 . 1 1 59 59 ILE H H 59 8.704 8.704 9.072 -0.368 19946 3592 1 8 . 1 1 60 60 ILE N N 60 126.464 126.464 122.519 3.945 19946 3593 1 8 . 1 1 60 60 ILE HA H 60 4.954 4.954 4.617 0.337 19946 3594 1 8 . 1 1 60 60 ILE CA C 60 57.357 57.357 59.601 -2.244 19946 3595 1 8 . 1 1 60 60 ILE CB C 60 39.131 39.131 41.566 -2.435 19946 3596 1 8 . 1 1 60 60 ILE H H 60 9.006 9.006 7.973 1.033 19946 3597 1 8 . 1 1 61 61 PHE N N 61 124.441 124.441 117.853 6.588 19946 3598 1 8 . 1 1 61 61 PHE HA H 61 5.795 5.795 5.110 0.685 19946 3599 1 8 . 1 1 61 61 PHE CA C 61 56.131 56.131 57.720 -1.589 19946 3600 1 8 . 1 1 61 61 PHE CB C 61 42.879 42.879 42.206 0.673 19946 3601 1 8 . 1 1 61 61 PHE H H 61 8.938 8.938 8.339 0.599 19946 3602 1 8 . 1 1 62 62 HIS N N 62 117.494 117.494 120.512 -3.018 19946 3603 1 8 . 1 1 62 62 HIS HA H 62 5.928 5.928 5.065 0.863 19946 3604 1 8 . 1 1 62 62 HIS CA C 62 53.322 53.322 55.323 -2.001 19946 3605 1 8 . 1 1 62 62 HIS CB C 62 35.673 35.673 34.323 1.350 19946 3606 1 8 . 1 1 62 62 HIS H H 62 9.230 9.230 8.290 0.940 19946 3607 1 8 . 1 1 63 63 CYS N N 63 120.220 120.220 121.101 -0.881 19946 3608 1 8 . 1 1 63 63 CYS HA H 63 5.033 5.033 4.659 0.374 19946 3609 1 8 . 1 1 63 63 CYS CA C 63 56.131 56.131 58.453 -2.322 19946 3610 1 8 . 1 1 63 63 CYS CB C 63 28.109 28.109 28.856 -0.747 19946 3611 1 8 . 1 1 63 63 CYS H H 63 8.131 8.131 9.032 -0.901 19946 3612 1 8 . 1 1 65 65 ALA N N 65 119.272 119.272 121.896 -2.624 19946 3613 1 8 . 1 1 65 65 ALA HA H 65 5.063 5.063 4.545 0.518 19946 3614 1 8 . 1 1 65 65 ALA CA C 65 49.793 49.793 52.112 -2.320 19946 3615 1 8 . 1 1 65 65 ALA CB C 65 19.775 19.775 19.956 -0.181 19946 3616 1 8 . 1 1 65 65 ALA H H 65 8.967 8.967 7.986 0.981 19946 3617 1 8 . 1 1 66 66 GLY N N 66 113.296 113.296 110.168 3.128 19946 3618 1 8 . 1 1 66 66 GLY CA C 66 44.934 44.934 46.269 -1.335 19946 3619 1 8 . 1 1 66 66 GLY H H 66 8.778 8.778 8.615 0.163 19946 3620 1 8 . 1 1 67 67 LYS N N 67 121.300 121.300 120.756 0.544 19946 3621 1 8 . 1 1 67 67 LYS HA H 67 4.211 4.211 4.402 -0.191 19946 3622 1 8 . 1 1 67 67 LYS H H 67 8.111 8.111 8.074 0.037 19946 3623 1 8 . 1 1 68 68 ARG N N 68 126.092 126.092 118.462 7.630 19946 3624 1 8 . 1 1 68 68 ARG H H 68 9.067 9.067 8.159 0.908 19946 3625 1 8 . 1 1 69 69 THR N N 69 117.153 117.153 114.319 2.834 19946 3626 1 8 . 1 1 69 69 THR HA H 69 3.576 3.576 4.093 -0.517 19946 3627 1 8 . 1 1 69 69 THR CA C 69 65.397 65.397 65.165 0.232 19946 3628 1 8 . 1 1 69 69 THR CB C 69 66.938 66.938 69.134 -2.196 19946 3629 1 8 . 1 1 69 69 THR H H 69 10.233 10.233 8.294 1.939 19946 3630 1 8 . 1 1 70 70 SER N N 70 113.686 113.686 116.097 -2.411 19946 3631 1 8 . 1 1 70 70 SER HA H 70 4.091 4.091 4.116 -0.025 19946 3632 1 8 . 1 1 70 70 SER CA C 70 61.391 61.391 61.111 0.280 19946 3633 1 8 . 1 1 70 70 SER CB C 70 65.425 65.425 62.938 2.487 19946 3634 1 8 . 1 1 70 70 SER H H 70 7.322 7.322 8.347 -1.025 19946 3635 1 8 . 1 1 71 71 ASN N N 71 118.257 118.257 120.643 -2.386 19946 3636 1 8 . 1 1 71 71 ASN HA H 71 4.177 4.177 4.521 -0.344 19946 3637 1 8 . 1 1 71 71 ASN CA C 71 54.736 54.736 55.469 -0.733 19946 3638 1 8 . 1 1 71 71 ASN CB C 71 38.391 38.391 38.514 -0.123 19946 3639 1 8 . 1 1 71 71 ASN H H 71 7.863 7.863 7.815 0.048 19946 3640 1 8 . 1 1 72 72 ASN N N 72 115.529 115.529 116.374 -0.845 19946 3641 1 8 . 1 1 72 72 ASN HA H 72 5.127 5.127 4.840 0.287 19946 3642 1 8 . 1 1 72 72 ASN CA C 72 52.173 52.173 52.260 -0.087 19946 3643 1 8 . 1 1 72 72 ASN CB C 72 39.165 39.165 38.045 1.120 19946 3644 1 8 . 1 1 72 72 ASN H H 72 7.238 7.238 8.021 -0.783 19946 3645 1 8 . 1 1 73 73 ALA N N 73 125.388 125.388 122.926 2.462 19946 3646 1 8 . 1 1 73 73 ALA HA H 73 3.639 3.639 4.228 -0.589 19946 3647 1 8 . 1 1 73 73 ALA CA C 73 56.133 56.133 53.438 2.695 19946 3648 1 8 . 1 1 73 73 ALA CB C 73 18.528 18.528 19.337 -0.808 19946 3649 1 8 . 1 1 73 73 ALA H H 73 7.081 7.081 7.968 -0.887 19946 3650 1 8 . 1 1 74 74 ASP N N 74 115.501 115.501 119.535 -4.034 19946 3651 1 8 . 1 1 74 74 ASP HA H 74 4.135 4.135 4.335 -0.200 19946 3652 1 8 . 1 1 74 74 ASP CA C 74 55.891 55.891 57.313 -1.422 19946 3653 1 8 . 1 1 74 74 ASP CB C 74 38.699 38.699 40.698 -1.999 19946 3654 1 8 . 1 1 74 74 ASP H H 74 8.346 8.346 8.619 -0.273 19946 3655 1 8 . 1 1 75 75 LYS N N 75 122.469 122.469 119.728 2.741 19946 3656 1 8 . 1 1 75 75 LYS HA H 75 4.024 4.024 4.064 -0.040 19946 3657 1 8 . 1 1 75 75 LYS CA C 75 57.861 57.861 59.047 -1.186 19946 3658 1 8 . 1 1 75 75 LYS CB C 75 31.660 31.660 31.725 -0.065 19946 3659 1 8 . 1 1 75 75 LYS H H 75 7.583 7.583 8.000 -0.416 19946 3660 1 8 . 1 1 76 76 LEU N N 76 119.196 119.196 120.330 -1.134 19946 3661 1 8 . 1 1 76 76 LEU HA H 76 3.570 3.570 3.686 -0.116 19946 3662 1 8 . 1 1 76 76 LEU CA C 76 56.852 56.852 57.295 -0.443 19946 3663 1 8 . 1 1 76 76 LEU CB C 76 39.245 39.245 41.189 -1.944 19946 3664 1 8 . 1 1 76 76 LEU H H 76 8.069 8.069 7.510 0.559 19946 3665 1 8 . 1 1 77 77 ALA N N 77 120.302 120.302 121.060 -0.758 19946 3666 1 8 . 1 1 77 77 ALA HA H 77 3.985 3.985 3.823 0.162 19946 3667 1 8 . 1 1 77 77 ALA CA C 77 53.794 53.794 54.772 -0.978 19946 3668 1 8 . 1 1 77 77 ALA CB C 77 17.353 17.353 17.882 -0.529 19946 3669 1 8 . 1 1 77 77 ALA H H 77 8.063 8.063 7.390 0.673 19946 3670 1 8 . 1 1 78 78 ALA N N 78 119.602 119.602 121.822 -2.220 19946 3671 1 8 . 1 1 78 78 ALA HA H 78 4.138 4.138 3.982 0.156 19946 3672 1 8 . 1 1 78 78 ALA CA C 78 54.049 54.049 54.741 -0.692 19946 3673 1 8 . 1 1 78 78 ALA CB C 78 17.520 17.520 18.317 -0.797 19946 3674 1 8 . 1 1 78 78 ALA H H 78 7.274 7.274 7.787 -0.513 19946 3675 1 8 . 1 1 79 79 ILE N N 79 118.809 118.809 116.774 2.035 19946 3676 1 8 . 1 1 79 79 ILE HA H 79 3.798 3.798 3.731 0.067 19946 3677 1 8 . 1 1 79 79 ILE CA C 79 63.354 63.354 64.101 -0.747 19946 3678 1 8 . 1 1 79 79 ILE CB C 79 38.422 38.422 38.107 0.315 19946 3679 1 8 . 1 1 79 79 ILE H H 79 8.170 8.170 8.600 -0.430 19946 3680 1 8 . 1 1 80 80 ALA N N 80 118.736 118.736 119.511 -0.775 19946 3681 1 8 . 1 1 80 80 ALA HA H 80 4.412 4.412 4.663 -0.251 19946 3682 1 8 . 1 1 80 80 ALA CA C 80 50.801 50.801 50.585 0.216 19946 3683 1 8 . 1 1 80 80 ALA CB C 80 19.537 19.537 18.462 1.075 19946 3684 1 8 . 1 1 80 80 ALA H H 80 7.857 7.857 7.671 0.186 19946 3685 1 8 . 1 1 81 81 ALA N N 81 124.485 124.485 122.525 1.960 19946 3686 1 8 . 1 1 81 81 ALA HA H 81 4.353 4.353 4.927 -0.574 19946 3687 1 8 . 1 1 81 81 ALA CA C 81 51.305 51.305 50.033 1.272 19946 3688 1 8 . 1 1 81 81 ALA CB C 81 16.511 16.511 19.746 -3.235 19946 3689 1 8 . 1 1 81 81 ALA H H 81 7.191 7.191 7.345 -0.154 19946 3690 1 8 . 1 1 82 82 PRO CA C 82 62.903 62.903 63.380 -0.477 19946 3691 1 8 . 1 1 83 83 ALA N N 83 128.367 128.367 125.071 3.296 19946 3692 1 8 . 1 1 83 83 ALA HA H 83 4.058 4.058 4.470 -0.412 19946 3693 1 8 . 1 1 83 83 ALA CA C 83 52.314 52.314 51.363 0.951 19946 3694 1 8 . 1 1 83 83 ALA CB C 83 19.001 19.001 22.249 -3.248 19946 3695 1 8 . 1 1 83 83 ALA H H 83 8.472 8.472 7.736 0.736 19946 3696 1 8 . 1 1 84 84 GLU N N 84 122.108 122.108 122.172 -0.064 19946 3697 1 8 . 1 1 84 84 GLU HA H 84 4.164 4.164 4.580 -0.416 19946 3698 1 8 . 1 1 84 84 GLU CA C 84 55.937 55.937 56.072 -0.135 19946 3699 1 8 . 1 1 84 84 GLU CB C 84 30.213 30.213 29.760 0.453 19946 3700 1 8 . 1 1 84 84 GLU H H 84 8.106 8.106 8.313 -0.207 19946 3701 1 8 . 1 1 85 85 ILE N N 85 122.808 122.808 123.047 -0.239 19946 3702 1 8 . 1 1 85 85 ILE HA H 85 5.211 5.211 5.181 0.030 19946 3703 1 8 . 1 1 85 85 ILE CA C 85 58.365 58.365 58.570 -0.205 19946 3704 1 8 . 1 1 85 85 ILE CB C 85 39.707 39.707 39.565 0.142 19946 3705 1 8 . 1 1 85 85 ILE H H 85 7.850 7.850 7.751 0.099 19946 3706 1 8 . 1 1 86 86 PHE N N 86 122.937 122.937 119.926 3.011 19946 3707 1 8 . 1 1 86 86 PHE HA H 86 5.388 5.388 4.689 0.699 19946 3708 1 8 . 1 1 86 86 PHE CA C 86 54.509 54.509 57.123 -2.614 19946 3709 1 8 . 1 1 86 86 PHE CB C 86 42.878 42.878 43.709 -0.831 19946 3710 1 8 . 1 1 86 86 PHE H H 86 9.004 9.004 8.132 0.872 19946 3711 1 8 . 1 1 87 87 LEU N N 87 120.712 120.712 119.761 0.951 19946 3712 1 8 . 1 1 87 87 LEU HA H 87 5.295 5.295 5.208 0.087 19946 3713 1 8 . 1 1 87 87 LEU CA C 87 51.810 51.810 53.679 -1.869 19946 3714 1 8 . 1 1 87 87 LEU CB C 87 42.059 42.059 44.832 -2.773 19946 3715 1 8 . 1 1 87 87 LEU H H 87 8.785 8.785 9.082 -0.297 19946 3716 1 8 . 1 1 88 88 LEU N N 88 124.779 124.779 122.918 1.861 19946 3717 1 8 . 1 1 88 88 LEU HA H 88 4.434 4.434 4.677 -0.243 19946 3718 1 8 . 1 1 88 88 LEU CA C 88 54.331 54.331 53.332 0.999 19946 3719 1 8 . 1 1 88 88 LEU CB C 88 42.648 42.648 42.740 -0.092 19946 3720 1 8 . 1 1 88 88 LEU H H 88 8.243 8.243 8.478 -0.235 19946 3721 1 8 . 1 1 89 89 GLU N N 89 112.478 112.478 123.921 -11.443 19946 3722 1 8 . 1 1 89 89 GLU HA H 89 3.881 3.881 4.100 -0.219 19946 3723 1 8 . 1 1 89 89 GLU H H 89 9.343 9.343 8.225 1.118 19946 3724 1 8 . 1 1 90 90 ASP N N 90 120.709 120.709 123.857 -3.148 19946 3725 1 8 . 1 1 90 90 ASP HA H 90 4.168 4.168 4.799 -0.631 19946 3726 1 8 . 1 1 90 90 ASP H H 90 9.062 9.062 8.298 0.764 19946 3727 1 8 . 1 1 91 91 GLY N N 91 105.049 105.049 111.490 -6.441 19946 3728 1 8 . 1 1 91 91 GLY CA C 91 46.263 46.263 45.952 0.311 19946 3729 1 8 . 1 1 91 91 GLY H H 91 7.848 7.848 8.775 -0.927 19946 3730 1 8 . 1 1 92 92 ILE N N 92 122.127 122.127 126.305 -4.178 19946 3731 1 8 . 1 1 92 92 ILE HA H 92 3.811 3.811 3.706 0.105 19946 3732 1 8 . 1 1 92 92 ILE CA C 92 62.656 62.656 63.413 -0.757 19946 3733 1 8 . 1 1 92 92 ILE CB C 92 37.243 37.243 38.060 -0.817 19946 3734 1 8 . 1 1 92 92 ILE H H 92 8.077 8.077 8.832 -0.755 19946 3735 1 8 . 1 1 93 93 ASP N N 93 127.038 127.038 118.677 8.361 19946 3736 1 8 . 1 1 93 93 ASP HA H 93 4.452 4.452 4.319 0.133 19946 3737 1 8 . 1 1 93 93 ASP CA C 93 57.357 57.357 57.457 -0.100 19946 3738 1 8 . 1 1 93 93 ASP CB C 93 38.194 38.194 39.257 -1.063 19946 3739 1 8 . 1 1 93 93 ASP H H 93 9.094 9.094 8.580 0.514 19946 3740 1 8 . 1 1 94 94 GLY N N 94 111.411 111.411 108.374 3.037 19946 3741 1 8 . 1 1 94 94 GLY CA C 94 44.750 44.750 46.870 -2.120 19946 3742 1 8 . 1 1 94 94 GLY H H 94 8.047 8.047 8.864 -0.817 19946 3743 1 8 . 1 1 95 95 TRP N N 95 127.574 127.574 123.686 3.888 19946 3744 1 8 . 1 1 95 95 TRP HA H 95 3.738 3.738 4.168 -0.430 19946 3745 1 8 . 1 1 95 95 TRP CA C 95 60.852 60.852 59.770 1.082 19946 3746 1 8 . 1 1 95 95 TRP CB C 95 28.613 28.613 29.303 -0.690 19946 3747 1 8 . 1 1 95 95 TRP H H 95 7.918 7.918 8.757 -0.839 19946 3748 1 8 . 1 1 96 96 LYS N N 96 117.374 117.374 120.271 -2.897 19946 3749 1 8 . 1 1 96 96 LYS HA H 96 4.079 4.079 3.731 0.348 19946 3750 1 8 . 1 1 96 96 LYS CA C 96 59.091 59.091 58.945 0.146 19946 3751 1 8 . 1 1 96 96 LYS H H 96 8.625 8.625 8.482 0.143 19946 3752 1 8 . 1 1 97 97 LYS N N 97 123.490 123.490 119.355 4.135 19946 3753 1 8 . 1 1 97 97 LYS HA H 97 4.021 4.021 4.050 -0.029 19946 3754 1 8 . 1 1 97 97 LYS CB C 97 31.542 31.542 32.551 -1.009 19946 3755 1 8 . 1 1 97 97 LYS H H 97 8.233 8.233 8.200 0.033 19946 3756 1 8 . 1 1 98 98 ALA N N 98 120.321 120.321 119.306 1.015 19946 3757 1 8 . 1 1 98 98 ALA HA H 98 4.248 4.248 4.497 -0.249 19946 3758 1 8 . 1 1 98 98 ALA CA C 98 51.305 51.305 51.359 -0.054 19946 3759 1 8 . 1 1 98 98 ALA CB C 98 17.744 17.744 18.886 -1.142 19946 3760 1 8 . 1 1 98 98 ALA H H 98 7.480 7.480 7.863 -0.383 19946 3761 1 8 . 1 1 99 99 GLY N N 99 106.984 106.984 108.212 -1.228 19946 3762 1 8 . 1 1 99 99 GLY CA C 99 44.246 44.246 45.777 -1.531 19946 3763 1 8 . 1 1 99 99 GLY H H 99 7.867 7.867 8.432 -0.565 19946 3764 1 8 . 1 1 100 100 LEU N N 100 122.993 122.993 119.850 3.143 19946 3765 1 8 . 1 1 100 100 LEU HA H 100 4.277 4.277 4.365 -0.088 19946 3766 1 8 . 1 1 100 100 LEU CA C 100 52.314 52.314 50.636 1.678 19946 3767 1 8 . 1 1 100 100 LEU CB C 100 36.786 36.786 43.300 -6.514 19946 3768 1 8 . 1 1 100 100 LEU H H 100 6.958 6.958 7.129 -0.171 19946 3769 1 8 . 1 1 101 101 PRO HA H 101 4.492 4.492 4.529 -0.037 19946 3770 1 8 . 1 1 101 101 PRO CB C 101 32.097 32.097 31.902 0.195 19946 3771 1 8 . 1 1 102 102 VAL N N 102 111.514 111.514 115.384 -3.870 19946 3772 1 8 . 1 1 102 102 VAL HA H 102 4.367 4.367 4.374 -0.007 19946 3773 1 8 . 1 1 102 102 VAL CA C 102 58.869 58.869 60.824 -1.955 19946 3774 1 8 . 1 1 102 102 VAL CB C 102 35.351 35.351 31.881 3.470 19946 3775 1 8 . 1 1 102 102 VAL H H 102 7.988 7.988 8.276 -0.288 19946 3776 1 8 . 1 1 103 103 ALA N N 103 126.676 126.676 123.084 3.592 19946 3777 1 8 . 1 1 103 103 ALA HA H 103 4.524 4.524 4.347 0.177 19946 3778 1 8 . 1 1 103 103 ALA CA C 103 49.793 49.793 51.656 -1.863 19946 3779 1 8 . 1 1 103 103 ALA CB C 103 18.600 18.600 17.078 1.522 19946 3780 1 8 . 1 1 103 103 ALA H H 103 8.919 8.919 7.845 1.074 19946 3781 1 8 . 1 1 104 104 VAL N N 104 121.148 121.148 122.605 -1.457 19946 3782 1 8 . 1 1 104 104 VAL HA H 104 4.475 4.475 4.328 0.147 19946 3783 1 8 . 1 1 104 104 VAL CA C 104 59.374 59.374 61.835 -2.461 19946 3784 1 8 . 1 1 104 104 VAL CB C 104 33.884 33.884 32.513 1.371 19946 3785 1 8 . 1 1 104 104 VAL H H 104 8.241 8.241 7.742 0.499 19946 3786 1 8 . 1 1 105 105 ASN N N 105 123.816 123.816 119.735 4.081 19946 3787 1 8 . 1 1 105 105 ASN HA H 105 4.674 4.674 4.620 0.054 19946 3788 1 8 . 1 1 105 105 ASN CA C 105 53.200 53.200 54.978 -1.778 19946 3789 1 8 . 1 1 105 105 ASN CB C 105 37.959 37.959 38.725 -0.766 19946 3790 1 8 . 1 1 105 105 ASN H H 105 8.150 8.150 8.402 -0.252 19946 3791 1 8 . 1 1 106 106 LYS N N 106 123.804 123.804 122.067 1.737 19946 3792 1 8 . 1 1 106 106 LYS H H 106 8.340 8.340 8.257 0.083 19946 3793 1 9 . 1 1 2 2 LEU N N 2 120.763 120.763 120.903 -0.140 19946 3794 1 9 . 1 1 2 2 LEU HA H 2 4.384 4.384 5.297 -0.913 19946 3795 1 9 . 1 1 2 2 LEU CA C 2 53.827 53.827 53.198 0.629 19946 3796 1 9 . 1 1 2 2 LEU CB C 2 42.229 42.229 39.500 2.729 19946 3797 1 9 . 1 1 2 2 LEU H H 2 7.888 7.888 8.508 -0.620 19946 3798 1 9 . 