data_19036 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19036 _Entry.PDB_ID 2M55 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 19036 _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 ASP HA H 2 4.654 4.654 4.606 0.048 19036 2 1 1 . 1 1 2 2 ASP CA C 2 54.799 54.799 53.706 1.093 19036 3 1 1 . 1 1 2 2 ASP CB C 2 41.496 41.496 41.054 0.442 19036 4 1 1 . 1 1 3 3 GLN N N 3 119.900 119.900 120.414 -0.514 19036 5 1 1 . 1 1 3 3 GLN HA H 3 4.399 4.399 4.154 0.245 19036 6 1 1 . 1 1 3 3 GLN CA C 3 55.646 55.646 55.804 -0.158 19036 7 1 1 . 1 1 3 3 GLN CB C 3 29.996 29.996 29.567 0.429 19036 8 1 1 . 1 1 3 3 GLN H H 3 8.385 8.385 7.645 0.740 19036 9 1 1 . 1 1 4 4 LEU N N 4 123.270 123.270 127.012 -3.742 19036 10 1 1 . 1 1 4 4 LEU HA H 4 4.681 4.681 4.360 0.321 19036 11 1 1 . 1 1 4 4 LEU CA C 4 54.516 54.516 55.150 -0.634 19036 12 1 1 . 1 1 4 4 LEU CB C 4 43.666 43.666 42.865 0.801 19036 13 1 1 . 1 1 4 4 LEU H H 4 8.351 8.351 8.328 0.023 19036 14 1 1 . 1 1 5 5 THR N N 5 113.150 113.150 114.511 -1.361 19036 15 1 1 . 1 1 5 5 THR HA H 5 4.479 4.479 4.555 -0.076 19036 16 1 1 . 1 1 5 5 THR CA C 5 60.553 60.553 60.587 -0.034 19036 17 1 1 . 1 1 5 5 THR CB C 5 71.232 71.232 71.859 -0.627 19036 18 1 1 . 1 1 5 5 THR H H 5 8.764 8.764 8.086 0.678 19036 19 1 1 . 1 1 6 6 GLU N N 6 120.490 120.490 123.102 -2.612 19036 20 1 1 . 1 1 6 6 GLU HA H 6 3.994 3.994 4.029 -0.035 19036 21 1 1 . 1 1 6 6 GLU CA C 6 60.091 60.091 59.470 0.621 19036 22 1 1 . 1 1 6 6 GLU CB C 6 29.307 29.307 29.273 0.034 19036 23 1 1 . 1 1 6 6 GLU H H 6 9.066 9.066 9.046 0.020 19036 24 1 1 . 1 1 7 7 GLU N N 7 119.640 119.640 117.961 1.679 19036 25 1 1 . 1 1 7 7 GLU HA H 7 4.081 4.081 3.986 0.095 19036 26 1 1 . 1 1 7 7 GLU CA C 7 60.055 60.055 59.116 0.939 19036 27 1 1 . 1 1 7 7 GLU CB C 7 29.194 29.194 29.219 -0.025 19036 28 1 1 . 1 1 7 7 GLU H H 7 8.769 8.769 8.653 0.116 19036 29 1 1 . 1 1 8 8 GLN N N 8 120.420 120.420 118.722 1.698 19036 30 1 1 . 1 1 8 8 GLN HA H 8 3.857 3.857 3.971 -0.114 19036 31 1 1 . 1 1 8 8 GLN CA C 8 58.691 58.691 58.395 0.296 19036 32 1 1 . 1 1 8 8 GLN CB C 8 29.295 29.295 28.565 0.730 19036 33 1 1 . 1 1 8 8 GLN H H 8 7.779 7.779 7.461 0.318 19036 34 1 1 . 1 1 9 9 ILE N N 9 119.530 119.530 119.585 -0.055 19036 35 1 1 . 1 1 9 9 ILE HA H 9 3.699 3.699 3.604 0.095 19036 36 1 1 . 1 1 9 9 ILE CA C 9 66.284 66.284 64.721 1.563 19036 37 1 1 . 1 1 9 9 ILE CB C 9 37.882 37.882 37.759 0.123 19036 38 1 1 . 