1 1 3 3 THR N N 3 118.330 118.330 120.118 -1.788 19946 3799 1 9 . 1 1 3 3 THR HA H 3 4.469 4.469 4.673 -0.204 19946 3800 1 9 . 1 1 3 3 THR CA C 3 61.391 61.391 61.901 -0.510 19946 3801 1 9 . 1 1 3 3 THR CB C 3 69.496 69.496 69.974 -0.478 19946 3802 1 9 . 1 1 3 3 THR H H 3 7.905 7.905 8.284 -0.379 19946 3803 1 9 . 1 1 4 4 THR N N 4 122.024 122.024 116.225 5.799 19946 3804 1 9 . 1 1 4 4 THR HA H 4 5.171 5.171 5.647 -0.476 19946 3805 1 9 . 1 1 4 4 THR CA C 4 61.595 61.595 60.825 0.770 19946 3806 1 9 . 1 1 4 4 THR CB C 4 69.027 69.027 70.698 -1.671 19946 3807 1 9 . 1 1 4 4 THR H H 4 8.504 8.504 8.320 0.184 19946 3808 1 9 . 1 1 5 5 ILE N N 5 122.667 122.667 119.847 2.820 19946 3809 1 9 . 1 1 5 5 ILE HA H 5 4.973 4.973 4.268 0.705 19946 3810 1 9 . 1 1 5 5 ILE CA C 5 57.971 57.971 61.112 -3.141 19946 3811 1 9 . 1 1 5 5 ILE CB C 5 41.458 41.458 40.654 0.804 19946 3812 1 9 . 1 1 5 5 ILE H H 5 8.903 8.903 8.247 0.656 19946 3813 1 9 . 1 1 6 6 SER N N 6 123.156 123.156 112.707 10.449 19946 3814 1 9 . 1 1 6 6 SER HA H 6 4.785 4.785 4.613 0.172 19946 3815 1 9 . 1 1 6 6 SER H H 6 9.138 9.138 8.373 0.765 19946 3816 1 9 . 1 1 7 7 PRO HA H 7 4.004 4.004 4.724 -0.720 19946 3817 1 9 . 1 1 7 7 PRO CA C 7 65.510 65.510 62.829 2.681 19946 3818 1 9 . 1 1 7 7 PRO CB C 7 30.924 30.924 32.248 -1.324 19946 3819 1 9 . 1 1 8 8 HIS N N 8 114.319 114.319 118.285 -3.966 19946 3820 1 9 . 1 1 8 8 HIS HA H 8 3.989 3.989 4.192 -0.203 19946 3821 1 9 . 1 1 8 8 HIS CA C 8 60.050 60.050 59.344 0.706 19946 3822 1 9 . 1 1 8 8 HIS CB C 8 28.613 28.613 29.693 -1.080 19946 3823 1 9 . 1 1 8 8 HIS H H 8 8.127 8.127 8.750 -0.623 19946 3824 1 9 . 1 1 9 9 ASP N N 9 121.300 121.300 120.013 1.287 19946 3825 1 9 . 1 1 9 9 ASP HA H 9 4.301 4.301 4.371 -0.070 19946 3826 1 9 . 1 1 9 9 ASP CA C 9 56.455 56.455 57.553 -1.098 19946 3827 1 9 . 1 1 9 9 ASP CB C 9 38.699 38.699 40.284 -1.585 19946 3828 1 9 . 1 1 9 9 ASP H H 9 7.639 7.639 8.611 -0.972 19946 3829 1 9 . 1 1 10 10 ALA N N 10 123.991 123.991 120.180 3.811 19946 3830 1 9 . 1 1 10 10 ALA HA H 10 3.719 3.719 4.356 -0.637 19946 3831 1 9 . 1 1 10 10 ALA CA C 10 54.331 54.331 54.406 -0.075 19946 3832 1 9 . 1 1 10 10 ALA CB C 10 17.549 17.549 18.807 -1.258 19946 3833 1 9 . 1 1 10 10 ALA H H 10 8.820 8.820 8.743 0.077 19946 3834 1 9 . 1 1 11 11 GLN N N 11 118.128 118.128 116.601 1.527 19946 3835 1 9 . 1 1 11 11 GLN HA H 11 3.933 3.933 4.301 -0.368 19946 3836 1 9 . 1 1 11 11 GLN CA C 11 59.389 59.389 57.690 1.699 19946 3837 1 9 . 1 1 11 11 GLN CB C 11 27.948 27.948 28.637 -0.690 19946 3838 1 9 . 1 1 11 11 GLN H H 11 8.353 8.353 8.080 0.273 19946 3839 1 9 . 1 1 12 12 GLU N N 12 119.307 119.307 119.721 -0.414 19946 3840 1 9 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.263 -0.240 19946 3841 1 9 . 1 1 12 12 GLU CA C 12 58.476 58.476 58.092 0.384 19946 3842 1 9 . 1 1 12 12 GLU CB C 12 28.532 28.532 30.053 -1.521 19946 3843 1 9 . 1 1 12 12 GLU H H 12 7.197 7.197 7.565 -0.368 19946 3844 1 9 . 1 1 13 13 LEU N N 13 120.635 120.635 118.881 1.754 19946 3845 1 9 . 1 1 13 13 LEU HA H 13 3.821 3.821 4.232 -0.411 19946 3846 1 9 . 1 1 13 13 LEU CA C 13 57.065 57.065 57.383 -0.318 19946 3847 1 9 . 1 1 13 13 LEU CB C 13 40.890 40.890 42.282 -1.392 19946 3848 1 9 . 1 1 13 13 LEU H H 13 7.554 7.554 7.528 0.026 19946 3849 1 9 . 1 1 14 14 ILE N N 14 123.021 123.021 118.783 4.238 19946 3850 1 9 . 1 1 14 14 ILE HA H 14 3.827 3.827 3.883 -0.056 19946 3851 1 9 . 1 1 14 14 ILE CA C 14 64.053 64.053 64.596 -0.543 19946 3852 1 9 . 1 1 14 14 ILE CB C 14 38.115 38.115 38.006 0.109 19946 3853 1 9 . 1 1 14 14 ILE H H 14 8.710 8.710 7.655 1.055 19946 3854 1 9 . 1 1 15 15 ALA N N 15 124.504 124.504 118.810 5.694 19946 3855 1 9 . 1 1 15 15 ALA HA H 15 4.115 4.115 4.202 -0.087 19946 3856 1 9 . 1 1 15 15 ALA CA C 15 54.257 54.257 53.631 0.626 19946 3857 1 9 . 1 1 15 15 ALA CB C 15 17.040 17.040 18.532 -1.492 19946 3858 1 9 . 1 1 15 15 ALA H H 15 7.758 7.758 7.705 0.053 19946 3859 1 9 . 1 1 16 16 ARG N N 16 115.990 115.990 117.529 -1.539 19946 3860 1 9 . 1 1 16 16 ARG HA H 16 4.348 4.348 4.419 -0.071 19946 3861 1 9 . 1 1 16 16 ARG CA C 16 55.416 55.416 55.977 -0.561 19946 3862 1 9 . 1 1 16 16 ARG CB C 16 29.762 29.762 31.052 -1.290 19946 3863 1 9 . 1 1 16 16 ARG H H 16 7.252 7.252 7.885 -0.633 19946 3864 1 9 . 1 1 17 17 GLY N N 17 107.981 107.981 107.138 0.843 19946 3865 1 9 . 1 1 17 17 GLY CA C 17 44.854 44.854 44.636 0.218 19946 3866 1 9 . 1 1 17 17 GLY H H 17 7.748 7.748 7.467 0.281 19946 3867 1 9 . 1 1 18 18 ALA N N 18 123.914 123.914 121.615 2.299 19946 3868 1 9 . 1 1 18 18 ALA HA H 18 4.221 4.221 4.355 -0.134 19946 3869 1 9 . 1 1 18 18 ALA CA C 18 52.270 52.270 52.356 -0.086 19946 3870 1 9 . 1 1 18 18 ALA CB C 18 18.638 18.638 20.015 -1.377 19946 3871 1 9 . 1 1 18 18 ALA H H 18 7.940 7.940 8.010 -0.070 19946 3872 1 9 . 1 1 19 19 LYS N N 19 119.436 119.436 119.282 0.154 19946 3873 1 9 . 1 1 19 19 LYS HA H 19 4.301 4.301 4.473 -0.172 19946 3874 1 9 . 1 1 19 19 LYS CA C 19 53.105 53.105 55.668 -2.563 19946 3875 1 9 . 1 1 19 19 LYS CB C 19 32.856 32.856 34.394 -1.538 19946 3876 1 9 . 1 1 19 19 LYS H H 19 7.565 7.565 8.385 -0.820 19946 3877 1 9 . 1 1 20 20 LEU N N 20 127.401 127.401 126.600 0.801 19946 3878 1 9 . 1 1 20 20 LEU HA H 20 5.042 5.042 4.546 0.496 19946 3879 1 9 . 1 1 20 20 LEU CA C 20 52.314 52.314 54.537 -2.223 19946 3880 1 9 . 1 1 20 20 LEU CB C 20 43.234 43.234 43.851 -0.617 19946 3881 1 9 . 1 1 20 20 LEU H H 20 8.727 8.727 8.001 0.726 19946 3882 1 9 . 1 1 21 21 ILE N N 21 128.186 128.186 128.089 0.097 19946 3883 1 9 . 1 1 21 21 ILE HA H 21 4.547 4.547 4.612 -0.065 19946 3884 1 9 . 1 1 21 21 ILE CA C 21 59.589 59.589 59.698 -0.109 19946 3885 1 9 . 1 1 21 21 ILE CB C 21 38.545 38.545 40.890 -2.345 19946 3886 1 9 . 1 1 21 21 ILE H H 21 9.366 9.366 8.127 1.239 19946 3887 1 9 . 1 1 22 22 ASP N N 22 129.968 129.968 129.896 0.072 19946 3888 1 9 . 1 1 22 22 ASP HA H 22 3.803 3.803 4.795 -0.992 19946 3889 1 9 . 1 1 22 22 ASP CA C 22 51.435 51.435 53.680 -2.245 19946 3890 1 9 . 1 1 22 22 ASP CB C 22 42.062 42.062 41.268 0.794 19946 3891 1 9 . 1 1 22 22 ASP H H 22 8.583 8.583 8.176 0.407 19946 3892 1 9 . 1 1 23 23 ILE N N 23 116.266 116.266 119.419 -3.153 19946 3893 1 9 . 1 1 23 23 ILE HA H 23 5.229 5.229 4.206 1.023 19946 3894 1 9 . 1 1 23 23 ILE CA C 23 59.374 59.374 59.845 -0.471 19946 3895 1 9 . 1 1 23 23 ILE CB C 23 37.327 37.327 35.676 1.651 19946 3896 1 9 . 1 1 23 23 ILE H H 23 7.836 7.836 7.581 0.255 19946 3897 1 9 . 1 1 24 24 ARG N N 24 125.001 125.001 119.334 5.667 19946 3898 1 9 . 1 1 24 24 ARG HA H 24 4.116 4.116 4.468 -0.352 19946 3899 1 9 . 1 1 24 24 ARG CA C 24 55.943 55.943 54.597 1.346 19946 3900 1 9 . 1 1 24 24 ARG CB C 24 30.135 30.135 32.190 -2.055 19946 3901 1 9 . 1 1 24 24 ARG H H 24 8.195 8.195 7.426 0.769 19946 3902 1 9 . 1 1 25 25 ASP N N 25 112.839 112.839 120.091 -7.252 19946 3903 1 9 . 1 1 25 25 ASP HA H 25 4.545 4.545 4.461 0.084 19946 3904 1 9 . 1 1 25 25 ASP CA C 25 53.870 53.870 55.277 -1.407 19946 3905 1 9 . 1 1 25 25 ASP CB C 25 41.327 41.327 41.016 0.311 19946 3906 1 9 . 1 1 25 25 ASP H H 25 7.660 7.660 8.575 -0.915 19946 3907 1 9 . 1 1 26 26 ALA N N 26 122.145 122.145 124.476 -2.331 19946 3908 1 9 . 1 1 26 26 ALA HA H 26 3.897 3.897 4.393 -0.496 19946 3909 1 9 . 1 1 26 26 ALA CA C 26 54.958 54.958 53.078 1.880 19946 3910 1 9 . 1 1 26 26 ALA CB C 26 17.520 17.520 20.195 -2.675 19946 3911 1 9 . 1 1 26 26 ALA H H 26 8.766 8.766 8.135 0.631 19946 3912 1 9 . 1 1 27 27 ASP N N 27 115.380 115.380 117.866 -2.486 19946 3913 1 9 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.488 -0.189 19946 3914 1 9 . 1 1 27 27 ASP CA C 27 56.451 56.451 55.529 0.922 19946 3915 1 9 . 1 1 27 27 ASP CB C 27 39.156 39.156 40.239 -1.083 19946 3916 1 9 . 1 1 27 27 ASP H H 27 8.686 8.686 8.303 0.383 19946 3917 1 9 . 1 1 28 28 GLU N N 28 120.081 120.081 118.748 1.333 19946 3918 1 9 . 1 1 28 28 GLU HA H 28 4.086 4.086 4.159 -0.073 19946 3919 1 9 . 1 1 28 28 GLU CA C 28 58.389 58.389 58.639 -0.250 19946 3920 1 9 . 1 1 28 28 GLU CB C 28 28.728 28.728 29.651 -0.923 19946 3921 1 9 . 1 1 28 28 GLU H H 28 7.397 7.397 8.656 -1.259 19946 3922 1 9 . 1 1 29 29 TYR N N 29 121.205 121.205 117.331 3.874 19946 3923 1 9 . 1 1 29 29 TYR HA H 29 4.083 4.083 4.497 -0.414 19946 3924 1 9 . 1 1 29 29 TYR CA C 29 60.378 60.378 58.182 2.196 19946 3925 1 9 . 1 1 29 29 TYR CB C 29 38.699 38.699 40.286 -1.587 19946 3926 1 9 . 1 1 29 29 TYR H H 29 7.506 7.506 7.507 -0.001 19946 3927 1 9 . 1 1 30 30 LEU N N 30 118.828 118.828 119.999 -1.171 19946 3928 1 9 . 1 1 30 30 LEU HA H 30 3.850 3.850 3.901 -0.051 19946 3929 1 9 . 1 1 30 30 LEU CA C 30 56.348 56.348 55.824 0.524 19946 3930 1 9 . 1 1 30 30 LEU CB C 30 41.220 41.220 40.467 0.753 19946 3931 1 9 . 1 1 30 30 LEU H H 30 8.211 8.211 8.061 0.150 19946 3932 1 9 . 1 1 31 31 ARG N N 31 118.220 118.220 117.742 0.478 19946 3933 1 9 . 1 1 31 31 ARG HA H 31 4.101 4.101 4.183 -0.082 19946 3934 1 9 . 1 1 31 31 ARG CA C 31 58.365 58.365 56.996 1.369 19946 3935 1 9 . 1 1 31 31 ARG CB C 31 30.074 30.074 30.889 -0.815 19946 3936 1 9 . 1 1 31 31 ARG H H 31 7.120 7.120 8.306 -1.186 19946 3937 1 9 . 1 1 32 32 GLU N N 32 117.980 117.980 117.292 0.688 19946 3938 1 9 . 1 1 32 32 GLU HA H 32 4.884 4.884 4.352 0.532 19946 3939 1 9 . 1 1 32 32 GLU CA C 32 55.339 55.339 56.418 -1.079 19946 3940 1 9 . 1 1 32 32 GLU CB C 32 31.698 31.698 30.793 0.905 19946 3941 1 9 . 1 1 32 32 GLU H H 32 7.506 7.506 8.363 -0.857 19946 3942 1 9 . 1 1 33 33 HIS N N 33 118.257 118.257 118.744 -0.487 19946 3943 1 9 . 1 1 33 33 HIS HA H 33 4.643 4.643 4.726 -0.083 19946 3944 1 9 . 1 1 33 33 HIS CA C 33 53.766 53.766 54.654 -0.888 19946 3945 1 9 . 1 1 33 33 HIS CB C 33 29.940 29.940 32.709 -2.769 19946 3946 1 9 . 1 1 33 33 HIS H H 33 8.269 8.269 8.356 -0.087 19946 3947 1 9 . 1 1 34 34 ILE N N 34 127.809 127.809 118.697 9.112 19946 3948 1 9 . 1 1 34 34 ILE HA H 34 3.920 3.920 4.338 -0.417 19946 3949 1 9 . 1 1 34 34 ILE CA C 34 59.648 59.648 58.510 1.138 19946 3950 1 9 . 1 1 34 34 ILE CB C 34 37.959 37.959 42.604 -4.645 19946 3951 1 9 . 1 1 34 34 ILE H H 34 9.989 9.989 8.108 1.881 19946 3952 1 9 . 1 1 35 35 PRO HA H 35 4.198 4.198 4.249 -0.051 19946 3953 1 9 . 1 1 36 36 GLU N N 36 114.414 114.414 122.663 -8.249 19946 3954 1 9 . 1 1 36 36 GLU HA H 36 4.082 4.082 3.758 0.324 19946 3955 1 9 . 1 1 36 36 GLU CA C 36 57.861 57.861 56.686 1.175 19946 3956 1 9 . 1 1 36 36 GLU CB C 36 28.109 28.109 29.062 -0.954 19946 3957 1 9 . 1 1 36 36 GLU H H 36 8.557 8.557 8.398 0.159 19946 3958 1 9 . 1 1 37 37 ALA N N 37 122.882 122.882 123.950 -1.068 19946 3959 1 9 . 1 1 37 37 ALA HA H 37 4.439 4.439 5.030 -0.591 19946 3960 1 9 . 1 1 37 37 ALA CA C 37 52.005 52.005 50.802 1.203 19946 3961 1 9 . 1 1 37 37 ALA CB C 37 20.438 20.438 22.437 -1.999 19946 3962 1 9 . 1 1 37 37 ALA H H 37 8.096 8.096 8.006 0.090 19946 3963 1 9 . 1 1 38 38 ASP N N 38 124.471 124.471 116.230 8.241 19946 3964 1 9 . 1 1 38 38 ASP HA H 38 4.844 4.844 4.588 0.256 19946 3965 1 9 . 1 1 38 38 ASP CA C 38 52.614 52.614 53.540 -0.926 19946 3966 1 9 . 1 1 38 38 ASP CB C 38 44.407 44.407 41.233 3.174 19946 3967 1 9 . 1 1 38 38 ASP H H 38 9.004 9.004 8.211 0.793 19946 3968 1 9 . 1 1 39 39 LEU N N 39 123.936 123.936 123.976 -0.040 19946 3969 1 9 . 1 1 39 39 LEU HA H 39 4.328 4.328 3.988 0.340 19946 3970 1 9 . 1 1 39 39 LEU CA C 39 54.037 54.037 56.228 -2.191 19946 3971 1 9 . 1 1 39 39 LEU CB C 39 41.220 41.220 41.754 -0.534 19946 3972 1 9 . 1 1 39 39 LEU H H 39 8.125 8.125 8.750 -0.625 19946 3973 1 9 . 1 1 40 40 ALA N N 40 131.297 131.297 127.948 3.349 19946 3974 1 9 . 1 1 40 40 ALA HA H 40 4.408 4.408 4.479 -0.071 19946 3975 1 9 . 1 1 40 40 ALA CA C 40 48.784 48.784 50.704 -1.920 19946 3976 1 9 . 1 1 40 40 ALA CB C 40 17.979 17.979 19.581 -1.603 19946 3977 1 9 . 1 1 40 40 ALA H H 40 8.654 8.654 8.111 0.543 19946 3978 1 9 . 1 1 41 41 PRO HA H 41 4.101 4.101 4.624 -0.523 19946 3979 1 9 . 1 1 41 41 PRO CA C 41 61.391 61.391 62.377 -0.986 19946 3980 1 9 . 1 1 41 41 PRO CB C 41 32.097 32.097 32.384 -0.287 19946 3981 1 9 . 1 1 42 42 LEU N N 42 125.312 125.312 122.038 3.274 19946 3982 1 9 . 1 1 42 42 LEU HA H 42 3.871 3.871 3.911 -0.040 19946 3983 1 9 . 1 1 42 42 LEU CA C 42 57.861 57.861 58.542 -0.681 19946 3984 1 9 . 1 1 42 42 LEU CB C 42 40.941 40.941 41.135 -0.194 19946 3985 1 9 . 1 1 42 42 LEU H H 42 8.285 8.285 8.350 -0.065 19946 3986 1 9 . 1 1 43 43 SER N N 43 110.669 110.669 115.213 -4.544 19946 3987 1 9 . 1 1 43 43 SER HA H 43 4.106 4.106 4.043 0.063 19946 3988 1 9 . 1 1 43 43 SER CA C 43 60.497 60.497 61.776 -1.279 19946 3989 1 9 . 1 1 43 43 SER CB C 43 61.391 61.391 62.797 -1.406 19946 3990 1 9 . 1 1 43 43 SER H H 43 8.453 8.453 8.192 0.261 19946 3991 1 9 . 1 1 44 44 VAL N N 44 123.933 123.933 122.105 1.828 19946 3992 1 9 . 1 1 44 44 VAL HA H 44 3.821 3.821 3.775 0.046 19946 3993 1 9 . 1 1 44 44 VAL CA C 44 64.752 64.752 66.199 -1.447 19946 3994 1 9 . 1 1 44 44 VAL CB C 44 31.135 31.135 31.697 -0.562 19946 3995 1 9 . 1 1 44 44 VAL H H 44 7.156 7.156 8.064 -0.908 19946 3996 1 9 . 1 1 45 45 LEU N N 45 121.150 121.150 119.506 1.644 19946 3997 1 9 . 1 1 45 45 LEU HA H 45 3.767 3.767 3.931 -0.164 19946 3998 1 9 . 1 1 45 45 LEU CA C 45 56.599 56.599 58.170 -1.571 19946 3999 1 9 . 1 1 45 45 LEU CB C 45 40.890 40.890 41.353 -0.463 19946 4000 1 9 . 1 1 45 45 LEU H H 45 7.997 7.997 8.770 -0.773 19946 4001 1 9 . 1 1 46 46 GLU N N 46 116.256 116.256 118.961 -2.705 19946 4002 1 9 . 1 1 46 46 GLU HA H 46 3.678 3.678 4.181 -0.503 19946 4003 1 9 . 1 1 46 46 GLU CA C 46 58.365 58.365 58.741 -0.376 19946 4004 1 9 . 1 1 46 46 GLU CB C 46 29.622 29.622 29.788 -0.166 19946 4005 1 9 . 1 1 46 46 GLU H H 46 8.501 8.501 8.225 0.276 19946 4006 1 9 . 1 1 47 47 GLN N N 47 117.261 117.261 117.800 -0.539 19946 4007 1 9 . 