1 1 9 9 ILE H H 9 8.391 8.391 7.329 1.062 19036 39 1 1 . 1 1 10 10 ALA N N 10 121.270 121.270 121.911 -0.641 19036 40 1 1 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.868 0.272 19036 41 1 1 . 1 1 10 10 ALA CA C 10 55.569 55.569 55.249 0.320 19036 42 1 1 . 1 1 10 10 ALA CB C 10 17.977 17.977 17.936 0.041 19036 43 1 1 . 1 1 10 10 ALA H H 10 8.040 8.040 7.493 0.547 19036 44 1 1 . 1 1 11 11 GLU N N 11 119.830 119.830 119.234 0.596 19036 45 1 1 . 1 1 11 11 GLU HA H 11 4.159 4.159 4.011 0.148 19036 46 1 1 . 1 1 11 11 GLU CA C 11 59.438 59.438 59.097 0.341 19036 47 1 1 . 1 1 11 11 GLU CB C 11 29.098 29.098 29.435 -0.337 19036 48 1 1 . 1 1 11 11 GLU H H 11 7.841 7.841 7.468 0.373 19036 49 1 1 . 1 1 12 12 PHE N N 12 120.250 120.250 116.887 3.363 19036 50 1 1 . 1 1 12 12 PHE HA H 12 5.033 5.033 4.756 0.277 19036 51 1 1 . 1 1 12 12 PHE CA C 12 59.113 59.113 57.105 2.007 19036 52 1 1 . 1 1 12 12 PHE CB C 12 37.727 37.727 38.443 -0.716 19036 53 1 1 . 1 1 12 12 PHE H H 12 8.641 8.641 7.286 1.355 19036 54 1 1 . 1 1 13 13 LYS N N 13 123.680 123.680 121.874 1.806 19036 55 1 1 . 1 1 13 13 LYS HA H 13 4.038 4.038 4.053 -0.015 19036 56 1 1 . 1 1 13 13 LYS CA C 13 60.228 60.228 60.410 -0.182 19036 57 1 1 . 1 1 13 13 LYS CB C 13 32.020 32.020 32.210 -0.190 19036 58 1 1 . 1 1 13 13 LYS H H 13 9.273 9.273 8.231 1.042 19036 59 1 1 . 1 1 14 14 GLU N N 14 120.480 120.480 119.222 1.258 19036 60 1 1 . 1 1 14 14 GLU HA H 14 4.150 4.150 4.093 0.057 19036 61 1 1 . 1 1 14 14 GLU CA C 14 59.283 59.283 59.168 0.115 19036 62 1 1 . 1 1 14 14 GLU CB C 14 29.163 29.163 29.250 -0.087 19036 63 1 1 . 1 1 14 14 GLU H H 14 7.873 7.873 7.756 0.117 19036 64 1 1 . 1 1 15 15 ALA N N 15 122.590 122.590 122.277 0.313 19036 65 1 1 . 1 1 15 15 ALA HA H 15 4.285 4.285 4.137 0.148 19036 66 1 1 . 1 1 15 15 ALA CA C 15 55.370 55.370 55.058 0.312 19036 67 1 1 . 1 1 15 15 ALA CB C 15 18.190 18.190 18.531 -0.341 19036 68 1 1 . 1 1 15 15 ALA H H 15 8.045 8.045 7.677 0.368 19036 69 1 1 . 1 1 16 16 PHE N N 16 119.110 119.110 119.485 -0.375 19036 70 1 1 . 1 1 16 16 PHE HA H 16 3.314 3.314 3.915 -0.601 19036 71 1 1 . 1 1 16 16 PHE CA C 16 62.091 62.091 60.374 1.717 19036 72 1 1 . 1 1 16 16 PHE CB C 16 39.813 39.813 39.188 0.625 19036 73 1 1 . 1 1 16 16 PHE H H 16 8.804 8.804 8.323 0.481 19036 74 1 1 . 1 1 17 17 SER N N 17 113.200 113.200 114.183 -0.983 19036 75 1 1 . 1 1 17 17 SER HA H 17 4.139 4.139 3.946 0.193 19036 76 1 1 . 1 1 17 17 SER CA C 17 61.542 61.542 61.378 0.164 19036 77 1 1 . 1 1 17 17 SER CB C 17 63.424 63.424 63.068 0.356 19036 78 1 1 . 1 1 17 17 SER H H 17 8.083 8.083 8.026 0.057 19036 79 1 1 . 1 1 18 18 LEU N N 18 120.840 120.840 121.241 -0.401 19036 80 1 1 . 1 1 18 18 LEU HA H 18 3.981 3.981 3.976 0.005 19036 81 1 1 . 1 1 18 18 LEU CA C 18 57.258 57.258 57.572 -0.314 19036 82 1 1 . 1 1 18 18 LEU CB C 18 41.565 41.565 41.993 -0.428 19036 83 1 1 . 1 1 18 18 LEU H H 18 7.436 7.436 7.293 0.143 19036 84 1 1 . 1 1 19 19 PHE N N 19 114.020 114.020 115.374 -1.354 19036 85 1 1 . 1 1 19 19 PHE HA H 19 4.237 4.237 4.162 0.075 19036 86 1 1 . 1 1 19 19 PHE CA C 19 59.258 59.258 59.942 -0.684 19036 87 1 1 . 1 1 19 19 PHE CB C 19 41.732 41.732 39.017 2.715 19036 88 1 1 . 1 1 19 19 PHE H H 19 7.180 7.180 7.418 -0.238 19036 89 1 1 . 1 1 20 20 ASP N N 20 117.440 117.440 118.518 -1.078 19036 90 1 1 . 1 1 20 20 ASP HA H 20 4.579 4.579 4.582 -0.003 19036 91 1 1 . 1 1 20 20 ASP CA C 20 52.295 52.295 52.585 -0.290 19036 92 1 1 . 1 1 20 20 ASP CB C 20 39.167 39.167 39.280 -0.113 19036 93 1 1 . 1 1 20 20 ASP H H 20 7.844 7.844 7.452 0.392 19036 94 1 1 . 1 1 21 21 LYS N N 21 124.410 124.410 124.311 0.099 19036 95 1 1 . 1 1 21 21 LYS HA H 21 3.990 3.990 3.966 0.024 19036 96 1 1 . 1 1 21 21 LYS CA C 21 58.379 58.379 58.598 -0.219 19036 97 1 1 . 1 1 21 21 LYS CB C 21 32.623 32.623 32.428 0.195 19036 98 1 1 . 1 1 21 21 LYS H H 21 7.728 7.728 7.871 -0.143 19036 99 1 1 . 1 1 22 22 ASP N N 22 114.060 114.060 117.649 -3.589 19036 100 1 1 . 1 1 22 22 ASP HA H 22 4.625 4.625 4.470 0.155 19036 101 1 1 . 1 1 22 22 ASP CA C 22 52.921 52.921 55.800 -2.879 19036 102 1 1 . 1 1 22 22 ASP CB C 22 39.728 39.728 40.924 -1.196 19036 103 1 1 . 1 1 22 22 ASP H H 22 8.095 8.095 8.692 -0.597 19036 104 1 1 . 1 1 23 23 GLY N N 23 109.390 109.390 107.524 1.866 19036 105 1 1 . 1 1 23 23 GLY CA C 23 47.250 47.250 45.990 1.260 19036 106 1 1 . 1 1 23 23 GLY H H 23 7.717 7.717 7.876 -0.159 19036 107 1 1 . 1 1 24 24 ASP N N 24 120.860 120.860 120.706 0.154 19036 108 1 1 . 1 1 24 24 ASP HA H 24 4.564 4.564 4.616 -0.052 19036 109 1 1 . 1 1 24 24 ASP CA C 24 53.918 53.918 52.955 0.963 19036 110 1 1 . 1 1 24 24 ASP CB C 24 40.569 40.569 40.146 0.423 19036 111 1 1 . 1 1 24 24 ASP H H 24 8.472 8.472 8.074 0.398 19036 112 1 1 . 1 1 25 25 GLY N N 25 113.090 113.090 109.068 4.022 19036 113 1 1 . 