1 1 47 47 GLN HA H 47 4.216 4.216 4.137 0.079 19946 4008 1 9 . 1 1 47 47 GLN CA C 47 56.852 56.852 58.227 -1.375 19946 4009 1 9 . 1 1 47 47 GLN CB C 47 29.119 29.119 29.013 0.106 19946 4010 1 9 . 1 1 47 47 GLN H H 47 7.407 7.407 8.252 -0.845 19946 4011 1 9 . 1 1 48 48 SER N N 48 111.890 111.890 112.862 -0.972 19946 4012 1 9 . 1 1 48 48 SER HA H 48 4.641 4.641 4.519 0.122 19946 4013 1 9 . 1 1 48 48 SER CA C 48 57.956 57.956 58.251 -0.295 19946 4014 1 9 . 1 1 48 48 SER CB C 48 63.912 63.912 64.801 -0.889 19946 4015 1 9 . 1 1 48 48 SER H H 48 8.566 8.566 8.405 0.161 19946 4016 1 9 . 1 1 49 49 GLY N N 49 111.545 111.545 110.065 1.480 19946 4017 1 9 . 1 1 49 49 GLY CA C 49 43.894 43.894 45.232 -1.338 19946 4018 1 9 . 1 1 49 49 GLY H H 49 7.836 7.836 7.379 0.457 19946 4019 1 9 . 1 1 50 50 LEU N N 50 121.541 121.541 122.544 -1.003 19946 4020 1 9 . 1 1 50 50 LEU HA H 50 4.239 4.239 4.061 0.178 19946 4021 1 9 . 1 1 50 50 LEU CA C 50 51.985 51.985 54.534 -2.549 19946 4022 1 9 . 1 1 50 50 LEU CB C 50 42.648 42.648 42.154 0.494 19946 4023 1 9 . 1 1 50 50 LEU H H 50 8.564 8.564 8.216 0.348 19946 4024 1 9 . 1 1 51 51 PRO HA H 51 4.243 4.243 4.515 -0.272 19946 4025 1 9 . 1 1 51 51 PRO CB C 51 31.639 31.639 32.668 -1.029 19946 4026 1 9 . 1 1 52 52 ALA N N 52 127.008 127.008 127.319 -0.311 19946 4027 1 9 . 1 1 52 52 ALA HA H 52 3.790 3.790 4.197 -0.407 19946 4028 1 9 . 1 1 52 52 ALA CA C 52 54.835 54.835 54.205 0.630 19946 4029 1 9 . 1 1 52 52 ALA CB C 52 17.715 17.715 18.666 -0.951 19946 4030 1 9 . 1 1 52 52 ALA H H 52 8.564 8.564 8.648 -0.084 19946 4031 1 9 . 1 1 53 53 LYS N N 53 114.535 114.535 115.987 -1.452 19946 4032 1 9 . 1 1 53 53 LYS HA H 53 4.106 4.106 4.185 -0.079 19946 4033 1 9 . 1 1 53 53 LYS CA C 53 56.852 56.852 57.671 -0.819 19946 4034 1 9 . 1 1 53 53 LYS CB C 53 31.386 31.386 32.255 -0.869 19946 4035 1 9 . 1 1 53 53 LYS H H 53 8.364 8.364 8.333 0.031 19946 4036 1 9 . 1 1 54 54 LEU N N 54 118.515 118.515 118.020 0.495 19946 4037 1 9 . 1 1 54 54 LEU HA H 54 4.247 4.247 4.545 -0.298 19946 4038 1 9 . 1 1 54 54 LEU CA C 54 53.338 53.338 53.672 -0.334 19946 4039 1 9 . 1 1 54 54 LEU CB C 54 40.890 40.890 41.897 -1.007 19946 4040 1 9 . 1 1 54 54 LEU H H 54 7.745 7.745 7.121 0.624 19946 4041 1 9 . 1 1 55 55 ARG N N 55 117.612 117.612 121.459 -3.847 19946 4042 1 9 . 1 1 55 55 ARG HA H 55 3.927 3.927 4.490 -0.563 19946 4043 1 9 . 1 1 55 55 ARG CA C 55 56.832 56.832 55.701 1.131 19946 4044 1 9 . 1 1 55 55 ARG CB C 55 28.610 28.610 31.873 -3.263 19946 4045 1 9 . 1 1 55 55 ARG H H 55 6.938 6.938 7.517 -0.579 19946 4046 1 9 . 1 1 56 56 HIS N N 56 123.269 123.269 120.829 2.440 19946 4047 1 9 . 1 1 56 56 HIS HA H 56 4.614 4.614 4.729 -0.115 19946 4048 1 9 . 1 1 56 56 HIS CA C 56 54.835 54.835 55.210 -0.375 19946 4049 1 9 . 1 1 56 56 HIS CB C 56 32.648 32.648 31.752 0.896 19946 4050 1 9 . 1 1 56 56 HIS H H 56 7.237 7.237 8.469 -1.232 19946 4051 1 9 . 1 1 57 57 GLU N N 57 120.895 120.895 119.596 1.299 19946 4052 1 9 . 1 1 57 57 GLU HA H 57 3.976 3.976 4.429 -0.453 19946 4053 1 9 . 1 1 57 57 GLU CA C 57 58.871 58.871 57.769 1.102 19946 4054 1 9 . 1 1 57 57 GLU CB C 57 29.158 29.158 31.312 -2.154 19946 4055 1 9 . 1 1 57 57 GLU H H 57 7.625 7.625 8.403 -0.778 19946 4056 1 9 . 1 1 58 58 GLN N N 58 118.485 118.485 117.553 0.932 19946 4057 1 9 . 1 1 58 58 GLN HA H 58 5.425 5.425 4.389 1.036 19946 4058 1 9 . 1 1 58 58 GLN CA C 58 54.910 54.910 54.389 0.521 19946 4059 1 9 . 1 1 58 58 GLN CB C 58 32.285 32.285 29.894 2.391 19946 4060 1 9 . 1 1 58 58 GLN H H 58 8.335 8.335 8.169 0.166 19946 4061 1 9 . 1 1 59 59 ILE N N 59 123.505 123.505 118.975 4.530 19946 4062 1 9 . 1 1 59 59 ILE HA H 59 4.492 4.492 4.517 -0.025 19946 4063 1 9 . 1 1 59 59 ILE CA C 59 58.869 58.869 59.273 -0.404 19946 4064 1 9 . 1 1 59 59 ILE CB C 59 42.332 42.332 40.897 1.435 19946 4065 1 9 . 1 1 59 59 ILE H H 59 8.704 8.704 8.304 0.400 19946 4066 1 9 . 1 1 60 60 ILE N N 60 126.464 126.464 118.308 8.156 19946 4067 1 9 . 1 1 60 60 ILE HA H 60 4.954 4.954 5.452 -0.498 19946 4068 1 9 . 1 1 60 60 ILE CA C 60 57.357 57.357 59.074 -1.717 19946 4069 1 9 . 1 1 60 60 ILE CB C 60 39.131 39.131 40.473 -1.342 19946 4070 1 9 . 1 1 60 60 ILE H H 60 9.006 9.006 8.372 0.634 19946 4071 1 9 . 1 1 61 61 PHE N N 61 124.441 124.441 125.672 -1.231 19946 4072 1 9 . 1 1 61 61 PHE HA H 61 5.795 5.795 4.986 0.809 19946 4073 1 9 . 1 1 61 61 PHE CA C 61 56.131 56.131 57.077 -0.946 19946 4074 1 9 . 1 1 61 61 PHE CB C 61 42.879 42.879 41.236 1.643 19946 4075 1 9 . 1 1 61 61 PHE H H 61 8.938 8.938 8.699 0.239 19946 4076 1 9 . 1 1 62 62 HIS N N 62 117.494 117.494 123.529 -6.035 19946 4077 1 9 . 1 1 62 62 HIS HA H 62 5.928 5.928 4.820 1.108 19946 4078 1 9 . 1 1 62 62 HIS CA C 62 53.322 53.322 56.525 -3.203 19946 4079 1 9 . 1 1 62 62 HIS CB C 62 35.673 35.673 33.689 1.984 19946 4080 1 9 . 1 1 62 62 HIS H H 62 9.230 9.230 7.943 1.287 19946 4081 1 9 . 1 1 63 63 CYS N N 63 120.220 120.220 116.636 3.584 19946 4082 1 9 . 1 1 63 63 CYS HA H 63 5.033 5.033 4.573 0.460 19946 4083 1 9 . 1 1 63 63 CYS CA C 63 56.131 56.131 59.459 -3.328 19946 4084 1 9 . 1 1 63 63 CYS CB C 63 28.109 28.109 30.983 -2.874 19946 4085 1 9 . 1 1 63 63 CYS H H 63 8.131 8.131 8.681 -0.550 19946 4086 1 9 . 1 1 65 65 ALA N N 65 119.272 119.272 122.613 -3.341 19946 4087 1 9 . 1 1 65 65 ALA HA H 65 5.063 5.063 4.561 0.502 19946 4088 1 9 . 1 1 65 65 ALA CA C 65 49.793 49.793 52.253 -2.460 19946 4089 1 9 . 1 1 65 65 ALA CB C 65 19.775 19.775 19.983 -0.208 19946 4090 1 9 . 1 1 65 65 ALA H H 65 8.967 8.967 7.920 1.047 19946 4091 1 9 . 1 1 66 66 GLY N N 66 113.296 113.296 106.852 6.444 19946 4092 1 9 . 1 1 66 66 GLY CA C 66 44.934 44.934 45.922 -0.989 19946 4093 1 9 . 1 1 66 66 GLY H H 66 8.778 8.778 7.670 1.108 19946 4094 1 9 . 1 1 67 67 LYS N N 67 121.300 121.300 120.961 0.339 19946 4095 1 9 . 1 1 67 67 LYS HA H 67 4.211 4.211 4.261 -0.050 19946 4096 1 9 . 1 1 67 67 LYS H H 67 8.111 8.111 8.627 -0.516 19946 4097 1 9 . 1 1 68 68 ARG N N 68 126.092 126.092 119.574 6.518 19946 4098 1 9 . 1 1 68 68 ARG H H 68 9.067 9.067 8.727 0.340 19946 4099 1 9 . 1 1 69 69 THR N N 69 117.153 117.153 110.819 6.334 19946 4100 1 9 . 1 1 69 69 THR HA H 69 3.576 3.576 4.089 -0.513 19946 4101 1 9 . 1 1 69 69 THR CA C 69 65.397 65.397 64.394 1.003 19946 4102 1 9 . 1 1 69 69 THR CB C 69 66.938 66.938 68.639 -1.701 19946 4103 1 9 . 1 1 69 69 THR H H 69 10.233 10.233 8.658 1.575 19946 4104 1 9 . 1 1 70 70 SER N N 70 113.686 113.686 116.441 -2.755 19946 4105 1 9 . 1 1 70 70 SER HA H 70 4.091 4.091 4.270 -0.179 19946 4106 1 9 . 1 1 70 70 SER CA C 70 61.391 61.391 60.170 1.221 19946 4107 1 9 . 1 1 70 70 SER CB C 70 65.425 65.425 62.760 2.665 19946 4108 1 9 . 1 1 70 70 SER H H 70 7.322 7.322 8.193 -0.871 19946 4109 1 9 . 1 1 71 71 ASN N N 71 118.257 118.257 120.131 -1.874 19946 4110 1 9 . 1 1 71 71 ASN HA H 71 4.177 4.177 4.660 -0.483 19946 4111 1 9 . 1 1 71 71 ASN CA C 71 54.736 54.736 55.201 -0.465 19946 4112 1 9 . 1 1 71 71 ASN CB C 71 38.391 38.391 38.772 -0.381 19946 4113 1 9 . 1 1 71 71 ASN H H 71 7.863 7.863 7.811 0.052 19946 4114 1 9 . 1 1 72 72 ASN N N 72 115.529 115.529 117.413 -1.884 19946 4115 1 9 . 1 1 72 72 ASN HA H 72 5.127 5.127 4.874 0.253 19946 4116 1 9 . 1 1 72 72 ASN CA C 72 52.173 52.173 52.659 -0.486 19946 4117 1 9 . 1 1 72 72 ASN CB C 72 39.165 39.165 38.668 0.497 19946 4118 1 9 . 1 1 72 72 ASN H H 72 7.238 7.238 7.939 -0.701 19946 4119 1 9 . 1 1 73 73 ALA N N 73 125.388 125.388 123.228 2.160 19946 4120 1 9 . 1 1 73 73 ALA HA H 73 3.639 3.639 3.937 -0.298 19946 4121 1 9 . 1 1 73 73 ALA CA C 73 56.133 56.133 55.260 0.873 19946 4122 1 9 . 1 1 73 73 ALA CB C 73 18.528 18.528 18.712 -0.184 19946 4123 1 9 . 1 1 73 73 ALA H H 73 7.081 7.081 7.937 -0.856 19946 4124 1 9 . 1 1 74 74 ASP N N 74 115.501 115.501 118.056 -2.555 19946 4125 1 9 . 1 1 74 74 ASP HA H 74 4.135 4.135 4.290 -0.155 19946 4126 1 9 . 1 1 74 74 ASP CA C 74 55.891 55.891 58.078 -2.187 19946 4127 1 9 . 1 1 74 74 ASP CB C 74 38.699 38.699 40.775 -2.076 19946 4128 1 9 . 1 1 74 74 ASP H H 74 8.346 8.346 8.228 0.118 19946 4129 1 9 . 1 1 75 75 LYS N N 75 122.469 122.469 118.718 3.751 19946 4130 1 9 . 1 1 75 75 LYS HA H 75 4.024 4.024 4.039 -0.015 19946 4131 1 9 . 1 1 75 75 LYS CA C 75 57.861 57.861 58.786 -0.925 19946 4132 1 9 . 1 1 75 75 LYS CB C 75 31.660 31.660 32.247 -0.587 19946 4133 1 9 . 1 1 75 75 LYS H H 75 7.583 7.583 7.792 -0.209 19946 4134 1 9 . 1 1 76 76 LEU N N 76 119.196 119.196 119.615 -0.419 19946 4135 1 9 . 1 1 76 76 LEU HA H 76 3.570 3.570 3.973 -0.403 19946 4136 1 9 . 1 1 76 76 LEU CA C 76 56.852 56.852 57.411 -0.559 19946 4137 1 9 . 1 1 76 76 LEU CB C 76 39.245 39.245 42.022 -2.777 19946 4138 1 9 . 1 1 76 76 LEU H H 76 8.069 8.069 7.531 0.538 19946 4139 1 9 . 1 1 77 77 ALA N N 77 120.302 120.302 119.276 1.026 19946 4140 1 9 . 1 1 77 77 ALA HA H 77 3.985 3.985 4.037 -0.052 19946 4141 1 9 . 1 1 77 77 ALA CA C 77 53.794 53.794 52.731 1.063 19946 4142 1 9 . 1 1 77 77 ALA CB C 77 17.353 17.353 18.300 -0.947 19946 4143 1 9 . 1 1 77 77 ALA H H 77 8.063 8.063 8.210 -0.147 19946 4144 1 9 . 1 1 78 78 ALA N N 78 119.602 119.602 118.578 1.024 19946 4145 1 9 . 1 1 78 78 ALA HA H 78 4.138 4.138 4.518 -0.380 19946 4146 1 9 . 1 1 78 78 ALA CA C 78 54.049 54.049 52.523 1.526 19946 4147 1 9 . 1 1 78 78 ALA CB C 78 17.520 17.520 18.948 -1.428 19946 4148 1 9 . 1 1 78 78 ALA H H 78 7.274 7.274 7.247 0.027 19946 4149 1 9 . 1 1 79 79 ILE N N 79 118.809 118.809 119.763 -0.954 19946 4150 1 9 . 1 1 79 79 ILE HA H 79 3.798 3.798 3.877 -0.079 19946 4151 1 9 . 1 1 79 79 ILE CA C 79 63.354 63.354 63.302 0.052 19946 4152 1 9 . 1 1 79 79 ILE CB C 79 38.422 38.422 39.309 -0.887 19946 4153 1 9 . 1 1 79 79 ILE H H 79 8.170 8.170 7.270 0.900 19946 4154 1 9 . 1 1 80 80 ALA N N 80 118.736 118.736 119.931 -1.195 19946 4155 1 9 . 1 1 80 80 ALA HA H 80 4.412 4.412 4.461 -0.049 19946 4156 1 9 . 1 1 80 80 ALA CA C 80 50.801 50.801 50.606 0.195 19946 4157 1 9 . 1 1 80 80 ALA CB C 80 19.537 19.537 18.216 1.321 19946 4158 1 9 . 1 1 80 80 ALA H H 80 7.857 7.857 7.309 0.548 19946 4159 1 9 . 1 1 81 81 ALA N N 81 124.485 124.485 123.076 1.409 19946 4160 1 9 . 1 1 81 81 ALA HA H 81 4.353 4.353 4.799 -0.446 19946 4161 1 9 . 1 1 81 81 ALA CA C 81 51.305 51.305 49.637 1.668 19946 4162 1 9 . 1 1 81 81 ALA CB C 81 16.511 16.511 19.232 -2.721 19946 4163 1 9 . 1 1 81 81 ALA H H 81 7.191 7.191 7.366 -0.175 19946 4164 1 9 . 1 1 82 82 PRO CA C 82 62.903 62.903 63.016 -0.113 19946 4165 1 9 . 1 1 83 83 ALA N N 83 128.367 128.367 126.149 2.218 19946 4166 1 9 . 1 1 83 83 ALA HA H 83 4.058 4.058 4.538 -0.480 19946 4167 1 9 . 1 1 83 83 ALA CA C 83 52.314 52.314 51.990 0.324 19946 4168 1 9 . 1 1 83 83 ALA CB C 83 19.001 19.001 21.864 -2.863 19946 4169 1 9 . 1 1 83 83 ALA H H 83 8.472 8.472 8.200 0.272 19946 4170 1 9 . 1 1 84 84 GLU N N 84 122.108 122.108 120.756 1.352 19946 4171 1 9 . 1 1 84 84 GLU HA H 84 4.164 4.164 4.679 -0.515 19946 4172 1 9 . 1 1 84 84 GLU CA C 84 55.937 55.937 54.770 1.167 19946 4173 1 9 . 1 1 84 84 GLU CB C 84 30.213 30.213 29.596 0.617 19946 4174 1 9 . 1 1 84 84 GLU H H 84 8.106 8.106 8.288 -0.182 19946 4175 1 9 . 1 1 85 85 ILE N N 85 122.808 122.808 118.290 4.518 19946 4176 1 9 . 1 1 85 85 ILE HA H 85 5.211 5.211 4.107 1.104 19946 4177 1 9 . 1 1 85 85 ILE CA C 85 58.365 58.365 61.020 -2.655 19946 4178 1 9 . 1 1 85 85 ILE CB C 85 39.707 39.707 38.692 1.015 19946 4179 1 9 . 1 1 85 85 ILE H H 85 7.850 7.850 7.481 0.369 19946 4180 1 9 . 1 1 86 86 PHE N N 86 122.937 122.937 123.221 -0.284 19946 4181 1 9 . 1 1 86 86 PHE HA H 86 5.388 5.388 5.259 0.129 19946 4182 1 9 . 1 1 86 86 PHE CA C 86 54.509 54.509 54.929 -0.420 19946 4183 1 9 . 1 1 86 86 PHE CB C 86 42.878 42.878 41.362 1.516 19946 4184 1 9 . 1 1 86 86 PHE H H 86 9.004 9.004 8.870 0.134 19946 4185 1 9 . 1 1 87 87 LEU N N 87 120.712 120.712 118.948 1.764 19946 4186 1 9 . 1 1 87 87 LEU HA H 87 5.295 5.295 5.087 0.208 19946 4187 1 9 . 1 1 87 87 LEU CA C 87 51.810 51.810 53.855 -2.045 19946 4188 1 9 . 1 1 87 87 LEU CB C 87 42.059 42.059 44.720 -2.661 19946 4189 1 9 . 1 1 87 87 LEU H H 87 8.785 8.785 9.276 -0.491 19946 4190 1 9 . 1 1 88 88 LEU N N 88 124.779 124.779 121.794 2.985 19946 4191 1 9 . 1 1 88 88 LEU HA H 88 4.434 4.434 4.344 0.090 19946 4192 1 9 . 1 1 88 88 LEU CA C 88 54.331 54.331 53.700 0.631 19946 4193 1 9 . 1 1 88 88 LEU CB C 88 42.648 42.648 42.349 0.298 19946 4194 1 9 . 1 1 88 88 LEU H H 88 8.243 8.243 8.242 0.001 19946 4195 1 9 . 1 1 89 89 GLU N N 89 112.478 112.478 123.999 -11.521 19946 4196 1 9 . 1 1 89 89 GLU HA H 89 3.881 3.881 4.140 -0.259 19946 4197 1 9 . 1 1 89 89 GLU H H 89 9.343 9.343 8.028 1.315 19946 4198 1 9 . 1 1 90 90 ASP N N 90 120.709 120.709 120.285 0.424 19946 4199 1 9 . 1 1 90 90 ASP HA H 90 4.168 4.168 4.633 -0.465 19946 4200 1 9 . 1 1 90 90 ASP H H 90 9.062 9.062 8.536 0.526 19946 4201 1 9 . 1 1 91 91 GLY N N 91 105.049 105.049 110.586 -5.537 19946 4202 1 9 . 1 1 91 91 GLY CA C 91 46.263 46.263 44.798 1.465 19946 4203 1 9 . 1 1 91 91 GLY H H 91 7.848 7.848 7.850 -0.002 19946 4204 1 9 . 1 1 92 92 ILE N N 92 122.127 122.127 121.446 0.681 19946 4205 1 9 . 1 1 92 92 ILE HA H 92 3.811 3.811 4.183 -0.372 19946 4206 1 9 . 1 1 92 92 ILE CA C 92 62.656 62.656 61.464 1.192 19946 4207 1 9 . 1 1 92 92 ILE CB C 92 37.243 37.243 38.183 -0.940 19946 4208 1 9 . 1 1 92 92 ILE H H 92 8.077 8.077 8.586 -0.509 19946 4209 1 9 . 1 1 93 93 ASP N N 93 127.038 127.038 120.309 6.729 19946 4210 1 9 . 1 1 93 93 ASP HA H 93 4.452 4.452 4.379 0.073 19946 4211 1 9 . 1 1 93 93 ASP CA C 93 57.357 57.357 57.062 0.295 19946 4212 1 9 . 1 1 93 93 ASP CB C 93 38.194 38.194 39.033 -0.839 19946 4213 1 9 . 1 1 93 93 ASP H H 93 9.094 9.094 8.570 0.524 19946 4214 1 9 . 1 1 94 94 GLY N N 94 111.411 111.411 108.503 2.908 19946 4215 1 9 . 