1 1 25 25 GLY CA C 25 45.542 45.542 45.700 -0.158 19036 114 1 1 . 1 1 25 25 GLY H H 25 10.619 10.619 8.378 2.241 19036 115 1 1 . 1 1 26 26 THR N N 26 112.600 112.600 111.296 1.304 19036 116 1 1 . 1 1 26 26 THR HA H 26 5.391 5.391 5.281 0.110 19036 117 1 1 . 1 1 26 26 THR CA C 26 59.883 59.883 59.892 -0.009 19036 118 1 1 . 1 1 26 26 THR CB C 26 72.786 72.786 72.105 0.681 19036 119 1 1 . 1 1 26 26 THR H H 26 8.211 8.211 8.631 -0.420 19036 120 1 1 . 1 1 27 27 ILE N N 27 126.830 126.830 124.302 2.528 19036 121 1 1 . 1 1 27 27 ILE HA H 27 4.895 4.895 4.414 0.481 19036 122 1 1 . 1 1 27 27 ILE CA C 27 60.856 60.856 60.426 0.430 19036 123 1 1 . 1 1 27 27 ILE CB C 27 39.926 39.926 39.602 0.324 19036 124 1 1 . 1 1 27 27 ILE H H 27 9.876 9.876 8.470 1.406 19036 125 1 1 . 1 1 28 28 THR N N 28 116.500 116.500 117.599 -1.099 19036 126 1 1 . 1 1 28 28 THR HA H 28 4.811 4.811 4.988 -0.177 19036 127 1 1 . 1 1 28 28 THR CA C 28 59.216 59.216 59.699 -0.483 19036 128 1 1 . 1 1 28 28 THR CB C 28 72.541 72.541 71.221 1.320 19036 129 1 1 . 1 1 28 28 THR H H 28 8.439 8.439 9.111 -0.672 19036 130 1 1 . 1 1 29 29 THR N N 29 112.850 112.850 114.897 -2.047 19036 131 1 1 . 1 1 29 29 THR HA H 29 3.807 3.807 3.890 -0.083 19036 132 1 1 . 1 1 29 29 THR CA C 29 66.516 66.516 66.660 -0.144 19036 133 1 1 . 1 1 29 29 THR CB C 29 68.018 68.018 68.523 -0.505 19036 134 1 1 . 1 1 29 29 THR H H 29 9.238 9.238 9.012 0.226 19036 135 1 1 . 1 1 30 30 LYS N N 30 121.130 121.130 122.680 -1.550 19036 136 1 1 . 1 1 30 30 LYS HA H 30 4.170 4.170 3.978 0.192 19036 137 1 1 . 1 1 30 30 LYS CA C 30 59.377 59.377 59.611 -0.234 19036 138 1 1 . 1 1 30 30 LYS CB C 30 32.823 32.823 32.145 0.678 19036 139 1 1 . 1 1 30 30 LYS H H 30 7.688 7.688 8.284 -0.596 19036 140 1 1 . 1 1 31 31 GLU N N 31 121.920 121.920 119.688 2.232 19036 141 1 1 . 1 1 31 31 GLU HA H 31 4.062 4.062 4.036 0.026 19036 142 1 1 . 1 1 31 31 GLU CA C 31 59.579 59.579 59.422 0.157 19036 143 1 1 . 1 1 31 31 GLU CB C 31 29.837 29.837 29.680 0.157 19036 144 1 1 . 1 1 31 31 GLU H H 31 7.783 7.783 7.536 0.247 19036 145 1 1 . 1 1 32 32 LEU N N 32 120.570 120.570 120.871 -0.301 19036 146 1 1 . 1 1 32 32 LEU HA H 32 4.145 4.145 4.095 0.050 19036 147 1 1 . 1 1 32 32 LEU CA C 32 58.321 58.321 58.004 0.317 19036 148 1 1 . 1 1 32 32 LEU CB C 32 42.697 42.697 42.122 0.575 19036 149 1 1 . 1 1 32 32 LEU H H 32 8.705 8.705 8.116 0.589 19036 150 1 1 . 1 1 33 33 GLY N N 33 105.720 105.720 106.005 -0.285 19036 151 1 1 . 1 1 33 33 GLY H H 33 8.753 8.753 8.448 0.305 19036 152 1 1 . 1 1 34 34 THR N N 34 118.370 118.370 119.097 -0.727 19036 153 1 1 . 1 1 34 34 THR HA H 34 3.961 3.961 3.907 0.054 19036 154 1 1 . 1 1 34 34 THR CA C 34 67.097 67.097 67.315 -0.218 19036 155 1 1 . 1 1 34 34 THR CB C 34 68.869 68.869 68.712 0.157 19036 156 1 1 . 1 1 34 34 THR H H 34 8.071 8.071 7.898 0.173 19036 157 1 1 . 1 1 35 35 VAL N N 35 122.170 122.170 122.121 0.049 19036 158 1 1 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.771 -0.162 19036 159 1 1 . 1 1 35 35 VAL CA C 35 66.538 66.538 65.206 1.332 19036 160 1 1 . 1 1 35 35 VAL CB C 35 31.589 31.589 31.763 -0.174 19036 161 1 1 . 1 1 35 35 VAL H H 35 7.738 7.738 7.578 0.160 19036 162 1 1 . 1 1 36 36 MET N N 36 118.620 118.620 118.839 -0.219 19036 163 1 1 . 1 1 36 36 MET HA H 36 4.043 4.043 4.131 -0.088 19036 164 1 1 . 1 1 36 36 MET CA C 36 59.594 59.594 58.715 0.879 19036 165 1 1 . 1 1 36 36 MET CB C 36 31.850 31.850 32.426 -0.576 19036 166 1 1 . 1 1 36 36 MET H H 36 8.559 8.559 8.561 -0.002 19036 167 1 1 . 1 1 37 37 ARG N N 37 118.920 118.920 119.093 -0.173 19036 168 1 1 . 1 1 37 37 ARG HA H 37 4.798 4.798 4.199 0.599 19036 169 1 1 . 1 1 37 37 ARG CA C 37 59.518 59.518 59.460 0.058 19036 170 1 1 . 1 1 37 37 ARG CB C 37 30.189 30.189 30.017 0.172 19036 171 1 1 . 1 1 37 37 ARG H H 37 8.638 8.638 8.364 0.274 19036 172 1 1 . 1 1 38 38 SER N N 38 119.000 119.000 114.937 4.063 19036 173 1 1 . 1 1 38 38 SER HA H 38 4.420 4.420 4.183 0.237 19036 174 1 1 . 1 1 38 38 SER CA C 38 61.682 61.682 61.090 0.592 19036 175 1 1 . 1 1 38 38 SER CB C 38 62.890 62.890 62.850 0.040 19036 176 1 1 . 1 1 38 38 SER H H 38 7.994 7.994 7.739 0.255 19036 177 1 1 . 1 1 39 39 LEU N N 39 120.790 120.790 120.415 0.375 19036 178 1 1 . 1 1 39 39 LEU HA H 39 4.498 4.498 4.167 0.331 19036 179 1 1 . 1 1 39 39 LEU CA C 39 54.405 54.405 54.985 -0.580 19036 180 1 1 . 1 1 39 39 LEU CB C 39 41.979 41.979 41.579 0.400 19036 181 1 1 . 1 1 39 39 LEU H H 39 7.426 7.426 7.393 0.033 19036 182 1 1 . 1 1 40 40 GLY N N 40 106.830 106.830 107.790 -0.960 19036 183 1 1 . 1 1 40 40 GLY CA C 40 45.713 45.713 45.561 0.152 19036 184 1 1 . 1 1 40 40 GLY H H 40 7.896 7.896 7.716 0.180 19036 185 1 1 . 1 1 41 41 GLN N N 41 118.330 118.330 119.112 -0.782 19036 186 1 1 . 1 1 41 41 GLN HA H 41 4.503 4.503 4.566 -0.063 19036 187 1 1 . 1 1 41 41 GLN CA C 41 54.585 54.585 54.245 0.340 19036 188 1 1 . 