1 1 94 94 GLY CA C 94 44.750 44.750 46.969 -2.219 19946 4216 1 9 . 1 1 94 94 GLY H H 94 8.047 8.047 7.726 0.321 19946 4217 1 9 . 1 1 95 95 TRP N N 95 127.574 127.574 122.976 4.598 19946 4218 1 9 . 1 1 95 95 TRP HA H 95 3.738 3.738 4.366 -0.628 19946 4219 1 9 . 1 1 95 95 TRP CA C 95 60.852 60.852 58.772 2.080 19946 4220 1 9 . 1 1 95 95 TRP CB C 95 28.613 28.613 29.877 -1.264 19946 4221 1 9 . 1 1 95 95 TRP H H 95 7.918 7.918 8.105 -0.187 19946 4222 1 9 . 1 1 96 96 LYS N N 96 117.374 117.374 120.664 -3.290 19946 4223 1 9 . 1 1 96 96 LYS HA H 96 4.079 4.079 3.674 0.405 19946 4224 1 9 . 1 1 96 96 LYS CA C 96 59.091 59.091 58.541 0.550 19946 4225 1 9 . 1 1 96 96 LYS H H 96 8.625 8.625 8.440 0.185 19946 4226 1 9 . 1 1 97 97 LYS N N 97 123.490 123.490 119.591 3.899 19946 4227 1 9 . 1 1 97 97 LYS HA H 97 4.021 4.021 4.073 -0.052 19946 4228 1 9 . 1 1 97 97 LYS CB C 97 31.542 31.542 32.575 -1.033 19946 4229 1 9 . 1 1 97 97 LYS H H 97 8.233 8.233 8.369 -0.136 19946 4230 1 9 . 1 1 98 98 ALA N N 98 120.321 120.321 119.414 0.907 19946 4231 1 9 . 1 1 98 98 ALA HA H 98 4.248 4.248 4.469 -0.221 19946 4232 1 9 . 1 1 98 98 ALA CA C 98 51.305 51.305 51.345 -0.040 19946 4233 1 9 . 1 1 98 98 ALA CB C 98 17.744 17.744 18.947 -1.202 19946 4234 1 9 . 1 1 98 98 ALA H H 98 7.480 7.480 7.627 -0.147 19946 4235 1 9 . 1 1 99 99 GLY N N 99 106.984 106.984 108.049 -1.065 19946 4236 1 9 . 1 1 99 99 GLY CA C 99 44.246 44.246 45.755 -1.509 19946 4237 1 9 . 1 1 99 99 GLY H H 99 7.867 7.867 8.166 -0.299 19946 4238 1 9 . 1 1 100 100 LEU N N 100 122.993 122.993 119.323 3.670 19946 4239 1 9 . 1 1 100 100 LEU HA H 100 4.277 4.277 4.506 -0.229 19946 4240 1 9 . 1 1 100 100 LEU CA C 100 52.314 52.314 50.629 1.685 19946 4241 1 9 . 1 1 100 100 LEU CB C 100 36.786 36.786 42.536 -5.750 19946 4242 1 9 . 1 1 100 100 LEU H H 100 6.958 6.958 7.001 -0.043 19946 4243 1 9 . 1 1 101 101 PRO HA H 101 4.492 4.492 4.500 -0.008 19946 4244 1 9 . 1 1 101 101 PRO CB C 101 32.097 32.097 31.734 0.363 19946 4245 1 9 . 1 1 102 102 VAL N N 102 111.514 111.514 116.732 -5.218 19946 4246 1 9 . 1 1 102 102 VAL HA H 102 4.367 4.367 4.411 -0.044 19946 4247 1 9 . 1 1 102 102 VAL CA C 102 58.869 58.869 60.453 -1.584 19946 4248 1 9 . 1 1 102 102 VAL CB C 102 35.351 35.351 32.239 3.112 19946 4249 1 9 . 1 1 102 102 VAL H H 102 7.988 7.988 8.250 -0.262 19946 4250 1 9 . 1 1 103 103 ALA N N 103 126.676 126.676 123.202 3.474 19946 4251 1 9 . 1 1 103 103 ALA HA H 103 4.524 4.524 4.410 0.114 19946 4252 1 9 . 1 1 103 103 ALA CA C 103 49.793 49.793 51.857 -2.064 19946 4253 1 9 . 1 1 103 103 ALA CB C 103 18.600 18.600 17.605 0.995 19946 4254 1 9 . 1 1 103 103 ALA H H 103 8.919 8.919 8.404 0.515 19946 4255 1 9 . 1 1 104 104 VAL N N 104 121.148 121.148 123.886 -2.738 19946 4256 1 9 . 1 1 104 104 VAL HA H 104 4.475 4.475 4.245 0.230 19946 4257 1 9 . 1 1 104 104 VAL CA C 104 59.374 59.374 60.541 -1.167 19946 4258 1 9 . 1 1 104 104 VAL CB C 104 33.884 33.884 33.093 0.791 19946 4259 1 9 . 1 1 104 104 VAL H H 104 8.241 8.241 7.937 0.304 19946 4260 1 9 . 1 1 105 105 ASN N N 105 123.816 123.816 120.620 3.196 19946 4261 1 9 . 1 1 105 105 ASN HA H 105 4.674 4.674 4.633 0.041 19946 4262 1 9 . 1 1 105 105 ASN CA C 105 53.200 53.200 53.321 -0.121 19946 4263 1 9 . 1 1 105 105 ASN CB C 105 37.959 37.959 37.792 0.167 19946 4264 1 9 . 1 1 105 105 ASN H H 105 8.150 8.150 8.312 -0.162 19946 4265 1 9 . 1 1 106 106 LYS N N 106 123.804 123.804 123.389 0.415 19946 4266 1 9 . 1 1 106 106 LYS H H 106 8.340 8.340 8.403 -0.063 19946 4267 1 10 . 1 1 2 2 LEU N N 2 120.763 120.763 120.079 0.684 19946 4268 1 10 . 1 1 2 2 LEU HA H 2 4.384 4.384 4.283 0.101 19946 4269 1 10 . 1 1 2 2 LEU CA C 2 53.827 53.827 56.148 -2.321 19946 4270 1 10 . 1 1 2 2 LEU CB C 2 42.229 42.229 40.535 1.694 19946 4271 1 10 . 1 1 2 2 LEU H H 2 7.888 7.888 8.540 -0.652 19946 4272 1 10 . 1 1 3 3 THR N N 3 118.330 118.330 121.021 -2.691 19946 4273 1 10 . 1 1 3 3 THR HA H 3 4.469 4.469 4.622 -0.153 19946 4274 1 10 . 1 1 3 3 THR CA C 3 61.391 61.391 60.921 0.470 19946 4275 1 10 . 1 1 3 3 THR CB C 3 69.496 69.496 72.631 -3.135 19946 4276 1 10 . 1 1 3 3 THR H H 3 7.905 7.905 7.928 -0.023 19946 4277 1 10 . 1 1 4 4 THR N N 4 122.024 122.024 118.034 3.990 19946 4278 1 10 . 1 1 4 4 THR HA H 4 5.171 5.171 4.512 0.659 19946 4279 1 10 . 1 1 4 4 THR CA C 4 61.595 61.595 62.227 -0.632 19946 4280 1 10 . 1 1 4 4 THR CB C 4 69.027 69.027 69.796 -0.769 19946 4281 1 10 . 1 1 4 4 THR H H 4 8.504 8.504 8.425 0.079 19946 4282 1 10 . 1 1 5 5 ILE N N 5 122.667 122.667 127.155 -4.488 19946 4283 1 10 . 1 1 5 5 ILE HA H 5 4.973 4.973 4.345 0.628 19946 4284 1 10 . 1 1 5 5 ILE CA C 5 57.971 57.971 58.893 -0.922 19946 4285 1 10 . 1 1 5 5 ILE CB C 5 41.458 41.458 41.775 -0.317 19946 4286 1 10 . 1 1 5 5 ILE H H 5 8.903 8.903 8.753 0.150 19946 4287 1 10 . 1 1 6 6 SER N N 6 123.156 123.156 123.117 0.039 19946 4288 1 10 . 1 1 6 6 SER HA H 6 4.785 4.785 4.674 0.111 19946 4289 1 10 . 1 1 6 6 SER H H 6 9.138 9.138 8.783 0.355 19946 4290 1 10 . 1 1 7 7 PRO HA H 7 4.004 4.004 4.574 -0.570 19946 4291 1 10 . 1 1 7 7 PRO CA C 7 65.510 65.510 64.396 1.114 19946 4292 1 10 . 1 1 7 7 PRO CB C 7 30.924 30.924 32.073 -1.149 19946 4293 1 10 . 1 1 8 8 HIS N N 8 114.319 114.319 115.552 -1.233 19946 4294 1 10 . 1 1 8 8 HIS HA H 8 3.989 3.989 4.538 -0.549 19946 4295 1 10 . 1 1 8 8 HIS CA C 8 60.050 60.050 58.744 1.306 19946 4296 1 10 . 1 1 8 8 HIS CB C 8 28.613 28.613 30.358 -1.745 19946 4297 1 10 . 1 1 8 8 HIS H H 8 8.127 8.127 8.280 -0.153 19946 4298 1 10 . 1 1 9 9 ASP N N 9 121.300 121.300 118.969 2.331 19946 4299 1 10 . 1 1 9 9 ASP HA H 9 4.301 4.301 4.613 -0.312 19946 4300 1 10 . 1 1 9 9 ASP CA C 9 56.455 56.455 55.523 0.932 19946 4301 1 10 . 1 1 9 9 ASP CB C 9 38.699 38.699 41.537 -2.838 19946 4302 1 10 . 1 1 9 9 ASP H H 9 7.639 7.639 7.809 -0.170 19946 4303 1 10 . 1 1 10 10 ALA N N 10 123.991 123.991 123.709 0.282 19946 4304 1 10 . 1 1 10 10 ALA HA H 10 3.719 3.719 4.020 -0.301 19946 4305 1 10 . 1 1 10 10 ALA CA C 10 54.331 54.331 55.198 -0.867 19946 4306 1 10 . 1 1 10 10 ALA CB C 10 17.549 17.549 18.414 -0.865 19946 4307 1 10 . 1 1 10 10 ALA H H 10 8.820 8.820 8.401 0.419 19946 4308 1 10 . 1 1 11 11 GLN N N 11 118.128 118.128 116.571 1.557 19946 4309 1 10 . 1 1 11 11 GLN HA H 11 3.933 3.933 4.181 -0.248 19946 4310 1 10 . 1 1 11 11 GLN CA C 11 59.389 59.389 58.005 1.384 19946 4311 1 10 . 1 1 11 11 GLN CB C 11 27.948 27.948 28.457 -0.510 19946 4312 1 10 . 1 1 11 11 GLN H H 11 8.353 8.353 8.423 -0.070 19946 4313 1 10 . 1 1 12 12 GLU N N 12 119.307 119.307 120.589 -1.282 19946 4314 1 10 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.257 -0.234 19946 4315 1 10 . 1 1 12 12 GLU CA C 12 58.476 58.476 58.640 -0.164 19946 4316 1 10 . 1 1 12 12 GLU CB C 12 28.532 28.532 30.232 -1.700 19946 4317 1 10 . 1 1 12 12 GLU H H 12 7.197 7.197 7.989 -0.792 19946 4318 1 10 . 1 1 13 13 LEU N N 13 120.635 120.635 118.941 1.694 19946 4319 1 10 . 1 1 13 13 LEU HA H 13 3.821 3.821 4.103 -0.282 19946 4320 1 10 . 1 1 13 13 LEU CA C 13 57.065 57.065 58.174 -1.109 19946 4321 1 10 . 1 1 13 13 LEU CB C 13 40.890 40.890 41.349 -0.459 19946 4322 1 10 . 1 1 13 13 LEU H H 13 7.554 7.554 7.591 -0.037 19946 4323 1 10 . 1 1 14 14 ILE N N 14 123.021 123.021 119.856 3.165 19946 4324 1 10 . 1 1 14 14 ILE HA H 14 3.827 3.827 3.784 0.043 19946 4325 1 10 . 1 1 14 14 ILE CA C 14 64.053 64.053 65.162 -1.109 19946 4326 1 10 . 1 1 14 14 ILE CB C 14 38.115 38.115 37.692 0.423 19946 4327 1 10 . 1 1 14 14 ILE H H 14 8.710 8.710 7.989 0.721 19946 4328 1 10 . 1 1 15 15 ALA N N 15 124.504 124.504 120.552 3.952 19946 4329 1 10 . 1 1 15 15 ALA HA H 15 4.115 4.115 4.136 -0.021 19946 4330 1 10 . 1 1 15 15 ALA CA C 15 54.257 54.257 54.023 0.234 19946 4331 1 10 . 1 1 15 15 ALA CB C 15 17.040 17.040 18.430 -1.390 19946 4332 1 10 . 1 1 15 15 ALA H H 15 7.758 7.758 7.852 -0.094 19946 4333 1 10 . 1 1 16 16 ARG N N 16 115.990 115.990 116.270 -0.280 19946 4334 1 10 . 1 1 16 16 ARG HA H 16 4.348 4.348 4.305 0.043 19946 4335 1 10 . 1 1 16 16 ARG CA C 16 55.416 55.416 56.830 -1.414 19946 4336 1 10 . 1 1 16 16 ARG CB C 16 29.762 29.762 30.890 -1.128 19946 4337 1 10 . 1 1 16 16 ARG H H 16 7.252 7.252 7.603 -0.351 19946 4338 1 10 . 1 1 17 17 GLY N N 17 107.981 107.981 105.534 2.447 19946 4339 1 10 . 1 1 17 17 GLY CA C 17 44.854 44.854 44.735 0.119 19946 4340 1 10 . 1 1 17 17 GLY H H 17 7.748 7.748 7.517 0.231 19946 4341 1 10 . 1 1 18 18 ALA N N 18 123.914 123.914 125.103 -1.189 19946 4342 1 10 . 1 1 18 18 ALA HA H 18 4.221 4.221 4.239 -0.018 19946 4343 1 10 . 1 1 18 18 ALA CA C 18 52.270 52.270 53.007 -0.737 19946 4344 1 10 . 1 1 18 18 ALA CB C 18 18.638 18.638 19.533 -0.895 19946 4345 1 10 . 1 1 18 18 ALA H H 18 7.940 7.940 7.895 0.045 19946 4346 1 10 . 1 1 19 19 LYS N N 19 119.436 119.436 122.599 -3.163 19946 4347 1 10 . 1 1 19 19 LYS HA H 19 4.301 4.301 4.771 -0.470 19946 4348 1 10 . 1 1 19 19 LYS CA C 19 53.105 53.105 54.661 -1.556 19946 4349 1 10 . 1 1 19 19 LYS CB C 19 32.856 32.856 36.819 -3.963 19946 4350 1 10 . 1 1 19 19 LYS H H 19 7.565 7.565 7.785 -0.220 19946 4351 1 10 . 1 1 20 20 LEU N N 20 127.401 127.401 121.483 5.918 19946 4352 1 10 . 1 1 20 20 LEU HA H 20 5.042 5.042 5.141 -0.099 19946 4353 1 10 . 1 1 20 20 LEU CA C 20 52.314 52.314 53.471 -1.157 19946 4354 1 10 . 1 1 20 20 LEU CB C 20 43.234 43.234 45.435 -2.201 19946 4355 1 10 . 1 1 20 20 LEU H H 20 8.727 8.727 8.589 0.138 19946 4356 1 10 . 1 1 21 21 ILE N N 21 128.186 128.186 122.023 6.163 19946 4357 1 10 . 1 1 21 21 ILE HA H 21 4.547 4.547 4.522 0.025 19946 4358 1 10 . 1 1 21 21 ILE CA C 21 59.589 59.589 59.886 -0.297 19946 4359 1 10 . 1 1 21 21 ILE CB C 21 38.545 38.545 42.512 -3.967 19946 4360 1 10 . 1 1 21 21 ILE H H 21 9.366 9.366 8.434 0.932 19946 4361 1 10 . 1 1 22 22 ASP N N 22 129.968 129.968 128.601 1.367 19946 4362 1 10 . 1 1 22 22 ASP HA H 22 3.803 3.803 4.865 -1.062 19946 4363 1 10 . 1 1 22 22 ASP CA C 22 51.435 51.435 52.808 -1.373 19946 4364 1 10 . 1 1 22 22 ASP CB C 22 42.062 42.062 40.693 1.369 19946 4365 1 10 . 1 1 22 22 ASP H H 22 8.583 8.583 8.256 0.327 19946 4366 1 10 . 1 1 23 23 ILE N N 23 116.266 116.266 121.070 -4.804 19946 4367 1 10 . 1 1 23 23 ILE HA H 23 5.229 5.229 3.962 1.267 19946 4368 1 10 . 1 1 23 23 ILE CA C 23 59.374 59.374 60.692 -1.318 19946 4369 1 10 . 1 1 23 23 ILE CB C 23 37.327 37.327 36.141 1.186 19946 4370 1 10 . 1 1 23 23 ILE H H 23 7.836 7.836 8.168 -0.332 19946 4371 1 10 . 1 1 24 24 ARG N N 24 125.001 125.001 119.935 5.066 19946 4372 1 10 . 1 1 24 24 ARG HA H 24 4.116 4.116 4.520 -0.404 19946 4373 1 10 . 1 1 24 24 ARG CA C 24 55.943 55.943 54.335 1.608 19946 4374 1 10 . 1 1 24 24 ARG CB C 24 30.135 30.135 31.530 -1.395 19946 4375 1 10 . 1 1 24 24 ARG H H 24 8.195 8.195 7.283 0.912 19946 4376 1 10 . 1 1 25 25 ASP N N 25 112.839 112.839 119.485 -6.646 19946 4377 1 10 . 1 1 25 25 ASP HA H 25 4.545 4.545 4.452 0.093 19946 4378 1 10 . 1 1 25 25 ASP CA C 25 53.870 53.870 55.086 -1.216 19946 4379 1 10 . 1 1 25 25 ASP CB C 25 41.327 41.327 41.278 0.049 19946 4380 1 10 . 1 1 25 25 ASP H H 25 7.660 7.660 8.315 -0.655 19946 4381 1 10 . 1 1 26 26 ALA N N 26 122.145 122.145 122.344 -0.199 19946 4382 1 10 . 1 1 26 26 ALA HA H 26 3.897 3.897 4.275 -0.378 19946 4383 1 10 . 1 1 26 26 ALA CA C 26 54.958 54.958 53.534 1.424 19946 4384 1 10 . 1 1 26 26 ALA CB C 26 17.520 17.520 20.504 -2.984 19946 4385 1 10 . 1 1 26 26 ALA H H 26 8.766 8.766 8.293 0.473 19946 4386 1 10 . 1 1 27 27 ASP N N 27 115.380 115.380 116.775 -1.395 19946 4387 1 10 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.659 -0.360 19946 4388 1 10 . 1 1 27 27 ASP CA C 27 56.451 56.451 54.656 1.795 19946 4389 1 10 . 1 1 27 27 ASP CB C 27 39.156 39.156 41.331 -2.175 19946 4390 1 10 . 1 1 27 27 ASP H H 27 8.686 8.686 8.065 0.621 19946 4391 1 10 . 1 1 28 28 GLU N N 28 120.081 120.081 119.202 0.879 19946 4392 1 10 . 1 1 28 28 GLU HA H 28 4.086 4.086 4.180 -0.094 19946 4393 1 10 . 1 1 28 28 GLU CA C 28 58.389 58.389 58.419 -0.030 19946 4394 1 10 . 1 1 28 28 GLU CB C 28 28.728 28.728 29.928 -1.200 19946 4395 1 10 . 1 1 28 28 GLU H H 28 7.397 7.397 8.454 -1.057 19946 4396 1 10 . 1 1 29 29 TYR N N 29 121.205 121.205 118.061 3.144 19946 4397 1 10 . 1 1 29 29 TYR HA H 29 4.083 4.083 4.515 -0.432 19946 4398 1 10 . 1 1 29 29 TYR CA C 29 60.378 60.378 58.251 2.127 19946 4399 1 10 . 1 1 29 29 TYR CB C 29 38.699 38.699 39.692 -0.993 19946 4400 1 10 . 1 1 29 29 TYR H H 29 7.506 7.506 7.654 -0.148 19946 4401 1 10 . 1 1 30 30 LEU N N 30 118.828 118.828 120.103 -1.275 19946 4402 1 10 . 1 1 30 30 LEU HA H 30 3.850 3.850 3.916 -0.066 19946 4403 1 10 . 1 1 30 30 LEU CA C 30 56.348 56.348 55.280 1.068 19946 4404 1 10 . 1 1 30 30 LEU CB C 30 41.220 41.220 40.864 0.357 19946 4405 1 10 . 1 1 30 30 LEU H H 30 8.211 8.211 8.034 0.177 19946 4406 1 10 . 1 1 31 31 ARG N N 31 118.220 118.220 118.673 -0.453 19946 4407 1 10 . 1 1 31 31 ARG HA H 31 4.101 4.101 4.160 -0.059 19946 4408 1 10 . 1 1 31 31 ARG CA C 31 58.365 58.365 57.382 0.983 19946 4409 1 10 . 1 1 31 31 ARG CB C 31 30.074 30.074 31.140 -1.066 19946 4410 1 10 . 1 1 31 31 ARG H H 31 7.120 7.120 8.256 -1.136 19946 4411 1 10 . 1 1 32 32 GLU N N 32 117.980 117.980 118.598 -0.618 19946 4412 1 10 . 1 1 32 32 GLU HA H 32 4.884 4.884 4.325 0.559 19946 4413 1 10 . 1 1 32 32 GLU CA C 32 55.339 55.339 57.751 -2.412 19946 4414 1 10 . 1 1 32 32 GLU CB C 32 31.698 31.698 30.635 1.063 19946 4415 1 10 . 1 1 32 32 GLU H H 32 7.506 7.506 8.311 -0.805 19946 4416 1 10 . 1 1 33 33 HIS N N 33 118.257 118.257 117.494 0.763 19946 4417 1 10 . 1 1 33 33 HIS HA H 33 4.643 4.643 4.643 -0.000 19946 4418 1 10 . 1 1 33 33 HIS CA C 33 53.766 53.766 54.806 -1.040 19946 4419 1 10 . 1 1 33 33 HIS CB C 33 29.940 29.940 30.764 -0.824 19946 4420 1 10 . 1 1 33 33 HIS H H 33 8.269 8.269 8.569 -0.300 19946 4421 1 10 . 1 1 34 34 ILE N N 34 127.809 127.809 125.316 2.493 19946 4422 1 10 . 1 1 34 34 ILE HA H 34 3.920 3.920 3.960 -0.040 19946 4423 1 10 . 1 1 34 34 ILE CA C 34 59.648 59.648 60.957 -1.309 19946 4424 1 10 . 1 1 34 34 ILE CB C 34 37.959 37.959 38.831 -0.872 19946 4425 1 10 . 1 1 34 34 ILE H H 34 9.989 9.989 8.489 1.500 19946 4426 1 10 . 1 1 35 35 PRO HA H 35 4.198 4.198 4.215 -0.017 19946 4427 1 10 . 1 1 36 36 GLU N N 36 114.414 114.414 117.065 -2.651 19946 4428 1 10 . 1 1 36 36 GLU HA H 36 4.082 4.082 4.282 -0.200 19946 4429 1 10 . 1 1 36 36 GLU CA C 36 57.861 57.861 56.678 1.183 19946 4430 1 10 . 1 1 36 36 GLU CB C 36 28.109 28.109 30.017 -1.908 19946 4431 1 10 . 1 1 36 36 GLU H H 36 8.557 8.557 7.291 1.266 19946 4432 1 10 . 1 1 37 37 ALA N N 37 122.882 122.882 123.630 -0.748 19946 4433 1 10 . 1 1 37 37 ALA HA H 37 4.439 4.439 4.580 -0.141 19946 4434 1 10 . 1 1 37 37 ALA CA C 37 52.005 52.005 51.607 0.398 19946 4435 1 10 . 1 1 37 37 ALA CB C 37 20.438 20.438 22.174 -1.736 19946 4436 1 10 . 1 1 37 37 ALA H H 37 8.096 8.096 8.099 -0.003 19946 4437 1 10 . 1 1 38 38 ASP N N 38 124.471 124.471 119.421 5.050 19946 4438 1 10 . 1 1 38 38 ASP HA H 38 4.844 4.844 4.851 -0.007 19946 4439 1 10 . 1 1 38 38 ASP CA C 38 52.614 52.614 54.158 -1.544 19946 4440 1 10 . 1 1 38 38 ASP CB C 38 44.407 44.407 44.150 0.257 19946 4441 1 10 . 1 1 38 38 ASP H H 38 9.004 9.004 9.244 -0.240 19946 4442 1 10 . 1 1 39 39 LEU N N 39 123.936 123.936 125.404 -1.468 19946 4443 1 10 . 1 1 39 39 LEU HA H 39 4.328 4.328 4.054 0.274 19946 4444 1 10 . 1 1 39 39 LEU CA C 39 54.037 54.037 56.107 -2.070 19946 4445 1 10 . 1 1 39 39 LEU CB C 39 41.220 41.220 42.227 -1.008 19946 4446 1 10 . 1 1 39 39 LEU H H 39 8.125 8.125 8.713 -0.588 19946 4447 1 10 . 1 1 40 40 ALA N N 40 131.297 131.297 128.005 3.292 19946 4448 1 10 . 1 1 40 40 ALA HA H 40 4.408 4.408 4.632 -0.224 19946 4449 1 10 . 1 1 40 40 ALA CA C 40 48.784 48.784 50.407 -1.623 19946 4450 1 10 . 1 1 40 40 ALA CB C 40 17.979 17.979 19.249 -1.270 19946 4451 1 10 . 1 1 40 40 ALA H H 40 8.654 8.654 8.100 0.554 19946 4452 1 10 . 1 1 41 41 PRO HA H 41 4.101 4.101 4.548 -0.447 19946 4453 1 10 . 1 1 41 41 PRO CA C 41 61.391 61.391 62.067 -0.676 19946 4454 1 10 . 1 1 41 41 PRO CB C 41 32.097 32.097 32.655 -0.558 19946 4455 1 10 . 1 1 42 42 LEU N N 42 125.312 125.312 120.174 5.138 19946 4456 1 10 . 1 1 42 42 LEU HA H 42 3.871 3.871 3.798 0.073 19946 4457 1 10 . 1 1 42 42 LEU CA C 42 57.861 57.861 58.724 -0.863 19946 4458 1 10 . 1 1 42 42 LEU CB C 42 40.941 40.941 41.556 -0.615 19946 4459 1 10 . 1 1 42 42 LEU H H 42 8.285 8.285 8.635 -0.350 19946 4460 1 10 . 1 1 43 43 SER N N 43 110.669 110.669 113.507 -2.838 19946 4461 1 10 . 1 1 43 43 SER HA H 43 4.106 4.106 4.048 0.058 19946 4462 1 10 . 1 1 43 43 SER CA C 43 60.497 60.497 61.460 -0.963 19946 4463 1 10 . 1 1 43 43 SER CB C 43 61.391 61.391 62.506 -1.115 19946 4464 1 10 . 1 1 43 43 SER H H 43 8.453 8.453 8.312 0.141 19946 4465 1 10 . 1 1 44 44 VAL N N 44 123.933 123.933 123.292 0.641 19946 4466 1 10 . 1 1 44 44 VAL HA H 44 3.821 3.821 3.785 0.036 19946 4467 1 10 . 1 1 44 44 VAL CA C 44 64.752 64.752 66.197 -1.445 19946 4468 1 10 . 1 1 44 44 VAL CB C 44 31.135 31.135 31.738 -0.603 19946 4469 1 10 . 1 1 44 44 VAL H H 44 7.156 7.156 7.609 -0.453 19946 4470 1 10 . 1 1 45 45 LEU N N 45 121.150 121.150 119.295 1.855 19946 4471 1 10 . 1 1 45 45 LEU HA H 45 3.767 3.767 4.023 -0.256 19946 4472 1 10 . 1 1 45 45 LEU CA C 45 56.599 56.599 57.701 -1.102 19946 4473 1 10 . 1 1 45 45 LEU CB C 45 40.890 40.890 41.267 -0.376 19946 4474 1 10 . 1 1 45 45 LEU H H 45 7.997 7.997 8.914 -0.917 19946 4475 1 10 . 1 1 46 46 GLU N N 46 116.256 116.256 118.905 -2.649 19946 4476 1 10 . 1 1 46 46 GLU HA H 46 3.678 3.678 4.246 -0.568 19946 4477 1 10 . 1 1 46 46 GLU CA C 46 58.365 58.365 58.205 0.160 19946 4478 1 10 . 1 1 46 46 GLU CB C 46 29.622 29.622 29.964 -0.342 19946 4479 1 10 . 1 1 46 46 GLU H H 46 8.501 8.501 8.182 0.319 19946 4480 1 10 . 1 1 47 47 GLN N N 47 117.261 117.261 118.132 -0.871 19946 4481 1 10 . 1 1 47 47 GLN HA H 47 4.216 4.216 4.135 0.081 19946 4482 1 10 . 1 1 47 47 GLN CA C 47 56.852 56.852 58.186 -1.334 19946 4483 1 10 . 1 1 47 47 GLN CB C 47 29.119 29.119 29.188 -0.069 19946 4484 1 10 . 1 1 47 47 GLN H H 47 7.407 7.407 8.514 -1.107 19946 4485 1 10 . 1 1 48 48 SER N N 48 111.890 111.890 112.566 -0.676 19946 4486 1 10 . 1 1 48 48 SER HA H 48 4.641 4.641 4.449 0.192 19946 4487 1 10 . 1 1 48 48 SER CA C 48 57.956 57.956 58.373 -0.417 19946 4488 1 10 . 1 1 48 48 SER CB C 48 63.912 63.912 64.806 -0.894 19946 4489 1 10 . 1 1 48 48 SER H H 48 8.566 8.566 7.995 0.571 19946 4490 1 10 . 1 1 49 49 GLY N N 49 111.545 111.545 109.197 2.348 19946 4491 1 10 . 1 1 49 49 GLY CA C 49 43.894 43.894 44.469 -0.575 19946 4492 1 10 . 1 1 49 49 GLY H H 49 7.836 7.836 7.896 -0.060 19946 4493 1 10 . 1 1 50 50 LEU N N 50 121.541 121.541 122.187 -0.646 19946 4494 1 10 . 1 1 50 50 LEU HA H 50 4.239 4.239 4.267 -0.028 19946 4495 1 10 . 1 1 50 50 LEU CA C 50 51.985 51.985 53.657 -1.672 19946 4496 1 10 . 1 1 50 50 LEU CB C 50 42.648 42.648 42.441 0.206 19946 4497 1 10 . 1 1 50 50 LEU H H 50 8.564 8.564 8.458 0.106 19946 4498 1 10 . 1 1 51 51 PRO HA H 51 4.243 4.243 4.555 -0.312 19946 4499 1 10 . 1 1 51 51 PRO CB C 51 31.639 31.639 30.283 1.356 19946 4500 1 10 . 1 1 52 52 ALA N N 52 127.008 127.008 126.423 0.585 19946 4501 1 10 . 1 1 52 52 ALA HA H 52 3.790 3.790 3.966 -0.176 19946 4502 1 10 . 1 1 52 52 ALA CA C 52 54.835 54.835 54.948 -0.113 19946 4503 1 10 . 1 1 52 52 ALA CB C 52 17.715 17.715 18.653 -0.938 19946 4504 1 10 . 1 1 52 52 ALA H H 52 8.564 8.564 8.196 0.368 19946 4505 1 10 . 1 1 53 53 LYS N N 53 114.535 114.535 115.897 -1.362 19946 4506 1 10 . 1 1 53 53 LYS HA H 53 4.106 4.106 4.118 -0.012 19946 4507 1 10 . 1 1 53 53 LYS CA C 53 56.852 56.852 58.159 -1.307 19946 4508 1 10 . 1 1 53 53 LYS CB C 53 31.386 31.386 32.054 -0.669 19946 4509 1 10 . 1 1 53 53 LYS H H 53 8.364 8.364 8.349 0.015 19946 4510 1 10 . 1 1 54 54 LEU N N 54 118.515 118.515 117.406 1.109 19946 4511 1 10 . 1 1 54 54 LEU HA H 54 4.247 4.247 4.685 -0.438 19946 4512 1 10 . 1 1 54 54 LEU CA C 54 53.338 53.338 53.942 -0.604 19946 4513 1 10 . 1 1 54 54 LEU CB C 54 40.890 40.890 41.685 -0.795 19946 4514 1 10 . 1 1 54 54 LEU H H 54 7.745 7.745 8.077 -0.332 19946 4515 1 10 . 1 1 55 55 ARG N N 55 117.612 117.612 119.877 -2.265 19946 4516 1 10 . 1 1 55 55 ARG HA H 55 3.927 3.927 4.578 -0.651 19946 4517 1 10 . 1 1 55 55 ARG CA C 55 56.832 56.832 54.848 1.984 19946 4518 1 10 . 1 1 55 55 ARG CB C 55 28.610 28.610 33.287 -4.677 19946 4519 1 10 . 1 1 55 55 ARG H H 55 6.938 6.938 7.389 -0.451 19946 4520 1 10 . 1 1 56 56 HIS N N 56 123.269 123.269 118.047 5.222 19946 4521 1 10 . 1 1 56 56 HIS HA H 56 4.614 4.614 4.807 -0.193 19946 4522 1 10 . 1 1 56 56 HIS CA C 56 54.835 54.835 55.571 -0.736 19946 4523 1 10 . 1 1 56 56 HIS CB C 56 32.648 32.648 33.134 -0.486 19946 4524 1 10 . 1 1 56 56 HIS H H 56 7.237 7.237 8.462 -1.225 19946 4525 1 10 . 1 1 57 57 GLU N N 57 120.895 120.895 119.508 1.387 19946 4526 1 10 . 1 1 57 57 GLU HA H 57 3.976 3.976 4.136 -0.160 19946 4527 1 10 . 1 1 57 57 GLU CA C 57 58.871 58.871 58.511 0.360 19946 4528 1 10 . 1 1 57 57 GLU CB C 57 29.158 29.158 30.216 -1.058 19946 4529 1 10 . 1 1 57 57 GLU H H 57 7.625 7.625 8.887 -1.262 19946 4530 1 10 . 1 1 58 58 GLN N N 58 118.485 118.485 109.987 8.498 19946 4531 1 10 . 1 1 58 58 GLN HA H 58 5.425 5.425 5.136 0.289 19946 4532 1 10 . 1 1 58 58 GLN CA C 58 54.910 54.910 54.689 0.221 19946 4533 1 10 . 1 1 58 58 GLN CB C 58 32.285 32.285 32.397 -0.112 19946 4534 1 10 . 1 1 58 58 GLN H H 58 8.335 8.335 7.526 0.809 19946 4535 1 10 . 1 1 59 59 ILE N N 59 123.505 123.505 120.794 2.711 19946 4536 1 10 . 1 1 59 59 ILE HA H 59 4.492 4.492 5.207 -0.715 19946 4537 1 10 . 1 1 59 59 ILE CA C 59 58.869 58.869 58.592 0.277 19946 4538 1 10 . 1 1 59 59 ILE CB C 59 42.332 42.332 42.368 -0.036 19946 4539 1 10 . 1 1 59 59 ILE H H 59 8.704 8.704 8.530 0.174 19946 4540 1 10 . 1 1 60 60 ILE N N 60 126.464 126.464 122.957 3.507 19946 4541 1 10 . 1 1 60 60 ILE HA H 60 4.954 4.954 4.395 0.559 19946 4542 1 10 . 1 1 60 60 ILE CA C 60 57.357 57.357 60.049 -2.692 19946 4543 1 10 . 1 1 60 60 ILE CB C 60 39.131 39.131 40.042 -0.911 19946 4544 1 10 . 1 1 60 60 ILE H H 60 9.006 9.006 8.131 0.875 19946 4545 1 10 . 1 1 61 61 PHE N N 61 124.441 124.441 122.967 1.474 19946 4546 1 10 . 1 1 61 61 PHE HA H 61 5.795 5.795 5.163 0.632 19946 4547 1 10 . 1 1 61 61 PHE CA C 61 56.131 56.131 55.638 0.493 19946 4548 1 10 . 1 1 61 61 PHE CB C 61 42.879 42.879 41.099 1.780 19946 4549 1 10 . 1 1 61 61 PHE H H 61 8.938 8.938 7.461 1.477 19946 4550 1 10 . 1 1 62 62 HIS N N 62 117.494 117.494 118.097 -0.603 19946 4551 1 10 . 1 1 62 62 HIS HA H 62 5.928 5.928 5.046 0.882 19946 4552 1 10 . 1 1 62 62 HIS CA C 62 53.322 53.322 56.062 -2.740 19946 4553 1 10 . 1 1 62 62 HIS CB C 62 35.673 35.673 33.614 2.059 19946 4554 1 10 . 1 1 62 62 HIS H H 62 9.230 9.230 8.617 0.613 19946 4555 1 10 . 1 1 63 63 CYS N N 63 120.220 120.220 122.531 -2.311 19946 4556 1 10 . 1 1 63 63 CYS HA H 63 5.033 5.033 4.297 0.736 19946 4557 1 10 . 1 1 63 63 CYS CA C 63 56.131 56.131 58.960 -2.829 19946 4558 1 10 . 1 1 63 63 CYS CB C 63 28.109 28.109 29.710 -1.601 19946 4559 1 10 . 1 1 63 63 CYS H H 63 8.131 8.131 8.516 -0.385 19946 4560 1 10 . 1 1 65 65 ALA N N 65 119.272 119.272 120.148 -0.876 19946 4561 1 10 . 1 1 65 65 ALA HA H 65 5.063 5.063 4.616 0.447 19946 4562 1 10 . 1 1 65 65 ALA CA C 65 49.793 49.793 51.546 -1.753 19946 4563 1 10 . 1 1 65 65 ALA CB C 65 19.775 19.775 18.276 1.499 19946 4564 1 10 . 1 1 65 65 ALA H H 65 8.967 8.967 8.118 0.849 19946 4565 1 10 . 1 1 66 66 GLY N N 66 113.296 113.296 109.093 4.203 19946 4566 1 10 . 1 1 66 66 GLY CA C 66 44.934 44.934 45.374 -0.440 19946 4567 1 10 . 1 1 66 66 GLY H H 66 8.778 8.778 7.969 0.809 19946 4568 1 10 . 1 1 67 67 LYS N N 67 121.300 121.300 117.295 4.005 19946 4569 1 10 . 1 1 67 67 LYS HA H 67 4.211 4.211 4.680 -0.469 19946 4570 1 10 . 1 1 67 67 LYS H H 67 8.111 8.111 8.072 0.039 19946 4571 1 10 . 1 1 68 68 ARG N N 68 126.092 126.092 120.793 5.299 19946 4572 1 10 . 1 1 68 68 ARG H H 68 9.067 9.067 8.747 0.320 19946 4573 1 10 . 1 1 69 69 THR N N 69 117.153 117.153 115.645 1.508 19946 4574 1 10 . 1 1 69 69 THR HA H 69 3.576 3.576 4.338 -0.762 19946 4575 1 10 . 1 1 69 69 THR CA C 69 65.397 65.397 62.872 2.525 19946 4576 1 10 . 1 1 69 69 THR CB C 69 66.938 66.938 69.135 -2.197 19946 4577 1 10 . 1 1 69 69 THR H H 69 10.233 10.233 8.037 2.196 19946 4578 1 10 . 1 1 70 70 SER N N 70 113.686 113.686 116.032 -2.346 19946 4579 1 10 . 1 1 70 70 SER HA H 70 4.091 4.091 4.424 -0.333 19946 4580 1 10 . 1 1 70 70 SER CA C 70 61.391 61.391 59.711 1.681 19946 4581 1 10 . 1 1 70 70 SER CB C 70 65.425 65.425 62.950 2.475 19946 4582 1 10 . 1 1 70 70 SER H H 70 7.322 7.322 8.345 -1.023 19946 4583 1 10 . 1 1 71 71 ASN N N 71 118.257 118.257 119.267 -1.010 19946 4584 1 10 . 1 1 71 71 ASN HA H 71 4.177 4.177 4.536 -0.359 19946 4585 1 10 . 1 1 71 71 ASN CA C 71 54.736 54.736 55.289 -0.553 19946 4586 1 10 . 1 1 71 71 ASN CB C 71 38.391 38.391 38.618 -0.227 19946 4587 1 10 . 1 1 71 71 ASN H H 71 7.863 7.863 8.660 -0.797 19946 4588 1 10 . 1 1 72 72 ASN N N 72 115.529 115.529 115.265 0.264 19946 4589 1 10 . 1 1 72 72 ASN HA H 72 5.127 5.127 4.910 0.217 19946 4590 1 10 . 1 1 72 72 ASN CA C 72 52.173 52.173 53.200 -1.027 19946 4591 1 10 . 1 1 72 72 ASN CB C 72 39.165 39.165 39.184 -0.018 19946 4592 1 10 . 1 1 72 72 ASN H H 72 7.238 7.238 7.751 -0.513 19946 4593 1 10 . 1 1 73 73 ALA N N 73 125.388 125.388 122.815 2.573 19946 4594 1 10 . 1 1 73 73 ALA HA H 73 3.639 3.639 4.304 -0.665 19946 4595 1 10 . 1 1 73 73 ALA CA C 73 56.133 56.133 54.115 2.018 19946 4596 1 10 . 1 1 73 73 ALA CB C 73 18.528 18.528 19.345 -0.817 19946 4597 1 10 . 1 1 73 73 ALA H H 73 7.081 7.081 7.391 -0.310 19946 4598 1 10 . 1 1 74 74 ASP N N 74 115.501 115.501 120.308 -4.807 19946 4599 1 10 . 1 1 74 74 ASP HA H 74 4.135 4.135 4.387 -0.252 19946 4600 1 10 . 1 1 74 74 ASP CA C 74 55.891 55.891 57.396 -1.505 19946 4601 1 10 . 1 1 74 74 ASP CB C 74 38.699 38.699 40.593 -1.894 19946 4602 1 10 . 1 1 74 74 ASP H H 74 8.346 8.346 8.593 -0.247 19946 4603 1 10 . 1 1 75 75 LYS N N 75 122.469 122.469 119.150 3.319 19946 4604 1 10 . 1 1 75 75 LYS HA H 75 4.024 4.024 4.070 -0.046 19946 4605 1 10 . 1 1 75 75 LYS CA C 75 57.861 57.861 58.883 -1.022 19946 4606 1 10 . 1 1 75 75 LYS CB C 75 31.660 31.660 32.090 -0.430 19946 4607 1 10 . 1 1 75 75 LYS H H 75 7.583 7.583 8.296 -0.713 19946 4608 1 10 . 1 1 76 76 LEU N N 76 119.196 119.196 119.339 -0.143 19946 4609 1 10 . 1 1 76 76 LEU HA H 76 3.570 3.570 4.042 -0.472 19946 4610 1 10 . 1 1 76 76 LEU CA C 76 56.852 56.852 57.724 -0.872 19946 4611 1 10 . 1 1 76 76 LEU CB C 76 39.245 39.245 41.783 -2.538 19946 4612 1 10 . 1 1 76 76 LEU H H 76 8.069 8.069 7.596 0.473 19946 4613 1 10 . 1 1 77 77 ALA N N 77 120.302 120.302 119.916 0.386 19946 4614 1 10 . 1 1 77 77 ALA HA H 77 3.985 3.985 3.970 0.015 19946 4615 1 10 . 1 1 77 77 ALA CA C 77 53.794 53.794 54.443 -0.649 19946 4616 1 10 . 1 1 77 77 ALA CB C 77 17.353 17.353 18.518 -1.165 19946 4617 1 10 . 1 1 77 77 ALA H H 77 8.063 8.063 8.472 -0.409 19946 4618 1 10 . 1 1 78 78 ALA N N 78 119.602 119.602 118.214 1.388 19946 4619 1 10 . 1 1 78 78 ALA HA H 78 4.138 4.138 4.289 -0.151 19946 4620 1 10 . 1 1 78 78 ALA CA C 78 54.049 54.049 53.042 1.007 19946 4621 1 10 . 1 1 78 78 ALA CB C 78 17.520 17.520 19.695 -2.175 19946 4622 1 10 . 1 1 78 78 ALA H H 78 7.274 7.274 7.484 -0.210 19946 4623 1 10 . 1 1 79 79 ILE N N 79 118.809 118.809 119.816 -1.007 19946 4624 1 10 . 1 1 79 79 ILE HA H 79 3.798 3.798 3.789 0.009 19946 4625 1 10 . 1 1 79 79 ILE CA C 79 63.354 63.354 63.621 -0.267 19946 4626 1 10 . 