1 1 41 41 GLN CB C 41 30.591 30.591 31.773 -1.182 19036 189 1 1 . 1 1 41 41 GLN H H 41 7.865 7.865 7.689 0.176 19036 190 1 1 . 1 1 42 42 ASN N N 42 116.490 116.490 117.508 -1.018 19036 191 1 1 . 1 1 42 42 ASN HA H 42 5.214 5.214 5.035 0.179 19036 192 1 1 . 1 1 42 42 ASN CA C 42 51.351 51.351 51.112 0.239 19036 193 1 1 . 1 1 42 42 ASN CB C 42 39.402 39.402 38.295 1.107 19036 194 1 1 . 1 1 42 42 ASN H H 42 8.771 8.771 8.518 0.253 19036 195 1 1 . 1 1 43 43 PRO HA H 43 4.779 4.779 4.705 0.074 19036 196 1 1 . 1 1 43 43 PRO CA C 43 62.475 62.475 62.886 -0.411 19036 197 1 1 . 1 1 43 43 PRO CB C 43 32.084 32.084 33.149 -1.065 19036 198 1 1 . 1 1 44 44 THR N N 44 113.050 113.050 113.505 -0.455 19036 199 1 1 . 1 1 44 44 THR HA H 44 4.487 4.487 4.540 -0.053 19036 200 1 1 . 1 1 44 44 THR CA C 44 60.565 60.565 59.817 0.748 19036 201 1 1 . 1 1 44 44 THR CB C 44 71.260 71.260 71.640 -0.380 19036 202 1 1 . 1 1 44 44 THR H H 44 8.808 8.808 8.292 0.516 19036 203 1 1 . 1 1 45 45 GLU N N 45 120.700 120.700 122.507 -1.807 19036 204 1 1 . 1 1 45 45 GLU HA H 45 4.001 4.001 4.022 -0.021 19036 205 1 1 . 1 1 45 45 GLU CA C 45 60.082 60.082 59.959 0.123 19036 206 1 1 . 1 1 45 45 GLU CB C 45 29.129 29.129 29.200 -0.071 19036 207 1 1 . 1 1 45 45 GLU H H 45 8.842 8.842 9.053 -0.211 19036 208 1 1 . 1 1 46 46 ALA N N 46 120.880 120.880 121.701 -0.821 19036 209 1 1 . 1 1 46 46 ALA HA H 46 4.125 4.125 4.167 -0.042 19036 210 1 1 . 1 1 46 46 ALA CA C 46 55.125 55.125 54.953 0.172 19036 211 1 1 . 1 1 46 46 ALA CB C 46 18.342 18.342 18.127 0.215 19036 212 1 1 . 1 1 46 46 ALA H H 46 8.305 8.305 8.301 0.004 19036 213 1 1 . 1 1 47 47 GLU N N 47 118.780 118.780 119.469 -0.689 19036 214 1 1 . 1 1 47 47 GLU HA H 47 4.040 4.040 4.075 -0.035 19036 215 1 1 . 1 1 47 47 GLU CA C 47 59.144 59.144 59.079 0.065 19036 216 1 1 . 1 1 47 47 GLU CB C 47 29.886 29.886 29.663 0.223 19036 217 1 1 . 1 1 47 47 GLU H H 47 7.736 7.736 7.595 0.141 19036 218 1 1 . 1 1 48 48 LEU N N 48 120.120 120.120 119.457 0.663 19036 219 1 1 . 1 1 48 48 LEU HA H 48 4.079 4.079 4.065 0.014 19036 220 1 1 . 1 1 48 48 LEU CA C 48 57.955 57.955 57.496 0.459 19036 221 1 1 . 1 1 48 48 LEU CB C 48 42.516 42.516 41.811 0.705 19036 222 1 1 . 1 1 48 48 LEU H H 48 8.169 8.169 7.745 0.424 19036 223 1 1 . 1 1 49 49 GLN N N 49 118.390 118.390 119.716 -1.326 19036 224 1 1 . 1 1 49 49 GLN HA H 49 3.849 3.849 3.911 -0.062 19036 225 1 1 . 1 1 49 49 GLN CA C 49 58.676 58.676 59.417 -0.741 19036 226 1 1 . 1 1 49 49 GLN CB C 49 28.341 28.341 28.128 0.213 19036 227 1 1 . 1 1 49 49 GLN H H 49 8.235 8.235 8.111 0.124 19036 228 1 1 . 1 1 50 50 ASP N N 50 120.090 120.090 120.016 0.074 19036 229 1 1 . 1 1 50 50 ASP HA H 50 4.439 4.439 4.380 0.059 19036 230 1 1 . 1 1 50 50 ASP CA C 50 57.643 57.643 56.988 0.655 19036 231 1 1 . 1 1 50 50 ASP CB C 50 40.366 40.366 40.645 -0.279 19036 232 1 1 . 1 1 50 50 ASP H H 50 8.164 8.164 7.674 0.490 19036 233 1 1 . 1 1 51 51 MET N N 51 119.330 119.330 118.933 0.397 19036 234 1 1 . 1 1 51 51 MET HA H 51 4.021 4.021 4.112 -0.091 19036 235 1 1 . 1 1 51 51 MET CA C 51 59.332 59.332 59.507 -0.175 19036 236 1 1 . 1 1 51 51 MET CB C 51 33.713 33.713 33.217 0.496 19036 237 1 1 . 1 1 51 51 MET H H 51 7.909 7.909 7.385 0.524 19036 238 1 1 . 1 1 52 52 ILE N N 52 118.080 118.080 118.927 -0.847 19036 239 1 1 . 1 1 52 52 ILE HA H 52 3.581 3.581 3.661 -0.080 19036 240 1 1 . 1 1 52 52 ILE CA C 52 64.476 64.476 64.549 -0.074 19036 241 1 1 . 1 1 52 52 ILE CB C 52 37.177 37.177 37.440 -0.263 19036 242 1 1 . 1 1 52 52 ILE H H 52 7.767 7.767 8.370 -0.603 19036 243 1 1 . 1 1 53 53 ASN N N 53 117.980 117.980 118.261 -0.281 19036 244 1 1 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.440 -0.023 19036 245 1 1 . 1 1 53 53 ASN CA C 53 55.988 55.988 56.021 -0.033 19036 246 1 1 . 1 1 53 53 ASN CB C 53 38.211 38.211 38.113 0.098 19036 247 1 1 . 1 1 53 53 ASN H H 53 8.669 8.669 8.612 0.057 19036 248 1 1 . 1 1 54 54 GLU N N 54 116.350 116.350 119.471 -3.121 19036 249 1 1 . 1 1 54 54 GLU HA H 54 4.066 4.066 4.129 -0.063 19036 250 1 1 . 1 1 54 54 GLU CA C 54 58.930 58.930 58.970 -0.040 19036 251 1 1 . 1 1 54 54 GLU CB C 54 30.404 30.404 29.713 0.691 19036 252 1 1 . 1 1 54 54 GLU H H 54 7.566 7.566 7.829 -0.263 19036 253 1 1 . 1 1 55 55 VAL N N 55 110.520 110.520 116.367 -5.847 19036 254 1 1 . 1 1 55 55 VAL HA H 55 4.366 4.366 4.176 0.190 19036 255 1 1 . 1 1 55 55 VAL CA C 55 61.089 61.089 60.875 0.214 19036 256 1 1 . 1 1 55 55 VAL CB C 55 33.088 33.088 32.524 0.564 19036 257 1 1 . 1 1 55 55 VAL H H 55 7.242 7.242 7.335 -0.093 19036 258 1 1 . 1 1 56 56 ASP N N 56 121.390 121.390 120.729 0.661 19036 259 1 1 . 1 1 56 56 ASP HA H 56 4.582 4.582 4.629 -0.047 19036 260 1 1 . 1 1 56 56 ASP CA C 56 53.916 53.916 54.050 -0.134 19036 261 1 1 . 1 1 56 56 ASP CB C 56 40.588 40.588 40.532 0.056 19036 262 1 1 . 1 1 56 56 ASP H H 56 7.749 7.749 7.446 0.303 19036 263 1 1 . 