1 1 79 79 ILE CB C 79 38.422 38.422 38.401 0.021 19946 4627 1 10 . 1 1 79 79 ILE H H 79 8.170 8.170 8.325 -0.155 19946 4628 1 10 . 1 1 80 80 ALA N N 80 118.736 118.736 118.639 0.097 19946 4629 1 10 . 1 1 80 80 ALA HA H 80 4.412 4.412 4.628 -0.216 19946 4630 1 10 . 1 1 80 80 ALA CA C 80 50.801 50.801 50.447 0.354 19946 4631 1 10 . 1 1 80 80 ALA CB C 80 19.537 19.537 18.852 0.685 19946 4632 1 10 . 1 1 80 80 ALA H H 80 7.857 7.857 7.523 0.334 19946 4633 1 10 . 1 1 81 81 ALA N N 81 124.485 124.485 122.715 1.770 19946 4634 1 10 . 1 1 81 81 ALA HA H 81 4.353 4.353 5.117 -0.764 19946 4635 1 10 . 1 1 81 81 ALA CA C 81 51.305 51.305 49.161 2.144 19946 4636 1 10 . 1 1 81 81 ALA CB C 81 16.511 16.511 18.815 -2.304 19946 4637 1 10 . 1 1 81 81 ALA H H 81 7.191 7.191 7.560 -0.369 19946 4638 1 10 . 1 1 82 82 PRO CA C 82 62.903 62.903 62.933 -0.030 19946 4639 1 10 . 1 1 83 83 ALA N N 83 128.367 128.367 122.124 6.243 19946 4640 1 10 . 1 1 83 83 ALA HA H 83 4.058 4.058 4.054 0.004 19946 4641 1 10 . 1 1 83 83 ALA CA C 83 52.314 52.314 52.515 -0.201 19946 4642 1 10 . 1 1 83 83 ALA CB C 83 19.001 19.001 19.390 -0.389 19946 4643 1 10 . 1 1 83 83 ALA H H 83 8.472 8.472 7.652 0.820 19946 4644 1 10 . 1 1 84 84 GLU N N 84 122.108 122.108 122.581 -0.473 19946 4645 1 10 . 1 1 84 84 GLU HA H 84 4.164 4.164 4.175 -0.011 19946 4646 1 10 . 1 1 84 84 GLU CA C 84 55.937 55.937 56.480 -0.543 19946 4647 1 10 . 1 1 84 84 GLU CB C 84 30.213 30.213 29.670 0.543 19946 4648 1 10 . 1 1 84 84 GLU H H 84 8.106 8.106 8.526 -0.420 19946 4649 1 10 . 1 1 85 85 ILE N N 85 122.808 122.808 122.667 0.141 19946 4650 1 10 . 1 1 85 85 ILE HA H 85 5.211 5.211 4.628 0.583 19946 4651 1 10 . 1 1 85 85 ILE CA C 85 58.365 58.365 59.173 -0.808 19946 4652 1 10 . 1 1 85 85 ILE CB C 85 39.707 39.707 40.642 -0.935 19946 4653 1 10 . 1 1 85 85 ILE H H 85 7.850 7.850 7.889 -0.039 19946 4654 1 10 . 1 1 86 86 PHE N N 86 122.937 122.937 117.544 5.393 19946 4655 1 10 . 1 1 86 86 PHE HA H 86 5.388 5.388 4.706 0.682 19946 4656 1 10 . 1 1 86 86 PHE CA C 86 54.509 54.509 56.762 -2.253 19946 4657 1 10 . 1 1 86 86 PHE CB C 86 42.878 42.878 42.750 0.128 19946 4658 1 10 . 1 1 86 86 PHE H H 86 9.004 9.004 7.618 1.386 19946 4659 1 10 . 1 1 87 87 LEU N N 87 120.712 120.712 118.463 2.249 19946 4660 1 10 . 1 1 87 87 LEU HA H 87 5.295 5.295 4.932 0.363 19946 4661 1 10 . 1 1 87 87 LEU CA C 87 51.810 51.810 53.435 -1.625 19946 4662 1 10 . 1 1 87 87 LEU CB C 87 42.059 42.059 45.353 -3.295 19946 4663 1 10 . 1 1 87 87 LEU H H 87 8.785 8.785 8.942 -0.157 19946 4664 1 10 . 1 1 88 88 LEU N N 88 124.779 124.779 122.547 2.232 19946 4665 1 10 . 1 1 88 88 LEU HA H 88 4.434 4.434 4.921 -0.487 19946 4666 1 10 . 1 1 88 88 LEU CA C 88 54.331 54.331 53.318 1.013 19946 4667 1 10 . 1 1 88 88 LEU CB C 88 42.648 42.648 44.351 -1.703 19946 4668 1 10 . 1 1 88 88 LEU H H 88 8.243 8.243 8.144 0.099 19946 4669 1 10 . 1 1 89 89 GLU N N 89 112.478 112.478 127.184 -14.706 19946 4670 1 10 . 1 1 89 89 GLU HA H 89 3.881 3.881 3.932 -0.051 19946 4671 1 10 . 1 1 89 89 GLU H H 89 9.343 9.343 7.997 1.346 19946 4672 1 10 . 1 1 90 90 ASP N N 90 120.709 120.709 121.203 -0.494 19946 4673 1 10 . 1 1 90 90 ASP HA H 90 4.168 4.168 4.165 0.003 19946 4674 1 10 . 1 1 90 90 ASP H H 90 9.062 9.062 7.932 1.130 19946 4675 1 10 . 1 1 91 91 GLY N N 91 105.049 105.049 109.032 -3.983 19946 4676 1 10 . 1 1 91 91 GLY CA C 91 46.263 46.263 46.171 0.092 19946 4677 1 10 . 1 1 91 91 GLY H H 91 7.848 7.848 8.701 -0.853 19946 4678 1 10 . 1 1 92 92 ILE N N 92 122.127 122.127 122.830 -0.703 19946 4679 1 10 . 1 1 92 92 ILE HA H 92 3.811 3.811 3.832 -0.021 19946 4680 1 10 . 1 1 92 92 ILE CA C 92 62.656 62.656 64.009 -1.353 19946 4681 1 10 . 1 1 92 92 ILE CB C 92 37.243 37.243 37.811 -0.568 19946 4682 1 10 . 1 1 92 92 ILE H H 92 8.077 8.077 7.724 0.353 19946 4683 1 10 . 1 1 93 93 ASP N N 93 127.038 127.038 118.219 8.819 19946 4684 1 10 . 1 1 93 93 ASP HA H 93 4.452 4.452 4.290 0.162 19946 4685 1 10 . 1 1 93 93 ASP CA C 93 57.357 57.357 56.926 0.431 19946 4686 1 10 . 1 1 93 93 ASP CB C 93 38.194 38.194 40.313 -2.119 19946 4687 1 10 . 1 1 93 93 ASP H H 93 9.094 9.094 8.422 0.672 19946 4688 1 10 . 1 1 94 94 GLY N N 94 111.411 111.411 107.019 4.392 19946 4689 1 10 . 1 1 94 94 GLY CA C 94 44.750 44.750 46.438 -1.688 19946 4690 1 10 . 1 1 94 94 GLY H H 94 8.047 8.047 8.291 -0.244 19946 4691 1 10 . 1 1 95 95 TRP N N 95 127.574 127.574 123.977 3.597 19946 4692 1 10 . 1 1 95 95 TRP HA H 95 3.738 3.738 4.284 -0.546 19946 4693 1 10 . 1 1 95 95 TRP CA C 95 60.852 60.852 58.365 2.487 19946 4694 1 10 . 1 1 95 95 TRP CB C 95 28.613 28.613 29.356 -0.743 19946 4695 1 10 . 1 1 95 95 TRP H H 95 7.918 7.918 8.020 -0.102 19946 4696 1 10 . 1 1 96 96 LYS N N 96 117.374 117.374 119.145 -1.771 19946 4697 1 10 . 1 1 96 96 LYS HA H 96 4.079 4.079 4.142 -0.063 19946 4698 1 10 . 1 1 96 96 LYS CA C 96 59.091 59.091 56.709 2.382 19946 4699 1 10 . 1 1 96 96 LYS H H 96 8.625 8.625 8.278 0.347 19946 4700 1 10 . 1 1 97 97 LYS N N 97 123.490 123.490 120.838 2.652 19946 4701 1 10 . 1 1 97 97 LYS HA H 97 4.021 4.021 4.082 -0.061 19946 4702 1 10 . 1 1 97 97 LYS CB C 97 31.542 31.542 32.406 -0.864 19946 4703 1 10 . 1 1 97 97 LYS H H 97 8.233 8.233 8.339 -0.106 19946 4704 1 10 . 1 1 98 98 ALA N N 98 120.321 120.321 118.818 1.503 19946 4705 1 10 . 1 1 98 98 ALA HA H 98 4.248 4.248 4.548 -0.300 19946 4706 1 10 . 1 1 98 98 ALA CA C 98 51.305 51.305 51.028 0.277 19946 4707 1 10 . 1 1 98 98 ALA CB C 98 17.744 17.744 18.824 -1.080 19946 4708 1 10 . 1 1 98 98 ALA H H 98 7.480 7.480 7.090 0.390 19946 4709 1 10 . 1 1 99 99 GLY N N 99 106.984 106.984 109.125 -2.141 19946 4710 1 10 . 1 1 99 99 GLY CA C 99 44.246 44.246 46.075 -1.829 19946 4711 1 10 . 1 1 99 99 GLY H H 99 7.867 7.867 8.096 -0.229 19946 4712 1 10 . 1 1 100 100 LEU N N 100 122.993 122.993 120.600 2.393 19946 4713 1 10 . 1 1 100 100 LEU HA H 100 4.277 4.277 4.376 -0.099 19946 4714 1 10 . 1 1 100 100 LEU CA C 100 52.314 52.314 50.750 1.564 19946 4715 1 10 . 1 1 100 100 LEU CB C 100 36.786 36.786 41.500 -4.714 19946 4716 1 10 . 1 1 100 100 LEU H H 100 6.958 6.958 7.043 -0.085 19946 4717 1 10 . 1 1 101 101 PRO HA H 101 4.492 4.492 4.543 -0.051 19946 4718 1 10 . 1 1 101 101 PRO CB C 101 32.097 32.097 32.027 0.070 19946 4719 1 10 . 1 1 102 102 VAL N N 102 111.514 111.514 116.964 -5.450 19946 4720 1 10 . 1 1 102 102 VAL HA H 102 4.367 4.367 4.353 0.014 19946 4721 1 10 . 1 1 102 102 VAL CA C 102 58.869 58.869 61.523 -2.655 19946 4722 1 10 . 1 1 102 102 VAL CB C 102 35.351 35.351 32.429 2.922 19946 4723 1 10 . 1 1 102 102 VAL H H 102 7.988 7.988 8.356 -0.368 19946 4724 1 10 . 1 1 103 103 ALA N N 103 126.676 126.676 123.061 3.615 19946 4725 1 10 . 1 1 103 103 ALA HA H 103 4.524 4.524 4.320 0.204 19946 4726 1 10 . 1 1 103 103 ALA CA C 103 49.793 49.793 52.335 -2.542 19946 4727 1 10 . 1 1 103 103 ALA CB C 103 18.600 18.600 16.811 1.790 19946 4728 1 10 . 1 1 103 103 ALA H H 103 8.919 8.919 8.304 0.615 19946 4729 1 10 . 1 1 104 104 VAL N N 104 121.148 121.148 121.204 -0.056 19946 4730 1 10 . 1 1 104 104 VAL HA H 104 4.475 4.475 4.275 0.200 19946 4731 1 10 . 1 1 104 104 VAL CA C 104 59.374 59.374 61.647 -2.273 19946 4732 1 10 . 1 1 104 104 VAL CB C 104 33.884 33.884 33.514 0.370 19946 4733 1 10 . 1 1 104 104 VAL H H 104 8.241 8.241 7.643 0.598 19946 4734 1 10 . 1 1 105 105 ASN N N 105 123.816 123.816 118.959 4.857 19946 4735 1 10 . 1 1 105 105 ASN HA H 105 4.674 4.674 4.567 0.107 19946 4736 1 10 . 1 1 105 105 ASN CA C 105 53.200 53.200 53.510 -0.310 19946 4737 1 10 . 1 1 105 105 ASN CB C 105 37.959 37.959 38.521 -0.562 19946 4738 1 10 . 1 1 105 105 ASN H H 105 8.150 8.150 8.312 -0.162 19946 4739 1 10 . 1 1 106 106 LYS N N 106 123.804 123.804 119.707 4.097 19946 4740 1 10 . 1 1 106 106 LYS H H 106 8.340 8.340 8.510 -0.170 19946 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 98 3.495 -0.611 3.459 19946 2 1 1 "Average Difference" HA 107 0.382 0.081 0.375 19946 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19946 4 1 1 "Average Difference" CA 94 1.412 0.295 1.389 19946 5 1 1 "Average Difference" CB 89 1.617 0.647 1.490 19946 6 1 1 "Average Difference" HN 98 0.664 -0.037 0.667 19946 7 1 2 "Average Difference" N 98 3.916 -1.012 3.802 19946 8 1 2 "Average Difference" HA 107 0.400 0.056 0.398 19946 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19946 10 1 2 "Average Difference" CA 94 1.420 0.400 1.370 19946 11 1 2 "Average Difference" CB 89 1.627 0.773 1.439 19946 12 1 2 "Average Difference" HN 98 0.719 -0.057 0.720 19946 13 1 3 "Average Difference" N 98 3.939 -1.160 3.784 19946 14 1 3 "Average Difference" HA 107 0.400 0.075 0.395 19946 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19946 16 1 3 "Average Difference" CA 94 1.325 0.246 1.309 19946 17 1 3 "Average Difference" CB 89 1.688 0.807 1.491 19946 18 1 3 "Average Difference" HN 98 0.688 -0.070 0.688 19946 19 1 4 "Average Difference" N 98 3.577 -1.025 3.445 19946 20 1 4 "Average Difference" HA 107 0.387 0.042 0.387 19946 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19946 22 1 4 "Average Difference" CA 94 1.442 0.430 1.384 19946 23 1 4 "Average Difference" CB 89 1.731 0.671 1.605 19946 24 1 4 "Average Difference" HN 98 0.662 -0.075 0.661 19946 25 1 5 "Average Difference" N 98 3.905 -0.811 3.839 19946 26 1 5 "Average Difference" HA 107 0.372 0.053 0.370 19946 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19946 28 1 5 "Average Difference" CA 94 1.312 0.395 1.257 19946 29 1 5 "Average Difference" CB 89 1.545 0.766 1.349 19946 30 1 5 "Average Difference" HN 98 0.738 -0.048 0.740 19946 31 1 6 "Average Difference" N 98 3.616 -0.830 3.538 19946 32 1 6 "Average Difference" HA 107 0.364 0.054 0.362 19946 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19946 34 1 6 "Average Difference" CA 94 1.445 0.462 1.377 19946 35 1 6 "Average Difference" CB 89 1.573 0.700 1.417 19946 36 1 6 "Average Difference" HN 98 0.677 -0.076 0.676 19946 37 1 7 "Average Difference" N 98 3.562 -1.000 3.436 19946 38 1 7 "Average Difference" HA 107 0.359 0.052 0.357 19946 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19946 40 1 7 "Average Difference" CA 94 1.354 0.386 1.305 19946 41 1 7 "Average Difference" CB 89 1.685 0.786 1.499 19946 42 1 7 "Average Difference" HN 98 0.667 -0.028 0.670 19946 43 1 8 "Average Difference" N 98 3.727 -0.733 3.673 19946 44 1 8 "Average Difference" HA 107 0.366 0.045 0.365 19946 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19946 46 1 8 "Average Difference" CA 94 1.353 0.484 1.270 19946 47 1 8 "Average Difference" CB 89 1.646 0.818 1.436 19946 48 1 8 "Average Difference" HN 98 0.711 -0.009 0.715 19946 49 1 9 "Average Difference" N 98 3.751 -0.770 3.690 19946 50 1 9 "Average Difference" HA 107 0.406 0.053 0.404 19946 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19946 52 1 9 "Average Difference" CA 94 1.391 0.296 1.366 19946 53 1 9 "Average Difference" CB 89 1.704 0.625 1.594 19946 54 1 9 "Average Difference" HN 98 0.630 -0.059 0.630 19946 55 1 10 "Average Difference" N 98 3.458 -0.785 3.385 19946 56 1 10 "Average Difference" HA 107 0.383 0.050 0.382 19946 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19946 58 1 10 "Average Difference" CA 94 1.388 0.371 1.344 19946 59 1 10 "Average Difference" CB 89 1.638 0.772 1.453 19946 60 1 10 "Average Difference" HN 98 0.652 -0.052 0.653 19946 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 19946 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LEU N N 2 120.763 120.763 121.978 -1.215 19946 2 1 . 1 1 2 2 LEU HA H 2 4.384 4.384 4.438 -0.055 19946 3 1 . 1 1 2 2 LEU CA C 2 53.827 53.827 55.204 -1.377 19946 4 1 . 1 1 2 2 LEU CB C 2 42.229 42.229 41.009 1.220 19946 5 1 . 1 1 2 2 LEU H H 2 7.888 7.888 8.447 -0.559 19946 6 1 . 1 1 3 3 THR N N 3 118.330 118.330 119.264 -0.934 19946 7 1 . 1 1 3 3 THR HA H 3 4.469 4.469 4.636 -0.167 19946 8 1 . 1 1 3 3 THR CA C 3 61.391 61.391 60.879 0.512 19946 9 1 . 1 1 3 3 THR CB C 3 69.496 69.496 71.008 -1.512 19946 10 1 . 1 1 3 3 THR H H 3 7.905 7.905 7.981 -0.076 19946 11 1 . 1 1 4 4 THR N N 4 122.024 122.024 116.527 5.498 19946 12 1 . 1 1 4 4 THR HA H 4 5.171 5.171 5.203 -0.032 19946 13 1 . 1 1 4 4 THR CA C 4 61.595 61.595 60.986 0.609 19946 14 1 . 1 1 4 4 THR CB C 4 69.027 69.027 70.292 -1.265 19946 15 1 . 1 1 4 4 THR H H 4 8.504 8.504 8.369 0.135 19946 16 1 . 1 1 5 5 ILE N N 5 122.667 122.667 121.432 1.235 19946 17 1 . 1 1 5 5 ILE HA H 5 4.973 4.973 4.590 0.383 19946 18 1 . 1 1 5 5 ILE CA C 5 57.971 57.971 59.425 -1.454 19946 19 1 . 1 1 5 5 ILE CB C 5 41.458 41.458 41.059 0.399 19946 20 1 . 1 1 5 5 ILE H H 5 8.903 8.903 8.290 0.613 19946 21 1 . 1 1 6 6 SER N N 6 123.156 123.156 115.652 7.504 19946 22 1 . 1 1 6 6 SER HA H 6 4.785 4.785 4.868 -0.083 19946 23 1 . 1 1 6 6 SER H H 6 9.138 9.138 8.406 0.732 19946 24 1 . 1 1 7 7 PRO HA H 7 4.004 4.004 4.594 -0.590 19946 25 1 . 1 1 7 7 PRO CA C 7 65.510 65.510 63.928 1.582 19946 26 1 . 1 1 7 7 PRO CB C 7 30.924 30.924 31.429 -0.505 19946 27 1 . 1 1 8 8 HIS N N 8 114.319 114.319 117.486 -3.167 19946 28 1 . 1 1 8 8 HIS HA H 8 3.989 3.989 4.482 -0.493 19946 29 1 . 1 1 8 8 HIS CA C 8 60.050 60.050 58.487 1.563 19946 30 1 . 1 1 8 8 HIS CB C 8 28.613 28.613 30.718 -2.105 19946 31 1 . 1 1 8 8 HIS H H 8 8.127 8.127 8.507 -0.380 19946 32 1 . 1 1 9 9 ASP N N 9 121.300 121.300 119.271 2.029 19946 33 1 . 1 1 9 9 ASP HA H 9 4.301 4.301 4.614 -0.313 19946 34 1 . 1 1 9 9 ASP CA C 9 56.455 56.455 55.959 0.496 19946 35 1 . 1 1 9 9 ASP CB C 9 38.699 38.699 41.284 -2.585 19946 36 1 . 1 1 9 9 ASP H H 9 7.639 7.639 8.193 -0.554 19946 37 1 . 1 1 10 10 ALA N N 10 123.991 123.991 122.689 1.302 19946 38 1 . 1 1 10 10 ALA HA H 10 3.719 3.719 4.109 -0.390 19946 39 1 . 1 1 10 10 ALA CA C 10 54.331 54.331 54.859 -0.528 19946 40 1 . 1 1 10 10 ALA CB C 10 17.549 17.549 18.463 -0.914 19946 41 1 . 1 1 10 10 ALA H H 10 8.820 8.820 7.945 0.875 19946 42 1 . 1 1 11 11 GLN N N 11 118.128 118.128 116.549 1.579 19946 43 1 . 1 1 11 11 GLN HA H 11 3.933 3.933 4.176 -0.243 19946 44 1 . 1 1 11 11 GLN CA C 11 59.389 59.389 57.800 1.589 19946 45 1 . 1 1 11 11 GLN CB C 11 27.948 27.948 28.477 -0.530 19946 46 1 . 1 1 11 11 GLN H H 11 8.353 8.353 8.340 0.013 19946 47 1 . 1 1 12 12 GLU N N 12 119.307 119.307 120.066 -0.759 19946 48 1 . 1 1 12 12 GLU HA H 12 4.023 4.023 4.269 -0.246 19946 49 1 . 1 1 12 12 GLU CA C 12 58.476 58.476 58.245 0.231 19946 50 1 . 1 1 12 12 GLU CB C 12 28.532 28.532 30.087 -1.555 19946 51 1 . 1 1 12 12 GLU H H 12 7.197 7.197 7.968 -0.771 19946 52 1 . 1 1 13 13 LEU N N 13 120.635 120.635 118.581 2.054 19946 53 1 . 1 1 13 13 LEU HA H 13 3.821 3.821 4.143 -0.322 19946 54 1 . 1 1 13 13 LEU CA C 13 57.065 57.065 57.796 -0.731 19946 55 1 . 1 1 13 13 LEU CB C 13 40.890 40.890 41.789 -0.899 19946 56 1 . 1 1 13 13 LEU H H 13 7.554 7.554 7.427 0.127 19946 57 1 . 1 1 14 14 ILE N N 14 123.021 123.021 119.384 3.637 19946 58 1 . 1 1 14 14 ILE HA H 14 3.827 3.827 3.885 -0.058 19946 59 1 . 1 1 14 14 ILE CA C 14 64.053 64.053 64.685 -0.632 19946 60 1 . 1 1 14 14 ILE CB C 14 38.115 38.115 37.663 0.452 19946 61 1 . 1 1 14 14 ILE H H 14 8.710 8.710 7.895 0.815 19946 62 1 . 1 1 15 15 ALA N N 15 124.504 124.504 119.789 4.715 19946 63 1 . 1 1 15 15 ALA HA H 15 4.115 4.115 4.196 -0.081 19946 64 1 . 1 1 15 15 ALA CA C 15 54.257 54.257 53.734 0.523 19946 65 1 . 1 1 15 15 ALA CB C 15 17.040 17.040 18.458 -1.418 19946 66 1 . 1 1 15 15 ALA H H 15 7.758 7.758 7.829 -0.071 19946 67 1 . 1 1 16 16 ARG N N 16 115.990 115.990 116.928 -0.938 19946 68 1 . 1 1 16 16 ARG HA H 16 4.348 4.348 4.365 -0.017 19946 69 1 . 1 1 16 16 ARG CA C 16 55.416 55.416 56.647 -1.231 19946 70 1 . 1 1 16 16 ARG CB C 16 29.762 29.762 31.135 -1.373 19946 71 1 . 1 1 16 16 ARG H H 16 7.252 7.252 7.852 -0.600 19946 72 1 . 1 1 17 17 GLY N N 17 107.981 107.981 105.751 2.230 19946 73 1 . 1 1 17 17 GLY CA C 17 44.854 44.854 44.795 0.059 19946 74 1 . 1 1 17 17 GLY H H 17 7.748 7.748 7.530 0.218 19946 75 1 . 1 1 18 18 ALA N N 18 123.914 123.914 124.350 -0.436 19946 76 1 . 1 1 18 18 ALA HA H 18 4.221 4.221 4.334 -0.113 19946 77 1 . 1 1 18 18 ALA CA C 18 52.270 52.270 52.525 -0.255 19946 78 1 . 1 1 18 18 ALA CB C 18 18.638 18.638 19.827 -1.189 19946 79 1 . 1 1 18 18 ALA H H 18 7.940 7.940 7.861 0.079 19946 80 1 . 1 1 19 19 LYS N N 19 119.436 119.436 121.882 -2.446 19946 81 1 . 1 1 19 19 LYS HA H 19 4.301 4.301 4.409 -0.108 19946 82 1 . 1 1 19 19 LYS CA C 19 53.105 53.105 55.473 -2.368 19946 83 1 . 1 1 19 19 LYS CB C 19 32.856 32.856 35.020 -2.164 19946 84 1 . 1 1 19 19 LYS H H 19 7.565 7.565 8.292 -0.727 19946 85 1 . 1 1 20 20 LEU N N 20 127.401 127.401 122.727 4.674 19946 86 1 . 1 1 20 20 LEU HA H 20 5.042 5.042 4.747 0.295 19946 87 1 . 1 1 20 20 LEU CA C 20 52.314 52.314 53.884 -1.570 19946 88 1 . 1 1 20 20 LEU CB C 20 43.234 43.234 44.743 -1.509 19946 89 1 . 1 1 20 20 LEU H H 20 8.727 8.727 8.289 0.438 19946 90 1 . 1 1 21 21 ILE N N 21 128.186 128.186 124.730 3.456 19946 91 1 . 1 1 21 21 ILE HA H 21 4.547 4.547 4.398 0.149 19946 92 1 . 1 1 21 21 ILE CA C 21 59.589 59.589 59.653 -0.064 19946 93 1 . 1 1 21 21 ILE CB C 21 38.545 38.545 41.291 -2.746 19946 94 1 . 1 1 21 21 ILE H H 21 9.366 9.366 7.958 1.408 19946 95 1 . 1 1 22 22 ASP N N 22 129.968 129.968 125.374 4.594 19946 96 1 . 1 1 22 22 ASP HA H 22 3.803 3.803 4.974 -1.171 19946 97 1 . 1 1 22 22 ASP CA C 22 51.435 51.435 52.972 -1.537 19946 98 1 . 1 1 22 22 ASP CB C 22 42.062 42.062 42.709 -0.647 19946 99 1 . 1 1 22 22 ASP H H 22 8.583 8.583 8.050 0.533 19946 100 1 . 1 1 23 23 ILE N N 23 116.266 116.266 118.756 -2.490 19946 101 1 . 1 1 23 23 ILE HA H 23 5.229 5.229 4.367 0.862 19946 102 1 . 1 1 23 23 ILE CA C 23 59.374 59.374 60.071 -0.697 19946 103 1 . 1 1 23 23 ILE CB C 23 37.327 37.327 36.719 0.608 19946 104 1 . 1 1 23 23 ILE H H 23 7.836 7.836 7.854 -0.018 19946 105 1 . 1 1 24 24 ARG N N 24 125.001 125.001 120.352 4.649 19946 106 1 . 1 1 24 24 ARG HA H 24 4.116 4.116 4.465 -0.349 19946 107 1 . 1 1 24 24 ARG CA C 24 55.943 55.943 54.567 1.376 19946 108 1 . 1 1 24 24 ARG CB C 24 30.135 30.135 31.658 -1.523 19946 109 1 . 1 1 24 24 ARG H H 24 8.195 8.195 7.356 0.839 19946 110 1 . 1 1 25 25 ASP N N 25 112.839 112.839 119.643 -6.804 19946 111 1 . 1 1 25 25 ASP HA H 25 4.545 4.545 4.586 -0.041 19946 112 1 . 1 1 25 25 ASP CA C 25 53.870 53.870 54.546 -0.676 19946 113 1 . 1 1 25 25 ASP CB C 25 41.327 41.327 41.540 -0.213 19946 114 1 . 1 1 25 25 ASP H H 25 7.660 7.660 8.418 -0.758 19946 115 1 . 1 1 26 26 ALA N N 26 122.145 122.145 122.396 -0.251 19946 116 1 . 1 1 26 26 ALA HA H 26 3.897 3.897 4.297 -0.400 19946 117 1 . 1 1 26 26 ALA CA C 26 54.958 54.958 54.008 0.950 19946 118 1 . 1 1 26 26 ALA CB C 26 17.520 17.520 19.834 -2.314 19946 119 1 . 1 1 26 26 ALA H H 26 8.766 8.766 8.317 0.449 19946 120 1 . 1 1 27 27 ASP N N 27 115.380 115.380 118.373 -2.993 19946 121 1 . 1 1 27 27 ASP HA H 27 4.299 4.299 4.416 -0.117 19946 122 1 . 1 1 27 27 ASP CA C 27 56.451 56.451 56.510 -0.059 19946 123 1 . 1 1 27 27 ASP CB C 27 39.156 39.156 40.384 -1.228 19946 124 1 . 1 1 27 27 ASP H H 27 8.686 8.686 8.486 0.200 19946 125 1 . 1 1 28 28 GLU N N 28 120.081 120.081 118.017 2.064 19946 126 1 . 1 1 28 28 GLU HA H 28 4.086 4.086 4.126 -0.040 19946 127 1 . 1 1 28 28 GLU CA C 28 58.389 58.389 58.482 -0.093 19946 128 1 . 1 1 28 28 GLU CB C 28 28.728 28.728 29.549 -0.821 19946 129 1 . 1 1 28 28 GLU H H 28 7.397 7.397 8.604 -1.207 19946 130 1 . 1 1 29 29 TYR N N 29 121.205 121.205 118.840 2.365 19946 131 1 . 1 1 29 29 TYR HA H 29 4.083 4.083 4.645 -0.562 19946 132 1 . 1 1 29 29 TYR CA C 29 60.378 60.378 58.147 2.231 19946 133 1 . 1 1 29 29 TYR CB C 29 38.699 38.699 39.178 -0.479 19946 134 1 . 1 1 29 29 TYR H H 29 7.506 7.506 7.888 -0.382 19946 135 1 . 1 1 30 30 LEU N N 30 118.828 118.828 120.675 -1.847 19946 136 1 . 1 1 30 30 LEU HA H 30 3.850 3.850 3.922 -0.072 19946 137 1 . 1 1 30 30 LEU CA C 30 56.348 56.348 56.950 -0.602 19946 138 1 . 1 1 30 30 LEU CB C 30 41.220 41.220 41.729 -0.509 19946 139 1 . 1 1 30 30 LEU H H 30 8.211 8.211 7.851 0.360 19946 140 1 . 1 1 31 31 ARG N N 31 118.220 118.220 117.636 0.584 19946 141 1 . 1 1 31 31 ARG HA H 31 4.101 4.101 4.196 -0.095 19946 142 1 . 1 1 31 31 ARG CA C 31 58.365 58.365 57.531 0.834 19946 143 1 . 1 1 31 31 ARG CB C 31 30.074 30.074 31.092 -1.018 19946 144 1 . 1 1 31 31 ARG H H 31 7.120 7.120 8.042 -0.922 19946 145 1 . 1 1 32 32 GLU N N 32 117.980 117.980 117.671 0.309 19946 146 1 . 1 1 32 32 GLU HA H 32 4.884 4.884 4.446 0.438 19946 147 1 . 1 1 32 32 GLU CA C 32 55.339 55.339 56.464 -1.125 19946 148 1 . 1 1 32 32 GLU CB C 32 31.698 31.698 30.986 0.712 19946 149 1 . 1 1 32 32 GLU H H 32 7.506 7.506 8.208 -0.702 19946 150 1 . 1 1 33 33 HIS N N 33 118.257 118.257 118.091 0.166 19946 151 1 . 1 1 33 33 HIS HA H 33 4.643 4.643 4.744 -0.101 19946 152 1 . 1 1 33 33 HIS CA C 33 53.766 53.766 54.889 -1.124 19946 153 1 . 1 1 33 33 HIS CB C 33 29.940 29.940 31.657 -1.716 19946 154 1 . 1 1 33 33 HIS H H 33 8.269 8.269 8.425 -0.156 19946 155 1 . 1 1 34 34 ILE N N 34 127.809 127.809 120.410 7.399 19946 156 1 . 1 1 34 34 ILE HA H 34 3.920 3.920 4.118 -0.197 19946 157 1 . 1 1 34 34 ILE CA C 34 59.648 59.648 59.958 -0.310 19946 158 1 . 1 1 34 34 ILE CB C 34 37.959 37.959 40.396 -2.436 19946 159 1 . 1 1 34 34 ILE H H 34 9.989 9.989 8.237 1.752 19946 160 1 . 1 1 35 35 PRO HA H 35 4.198 4.198 4.254 -0.056 19946 161 1 . 1 1 36 36 GLU N N 36 114.414 114.414 120.308 -5.894 19946 162 1 . 1 1 36 36 GLU HA H 36 4.082 4.082 3.979 0.103 19946 163 1 . 1 1 36 36 GLU CA C 36 57.861 57.861 56.859 1.002 19946 164 1 . 1 1 36 36 GLU CB C 36 28.109 28.109 29.404 -1.296 19946 165 1 . 1 1 36 36 GLU H H 36 8.557 8.557 8.071 0.486 19946 166 1 . 1 1 37 37 ALA N N 37 122.882 122.882 124.307 -1.425 19946 167 1 . 1 1 37 37 ALA HA H 37 4.439 4.439 4.697 -0.258 19946 168 1 . 1 1 37 37 ALA CA C 37 52.005 52.005 51.547 0.458 19946 169 1 . 1 1 37 37 ALA CB C 37 20.438 20.438 21.518 -1.080 19946 170 1 . 1 1 37 37 ALA H H 37 8.096 8.096 8.090 0.006 19946 171 1 . 1 1 38 38 ASP N N 38 124.471 124.471 118.408 6.063 19946 172 1 . 1 1 38 38 ASP HA H 38 4.844 4.844 4.830 0.014 19946 173 1 . 1 1 38 38 ASP CA C 38 52.614 52.614 53.910 -1.296 19946 174 1 . 1 1 38 38 ASP CB C 38 44.407 44.407 43.611 0.795 19946 175 1 . 1 1 38 38 ASP H H 38 9.004 9.004 8.491 0.513 19946 176 1 . 1 1 39 39 LEU N N 39 123.936 123.936 123.966 -0.030 19946 177 1 . 1 1 39 39 LEU HA H 39 4.328 4.328 4.166 0.163 19946 178 1 . 1 1 39 39 LEU CA C 39 54.037 54.037 55.944 -1.907 19946 179 1 . 1 1 39 39 LEU CB C 39 41.220 41.220 41.839 -0.619 19946 180 1 . 1 1 39 39 LEU H H 39 8.125 8.125 8.414 -0.289 19946 181 1 . 1 1 40 40 ALA N N 40 131.297 131.297 127.153 4.144 19946 182 1 . 1 1 40 40 ALA HA H 40 4.408 4.408 4.534 -0.127 19946 183 1 . 1 1 40 40 ALA CA C 40 48.784 48.784 50.675 -1.891 19946 184 1 . 1 1 40 40 ALA CB C 40 17.979 17.979 19.499 -1.520 19946 185 1 . 1 1 40 40 ALA H H 40 8.654 8.654 8.336 0.318 19946 186 1 . 1 1 41 41 PRO HA H 41 4.101 4.101 4.634 -0.533 19946 187 1 . 1 1 41 41 PRO CA C 41 61.391 61.391 62.247 -0.856 19946 188 1 . 1 1 41 41 PRO CB C 41 32.097 32.097 32.637 -0.540 19946 189 1 . 1 1 42 42 LEU N N 42 125.312 125.312 120.403 4.909 19946 190 1 . 1 1 42 42 LEU HA H 42 3.871 3.871 3.861 0.010 19946 191 1 . 1 1 42 42 LEU CA C 42 57.861 57.861 58.653 -0.792 19946 192 1 . 1 1 42 42 LEU CB C 42 40.941 40.941 41.174 -0.233 19946 193 1 . 1 1 42 42 LEU H H 42 8.285 8.285 8.504 -0.219 19946 194 1 . 1 1 43 43 SER N N 43 110.669 110.669 114.247 -3.578 19946 195 1 . 1 1 43 43 SER HA H 43 4.106 4.106 4.098 0.008 19946 196 1 . 1 1 43 43 SER CA C 43 60.497 60.497 61.940 -1.443 19946 197 1 . 1 1 43 43 SER CB C 43 61.391 61.391 62.594 -1.203 19946 198 1 . 1 1 43 43 SER H H 43 8.453 8.453 8.224 0.229 19946 199 1 . 1 1 44 44 VAL N N 44 123.933 123.933 122.113 1.820 19946 200 1 . 1 1 44 44 VAL HA H 44 3.821 3.821 3.772 0.049 19946 201 1 . 1 1 44 44 VAL CA C 44 64.752 64.752 66.189 -1.436 19946 202 1 . 1 1 44 44 VAL CB C 44 31.135 31.135 31.681 -0.546 19946 203 1 . 1 1 44 44 VAL H H 44 7.156 7.156 7.912 -0.756 19946 204 1 . 1 1 45 45 LEU N N 45 121.150 121.150 119.431 1.719 19946 205 1 . 1 1 45 45 LEU HA H 45 3.767 3.767 4.040 -0.273 19946 206 1 . 1 1 45 45 LEU CA C 45 56.599 56.599 57.856 -1.257 19946 207 1 . 1 1 45 45 LEU CB C 45 40.890 40.890 41.325 -0.435 19946 208 1 . 1 1 45 45 LEU H H 45 7.997 7.997 8.912 -0.914 19946 209 1 . 1 1 46 46 GLU N N 46 116.256 116.256 118.739 -2.483 19946 210 1 . 1 1 46 46 GLU HA H 46 3.678 3.678 4.219 -0.541 19946 211 1 . 1 1 46 46 GLU CA C 46 58.365 58.365 58.372 -0.007 19946 212 1 . 1 1 46 46 GLU CB C 46 29.622 29.622 29.952 -0.330 19946 213 1 . 1 1 46 46 GLU H H 46 8.501 8.501 8.181 0.320 19946 214 1 . 1 1 47 47 GLN N N 47 117.261 117.261 117.688 -0.427 19946 215 1 . 1 1 47 47 GLN HA H 47 4.216 4.216 4.179 0.037 19946 216 1 . 1 1 47 47 GLN CA C 47 56.852 56.852 58.084 -1.232 19946 217 1 . 1 1 47 47 GLN CB C 47 29.119 29.119 29.345 -0.227 19946 218 1 . 1 1 47 47 GLN H H 47 7.407 7.407 8.274 -0.867 19946 219 1 . 1 1 48 48 SER N N 48 111.890 111.890 112.491 -0.601 19946 220 1 . 1 1 48 48 SER HA H 48 4.641 4.641 4.500 0.141 19946 221 1 . 1 1 48 48 SER CA C 48 57.956 57.956 58.487 -0.531 19946 222 1 . 1 1 48 48 SER CB C 48 63.912 63.912 64.955 -1.043 19946 223 1 . 1 1 48 48 SER H H 48 8.566 8.566 8.314 0.252 19946 224 1 . 1 1 49 49 GLY N N 49 111.545 111.545 109.607 1.938 19946 225 1 . 1 1 49 49 GLY CA C 49 43.894 43.894 44.578 -0.684 19946 226 1 . 1 1 49 49 GLY H H 49 7.836 7.836 7.710 0.126 19946 227 1 . 1 1 50 50 LEU N N 50 121.541 121.541 123.378 -1.837 19946 228 1 . 1 1 50 50 LEU HA H 50 4.239 4.239 4.308 -0.069 19946 229 1 . 1 1 50 50 LEU CA C 50 51.985 51.985 54.360 -2.375 19946 230 1 . 1 1 50 50 LEU CB C 50 42.648 42.648 41.822 0.826 19946 231 1 . 1 1 50 50 LEU H H 50 8.564 8.564 8.391 0.173 19946 232 1 . 1 1 51 51 PRO HA H 51 4.243 4.243 4.558 -0.315 19946 233 1 . 1 1 51 51 PRO CB C 51 31.639 31.639 32.110 -0.471 19946 234 1 . 1 1 52 52 ALA N N 52 127.008 127.008 126.770 0.238 19946 235 1 . 1 1 52 52 ALA HA H 52 3.790 3.790 4.102 -0.312 19946 236 1 . 1 1 52 52 ALA CA C 52 54.835 54.835 54.755 0.080 19946 237 1 . 1 1 52 52 ALA CB C 52 17.715 17.715 18.605 -0.890 19946 238 1 . 1 1 52 52 ALA H H 52 8.564 8.564 8.578 -0.014 19946 239 1 . 1 1 53 53 LYS N N 53 114.535 114.535 116.049 -1.514 19946 240 1 . 1 1 53 53 LYS HA H 53 4.106 4.106 4.130 -0.024 19946 241 1 . 1 1 53 53 LYS CA C 53 56.852 56.852 58.127 -1.274 19946 242 1 . 1 1 53 53 LYS CB C 53 31.386 31.386 31.901 -0.515 19946 243 1 . 1 1 53 53 LYS H H 53 8.364 8.364 8.449 -0.085 19946 244 1 . 1 1 54 54 LEU N N 54 118.515 118.515 117.485 1.030 19946 245 1 . 1 1 54 54 LEU HA H 54 4.247 4.247 4.530 -0.283 19946 246 1 . 1 1 54 54 LEU CA C 54 53.338 53.338 53.715 -0.377 19946 247 1 . 1 1 54 54 LEU CB C 54 40.890 40.890 42.035 -1.145 19946 248 1 . 1 1 54 54 LEU H H 54 7.745 7.745 7.455 0.290 19946 249 1 . 1 1 55 55 ARG N N 55 117.612 117.612 121.044 -3.432 19946 250 1 . 1 1 55 55 ARG HA H 55 3.927 3.927 4.578 -0.651 19946 251 1 . 1 1 55 55 ARG CA C 55 56.832 56.832 55.488 1.344 19946 252 1 . 1 1 55 55 ARG CB C 55 28.610 28.610 32.233 -3.623 19946 253 1 . 1 1 55 55 ARG H H 55 6.938 6.938 7.924 -0.986 19946 254 1 . 1 1 56 56 HIS N N 56 123.269 123.269 122.212 1.057 19946 255 1 . 1 1 56 56 HIS HA H 56 4.614 4.614 4.740 -0.126 19946 256 1 . 1 1 56 56 HIS CA C 56 54.835 54.835 55.564 -0.729 19946 257 1 . 1 1 56 56 HIS CB C 56 32.648 32.648 31.988 0.660 19946 258 1 . 1 1 56 56 HIS H H 56 7.237 7.237 8.510 -1.273 19946 259 1 . 1 1 57 57 GLU N N 57 120.895 120.895 118.809 2.086 19946 260 1 . 1 1 57 57 GLU HA H 57 3.976 3.976 4.325 -0.349 19946 261 1 . 1 1 57 57 GLU CA C 57 58.871 58.871 57.749 1.122 19946 262 1 . 1 1 57 57 GLU CB C 57 29.158 29.158 30.870 -1.712 19946 263 1 . 1 1 57 57 GLU H H 57 7.625 7.625 8.588 -0.963 19946 264 1 . 1 1 58 58 GLN N N 58 118.485 118.485 115.579 2.906 19946 265 1 . 1 1 58 58 GLN HA H 58 5.425 5.425 5.027 0.399 19946 266 1 . 1 1 58 58 GLN CA C 58 54.910 54.910 54.637 0.273 19946 267 1 . 1 1 58 58 GLN CB C 58 32.285 32.285 30.802 1.482 19946 268 1 . 1 1 58 58 GLN H H 58 8.335 8.335 7.966 0.369 19946 269 1 . 1 1 59 59 ILE N N 59 123.505 123.505 119.771 3.734 19946 270 1 . 1 1 59 59 ILE HA H 59 4.492 4.492 4.874 -0.382 19946 271 1 . 1 1 59 59 ILE CA C 59 58.869 58.869 59.434 -0.565 19946 272 1 . 1 1 59 59 ILE CB C 59 42.332 42.332 41.062 1.270 19946 273 1 . 1 1 59 59 ILE H H 59 8.704 8.704 8.539 0.165 19946 274 1 . 1 1 60 60 ILE N N 60 126.464 126.464 119.992 6.472 19946 275 1 . 1 1 60 60 ILE HA H 60 4.954 4.954 4.675 0.279 19946 276 1 . 1 1 60 60 ILE CA C 60 57.357 57.357 59.452 -2.095 19946 277 1 . 1 1 60 60 ILE CB C 60 39.131 39.131 41.508 -2.377 19946 278 1 . 1 1 60 60 ILE H H 60 9.006 9.006 8.066 0.940 19946 279 1 . 1 1 61 61 PHE N N 61 124.441 124.441 122.417 2.024 19946 280 1 . 1 1 61 61 PHE HA H 61 5.795 5.795 5.111 0.684 19946 281 1 . 1 1 61 61 PHE CA C 61 56.131 56.131 56.683 -0.552 19946 282 1 . 1 1 61 61 PHE CB C 61 42.879 42.879 42.473 0.406 19946 283 1 . 1 1 61 61 PHE H H 61 8.938 8.938 8.307 0.631 19946 284 1 . 1 1 62 62 HIS N N 62 117.494 117.494 119.543 -2.049 19946 285 1 . 1 1 62 62 HIS HA H 62 5.928 5.928 5.012 0.916 19946 286 1 . 1 1 62 62 HIS CA C 62 53.322 53.322 55.628 -2.306 19946 287 1 . 1 1 62 62 HIS CB C 62 35.673 35.673 33.405 2.268 19946 288 1 . 1 1 62 62 HIS H H 62 9.230 9.230 8.306 0.924 19946 289 1 . 1 1 63 63 CYS N N 63 120.220 120.220 121.114 -0.894 19946 290 1 . 1 1 63 63 CYS HA H 63 5.033 5.033 4.450 0.583 19946 291 1 . 1 1 63 63 CYS CA C 63 56.131 56.131 59.347 -3.216 19946 292 1 . 1 1 63 63 CYS CB C 63 28.109 28.109 29.682 -1.573 19946 293 1 . 1 1 63 63 CYS H H 63 8.131 8.131 8.842 -0.711 19946 294 1 . 1 1 65 65 ALA N N 65 119.272 119.272 121.314 -2.042 19946 295 1 . 1 1 65 65 ALA HA H 65 5.063 5.063 4.570 0.493 19946 296 1 . 1 1 65 65 ALA CA C 65 49.793 49.793 51.842 -2.049 19946 297 1 . 1 1 65 65 ALA CB C 65 19.775 19.775 18.963 0.812 19946 298 1 . 1 1 65 65 ALA H H 65 8.967 8.967 7.954 1.013 19946 299 1 . 1 1 66 66 GLY N N 66 113.296 113.296 108.913 4.383 19946 300 1 . 1 1 66 66 GLY CA C 66 44.934 44.934 45.676 -0.743 19946 301 1 . 1 1 66 66 GLY H H 66 8.778 8.778 8.031 0.747 19946 302 1 . 1 1 67 67 LYS N N 67 121.300 121.300 120.682 0.618 19946 303 1 . 1 1 67 67 LYS HA H 67 4.211 4.211 4.188 0.023 19946 304 1 . 1 1 67 67 LYS H H 67 8.111 8.111 8.339 -0.228 19946 305 1 . 1 1 68 68 ARG N N 68 126.092 126.092 120.190 5.902 19946 306 1 . 1 1 68 68 ARG H H 68 9.067 9.067 8.425 0.642 19946 307 1 . 1 1 69 69 THR N N 69 117.153 117.153 113.645 3.508 19946 308 1 . 1 1 69 69 THR HA H 69 3.576 3.576 4.345 -0.769 19946 309 1 . 1 1 69 69 THR CA C 69 65.397 65.397 63.225 2.172 19946 310 1 . 1 1 69 69 THR CB C 69 66.938 66.938 69.202 -2.264 19946 311 1 . 1 1 69 69 THR H H 69 10.233 10.233 8.179 2.054 19946 312 1 . 1 1 70 70 SER N N 70 113.686 113.686 116.873 -3.187 19946 313 1 . 1 1 70 70 SER HA H 70 4.091 4.091 4.236 -0.145 19946 314 1 . 1 1 70 70 SER CA C 70 61.391 61.391 60.587 0.804 19946 315 1 . 1 1 70 70 SER CB C 70 65.425 65.425 62.814 2.611 19946 316 1 . 1 1 70 70 SER H H 70 7.322 7.322 8.342 -1.020 19946 317 1 . 1 1 71 71 ASN N N 71 118.257 118.257 118.897 -0.640 19946 318 1 . 1 1 71 71 ASN HA H 71 4.177 4.177 4.528 -0.351 19946 319 1 . 1 1 71 71 ASN CA C 71 54.736 54.736 55.283 -0.547 19946 320 1 . 1 1 71 71 ASN CB C 71 38.391 38.391 38.526 -0.135 19946 321 1 . 1 1 71 71 ASN H H 71 7.863 7.863 8.400 -0.537 19946 322 1 . 1 1 72 72 ASN N N 72 115.529 115.529 115.110 0.419 19946 323 1 . 1 1 72 72 ASN HA H 72 5.127 5.127 4.859 0.268 19946 324 1 . 1 1 72 72 ASN CA C 72 52.173 52.173 52.845 -0.672 19946 325 1 . 1 1 72 72 ASN CB C 72 39.165 39.165 38.481 0.684 19946 326 1 . 1 1 72 72 ASN H H 72 7.238 7.238 8.061 -0.823 19946 327 1 . 1 1 73 73 ALA N N 73 125.388 125.388 122.831 2.558 19946 328 1 . 1 1 73 73 ALA HA H 73 3.639 3.639 4.124 -0.485 19946 329 1 . 1 1 73 73 ALA CA C 73 56.133 56.133 54.359 1.774 19946 330 1 . 1 1 73 73 ALA CB C 73 18.528 18.528 19.240 -0.712 19946 331 1 . 1 1 73 73 ALA H H 73 7.081 7.081 7.630 -0.549 19946 332 1 . 1 1 74 74 ASP N N 74 115.501 115.501 119.216 -3.715 19946 333 1 . 1 1 74 74 ASP HA H 74 4.135 4.135 4.338 -0.203 19946 334 1 . 1 1 74 74 ASP CA C 74 55.891 55.891 57.332 -1.441 19946 335 1 . 1 1 74 74 ASP CB C 74 38.699 38.699 40.495 -1.796 19946 336 1 . 1 1 74 74 ASP H H 74 8.346 8.346 8.466 -0.120 19946 337 1 . 1 1 75 75 LYS N N 75 122.469 122.469 119.424 3.045 19946 338 1 . 1 1 75 75 LYS HA H 75 4.024 4.024 4.053 -0.029 19946 339 1 . 1 1 75 75 LYS CA C 75 57.861 57.861 58.884 -1.023 19946 340 1 . 1 1 75 75 LYS CB C 75 31.660 31.660 32.111 -0.451 19946 341 1 . 1 1 75 75 LYS H H 75 7.583 7.583 8.120 -0.537 19946 342 1 . 1 1 76 76 LEU N N 76 119.196 119.196 119.432 -0.236 19946 343 1 . 1 1 76 76 LEU HA H 76 3.570 3.570 3.887 -0.317 19946 344 1 . 1 1 76 76 LEU CA C 76 56.852 56.852 57.490 -0.638 19946 345 1 . 1 1 76 76 LEU CB C 76 39.245 39.245 41.525 -2.280 19946 346 1 . 1 1 76 76 LEU H H 76 8.069 8.069 7.559 0.510 19946 347 1 . 1 1 77 77 ALA N N 77 120.302 120.302 120.495 -0.193 19946 348 1 . 1 1 77 77 ALA HA H 77 3.985 3.985 3.951 0.034 19946 349 1 . 1 1 77 77 ALA CA C 77 53.794 53.794 54.101 -0.307 19946 350 1 . 1 1 77 77 ALA CB C 77 17.353 17.353 18.333 -0.980 19946 351 1 . 1 1 77 77 ALA H H 77 8.063 8.063 7.959 0.104 19946 352 1 . 1 1 78 78 ALA N N 78 119.602 119.602 118.818 0.784 19946 353 1 . 1 1 78 78 ALA HA H 78 4.138 4.138 4.266 -0.128 19946 354 1 . 1 1 78 78 ALA CA C 78 54.049 54.049 53.246 0.803 19946 355 1 . 1 1 78 78 ALA CB C 78 17.520 17.520 19.170 -1.650 19946 356 1 . 1 1 78 78 ALA H H 78 7.274 7.274 7.513 -0.239 19946 357 1 . 1 1 79 79 ILE N N 79 118.809 118.809 119.219 -0.410 19946 358 1 . 1 1 79 79 ILE HA H 79 3.798 3.798 3.832 -0.034 19946 359 1 . 1 1 79 79 ILE CA C 79 63.354 63.354 63.482 -0.128 19946 360 1 . 1 1 79 79 ILE CB C 79 38.422 38.422 38.859 -0.437 19946 361 1 . 1 1 79 79 ILE H H 79 8.170 8.170 7.880 0.290 19946 362 1 . 1 1 80 80 ALA N N 80 118.736 118.736 119.133 -0.397 19946 363 1 . 1 1 80 80 ALA HA H 80 4.412 4.412 4.572 -0.160 19946 364 1 . 1 1 80 80 ALA CA C 80 50.801 50.801 50.518 0.283 19946 365 1 . 1 1 80 80 ALA CB C 80 19.537 19.537 18.507 1.030 19946 366 1 . 1 1 80 80 ALA H H 80 7.857 7.857 7.576 0.281 19946 367 1 . 1 1 81 81 ALA N N 81 124.485 124.485 122.830 1.655 19946 368 1 . 1 1 81 81 ALA HA H 81 4.353 4.353 5.032 -0.679 19946 369 1 . 1 1 81 81 ALA CA C 81 51.305 51.305 49.454 1.851 19946 370 1 . 1 1 81 81 ALA CB C 81 16.511 16.511 18.956 -2.445 19946 371 1 . 1 1 81 81 ALA H H 81 7.191 7.191 7.344 -0.153 19946 372 1 . 1 1 82 82 PRO CA C 82 62.903 62.903 63.009 -0.106 19946 373 1 . 1 1 83 83 ALA N N 83 128.367 128.367 123.281 5.086 19946 374 1 . 1 1 83 83 ALA HA H 83 4.058 4.058 4.201 -0.143 19946 375 1 . 1 1 83 83 ALA CA C 83 52.314 52.314 52.516 -0.202 19946 376 1 . 1 1 83 83 ALA CB C 83 19.001 19.001 20.202 -1.201 19946 377 1 . 1 1 83 83 ALA H H 83 8.472 8.472 7.768 0.704 19946 378 1 . 1 1 84 84 GLU N N 84 122.108 122.108 121.593 0.515 19946 379 1 . 1 1 84 84 GLU HA H 84 4.164 4.164 4.477 -0.313 19946 380 1 . 1 1 84 84 GLU CA C 84 55.937 55.937 56.265 -0.328 19946 381 1 . 1 1 84 84 GLU CB C 84 30.213 30.213 30.502 -0.289 19946 382 1 . 1 1 84 84 GLU H H 84 8.106 8.106 8.201 -0.095 19946 383 1 . 1 1 85 85 ILE N N 85 122.808 122.808 121.353 1.455 19946 384 1 . 1 1 85 85 ILE HA H 85 5.211 5.211 4.817 0.393 19946 385 1 . 1 1 85 85 ILE CA C 85 58.365 58.365 58.992 -0.626 19946 386 1 . 1 1 85 85 ILE CB C 85 39.707 39.707 40.108 -0.401 19946 387 1 . 1 1 85 85 ILE H H 85 7.850 7.850 8.015 -0.166 19946 388 1 . 1 1 86 86 PHE N N 86 122.937 122.937 119.841 3.096 19946 389 1 . 1 1 86 86 PHE HA H 86 5.388 5.388 4.898 0.490 19946 390 1 . 1 1 86 86 PHE CA C 86 54.509 54.509 56.590 -2.081 19946 391 1 . 1 1 86 86 PHE CB C 86 42.878 42.878 42.871 0.007 19946 392 1 . 1 1 86 86 PHE H H 86 9.004 9.004 8.028 0.976 19946 393 1 . 1 1 87 87 LEU N N 87 120.712 120.712 118.586 2.126 19946 394 1 . 1 1 87 87 LEU HA H 87 5.295 5.295 5.002 0.293 19946 395 1 . 1 1 87 87 LEU CA C 87 51.810 51.810 53.559 -1.749 19946 396 1 . 1 1 87 87 LEU CB C 87 42.059 42.059 44.656 -2.598 19946 397 1 . 1 1 87 87 LEU H H 87 8.785 8.785 8.869 -0.084 19946 398 1 . 1 1 88 88 LEU N N 88 124.779 124.779 121.876 2.903 19946 399 1 . 1 1 88 88 LEU HA H 88 4.434 4.434 4.643 -0.209 19946 400 1 . 1 1 88 88 LEU CA C 88 54.331 54.331 53.703 0.628 19946 401 1 . 1 1 88 88 LEU CB C 88 42.648 42.648 43.103 -0.455 19946 402 1 . 1 1 88 88 LEU H H 88 8.243 8.243 8.270 -0.027 19946 403 1 . 1 1 89 89 GLU N N 89 112.478 112.478 124.755 -12.277 19946 404 1 . 1 1 89 89 GLU HA H 89 3.881 3.881 4.041 -0.160 19946 405 1 . 1 1 89 89 GLU H H 89 9.343 9.343 8.268 1.075 19946 406 1 . 1 1 90 90 ASP N N 90 120.709 120.709 120.335 0.374 19946 407 1 . 1 1 90 90 ASP HA H 90 4.168 4.168 4.550 -0.382 19946 408 1 . 1 1 90 90 ASP H H 90 9.062 9.062 8.303 0.759 19946 409 1 . 1 1 91 91 GLY N N 91 105.049 105.049 110.277 -5.228 19946 410 1 . 1 1 91 91 GLY CA C 91 46.263 46.263 45.673 0.590 19946 411 1 . 1 1 91 91 GLY H H 91 7.848 7.848 8.378 -0.530 19946 412 1 . 1 1 92 92 ILE N N 92 122.127 122.127 122.126 0.001 19946 413 1 . 1 1 92 92 ILE HA H 92 3.811 3.811 3.918 -0.107 19946 414 1 . 1 1 92 92 ILE CA C 92 62.656 62.656 63.560 -0.904 19946 415 1 . 1 1 92 92 ILE CB C 92 37.243 37.243 37.797 -0.554 19946 416 1 . 1 1 92 92 ILE H H 92 8.077 8.077 8.322 -0.245 19946 417 1 . 1 1 93 93 ASP N N 93 127.038 127.038 119.482 7.556 19946 418 1 . 1 1 93 93 ASP HA H 93 4.452 4.452 4.381 0.071 19946 419 1 . 1 1 93 93 ASP CA C 93 57.357 57.357 57.454 -0.097 19946 420 1 . 1 1 93 93 ASP CB C 93 38.194 38.194 40.081 -1.887 19946 421 1 . 1 1 93 93 ASP H H 93 9.094 9.094 8.477 0.617 19946 422 1 . 1 1 94 94 GLY N N 94 111.411 111.411 107.945 3.466 19946 423 1 . 1 1 94 94 GLY CA C 94 44.750 44.750 46.422 -1.672 19946 424 1 . 1 1 94 94 GLY H H 94 8.047 8.047 8.087 -0.040 19946 425 1 . 1 1 95 95 TRP N N 95 127.574 127.574 124.338 3.236 19946 426 1 . 1 1 95 95 TRP HA H 95 3.738 3.738 4.311 -0.573 19946 427 1 . 1 1 95 95 TRP CA C 95 60.852 60.852 59.031 1.821 19946 428 1 . 1 1 95 95 TRP CB C 95 28.613 28.613 29.696 -1.083 19946 429 1 . 1 1 95 95 TRP H H 95 7.918 7.918 8.360 -0.442 19946 430 1 . 1 1 96 96 LYS N N 96 117.374 117.374 119.114 -1.740 19946 431 1 . 1 1 96 96 LYS HA H 96 4.079 4.079 3.970 0.109 19946 432 1 . 1 1 96 96 LYS CA C 96 59.091 59.091 57.889 1.202 19946 433 1 . 1 1 96 96 LYS H H 96 8.625 8.625 8.440 0.185 19946 434 1 . 1 1 97 97 LYS N N 97 123.490 123.490 120.029 3.461 19946 435 1 . 1 1 97 97 LYS HA H 97 4.021 4.021 4.082 -0.061 19946 436 1 . 1 1 97 97 LYS CB C 97 31.542 31.542 32.376 -0.834 19946 437 1 . 1 1 97 97 LYS H H 97 8.233 8.233 8.012 0.221 19946 438 1 . 1 1 98 98 ALA N N 98 120.321 120.321 119.379 0.942 19946 439 1 . 1 1 98 98 ALA HA H 98 4.248 4.248 4.497 -0.249 19946 440 1 . 1 1 98 98 ALA CA C 98 51.305 51.305 51.199 0.106 19946 441 1 . 1 1 98 98 ALA CB C 98 17.744 17.744 18.975 -1.231 19946 442 1 . 1 1 98 98 ALA H H 98 7.480 7.480 7.397 0.083 19946 443 1 . 1 1 99 99 GLY N N 99 106.984 106.984 108.442 -1.459 19946 444 1 . 1 1 99 99 GLY CA C 99 44.246 44.246 45.829 -1.583 19946 445 1 . 1 1 99 99 GLY H H 99 7.867 7.867 8.106 -0.239 19946 446 1 . 1 1 100 100 LEU N N 100 122.993 122.993 120.271 2.722 19946 447 1 . 1 1 100 100 LEU HA H 100 4.277 4.277 4.382 -0.105 19946 448 1 . 1 1 100 100 LEU CA C 100 52.314 52.314 50.756 1.558 19946 449 1 . 1 1 100 100 LEU CB C 100 36.786 36.786 42.458 -5.672 19946 450 1 . 1 1 100 100 LEU H H 100 6.958 6.958 7.090 -0.132 19946 451 1 . 1 1 101 101 PRO HA H 101 4.492 4.492 4.555 -0.063 19946 452 1 . 1 1 101 101 PRO CB C 101 32.097 32.097 31.992 0.105 19946 453 1 . 1 1 102 102 VAL N N 102 111.514 111.514 116.114 -4.600 19946 454 1 . 1 1 102 102 VAL HA H 102 4.367 4.367 4.418 -0.051 19946 455 1 . 1 1 102 102 VAL CA C 102 58.869 58.869 60.427 -1.558 19946 456 1 . 1 1 102 102 VAL CB C 102 35.351 35.351 32.463 2.888 19946 457 1 . 1 1 102 102 VAL H H 102 7.988 7.988 8.265 -0.277 19946 458 1 . 1 1 103 103 ALA N N 103 126.676 126.676 123.005 3.671 19946 459 1 . 1 1 103 103 ALA HA H 103 4.524 4.524 4.382 0.143 19946 460 1 . 1 1 103 103 ALA CA C 103 49.793 49.793 51.767 -1.974 19946 461 1 . 1 1 103 103 ALA CB C 103 18.600 18.600 17.653 0.947 19946 462 1 . 1 1 103 103 ALA H H 103 8.919 8.919 8.229 0.690 19946 463 1 . 1 1 104 104 VAL N N 104 121.148 121.148 122.578 -1.430 19946 464 1 . 1 1 104 104 VAL HA H 104 4.475 4.475 4.344 0.131 19946 465 1 . 1 1 104 104 VAL CA C 104 59.374 59.374 60.636 -1.262 19946 466 1 . 1 1 104 104 VAL CB C 104 33.884 33.884 33.282 0.603 19946 467 1 . 1 1 104 104 VAL H H 104 8.241 8.241 7.764 0.477 19946 468 1 . 1 1 105 105 ASN N N 105 123.816 123.816 119.677 4.139 19946 469 1 . 1 1 105 105 ASN HA H 105 4.674 4.674 4.620 0.054 19946 470 1 . 1 1 105 105 ASN CA C 105 53.200 53.200 54.081 -0.882 19946 471 1 . 1 1 105 105 ASN CB C 105 37.959 37.959 38.396 -0.437 19946 472 1 . 1 1 105 105 ASN H H 105 8.150 8.150 8.465 -0.315 19946 473 1 . 1 1 106 106 LYS N N 106 123.804 123.804 121.984 1.820 19946 474 1 . 1 1 106 106 LYS H H 106 8.340 8.340 8.318 0.022 19946 stop_ save_