1 1 57 57 ALA N N 57 131.640 131.640 130.218 1.422 19036 264 1 1 . 1 1 57 57 ALA HA H 57 4.247 4.247 4.252 -0.005 19036 265 1 1 . 1 1 57 57 ALA CA C 57 54.341 54.341 53.502 0.839 19036 266 1 1 . 1 1 57 57 ALA CB C 57 19.800 19.800 19.979 -0.179 19036 267 1 1 . 1 1 57 57 ALA H H 57 8.323 8.323 8.080 0.243 19036 268 1 1 . 1 1 58 58 ASP N N 58 114.000 114.000 116.348 -2.348 19036 269 1 1 . 1 1 58 58 ASP HA H 58 4.682 4.682 4.621 0.061 19036 270 1 1 . 1 1 58 58 ASP CA C 58 52.705 52.705 53.136 -0.431 19036 271 1 1 . 1 1 58 58 ASP CB C 58 39.931 39.931 40.549 -0.618 19036 272 1 1 . 1 1 58 58 ASP H H 58 8.240 8.240 7.967 0.273 19036 273 1 1 . 1 1 59 59 GLY N N 59 108.660 108.660 108.537 0.123 19036 274 1 1 . 1 1 59 59 GLY CA C 59 47.306 47.306 46.096 1.210 19036 275 1 1 . 1 1 59 59 GLY H H 59 7.635 7.635 8.550 -0.915 19036 276 1 1 . 1 1 60 60 ASN N N 60 118.730 118.730 118.917 -0.187 19036 277 1 1 . 1 1 60 60 ASN HA H 60 4.658 4.658 4.691 -0.033 19036 278 1 1 . 1 1 60 60 ASN CA C 60 52.805 52.805 52.185 0.620 19036 279 1 1 . 1 1 60 60 ASN CB C 60 37.716 37.716 38.709 -0.993 19036 280 1 1 . 1 1 60 60 ASN H H 60 8.184 8.184 9.166 -0.982 19036 281 1 1 . 1 1 61 61 GLY N N 61 113.430 113.430 110.181 3.249 19036 282 1 1 . 1 1 61 61 GLY CA C 61 45.753 45.753 46.278 -0.525 19036 283 1 1 . 1 1 61 61 GLY H H 61 10.605 10.605 8.974 1.631 19036 284 1 1 . 1 1 62 62 THR N N 62 108.750 108.750 109.940 -1.190 19036 285 1 1 . 1 1 62 62 THR HA H 62 4.874 4.874 4.915 -0.041 19036 286 1 1 . 1 1 62 62 THR CA C 62 59.541 59.541 59.712 -0.171 19036 287 1 1 . 1 1 62 62 THR CB C 62 72.168 72.168 72.347 -0.180 19036 288 1 1 . 1 1 62 62 THR H H 62 7.699 7.699 8.306 -0.607 19036 289 1 1 . 1 1 63 63 ILE N N 63 123.510 123.510 123.223 0.287 19036 290 1 1 . 1 1 63 63 ILE HA H 63 5.160 5.160 4.643 0.517 19036 291 1 1 . 1 1 63 63 ILE CA C 63 59.959 59.959 60.441 -0.482 19036 292 1 1 . 1 1 63 63 ILE CB C 63 39.836 39.836 39.481 0.354 19036 293 1 1 . 1 1 63 63 ILE H H 63 8.823 8.823 8.112 0.711 19036 294 1 1 . 1 1 64 64 ASP N N 64 128.370 128.370 128.161 0.209 19036 295 1 1 . 1 1 64 64 ASP HA H 64 5.463 5.463 5.116 0.347 19036 296 1 1 . 1 1 64 64 ASP CA C 64 52.257 52.257 53.413 -1.156 19036 297 1 1 . 1 1 64 64 ASP CB C 64 42.416 42.416 42.432 -0.016 19036 298 1 1 . 1 1 64 64 ASP H H 64 8.946 8.946 8.264 0.682 19036 299 1 1 . 1 1 65 65 PHE N N 65 118.870 118.870 123.769 -4.899 19036 300 1 1 . 1 1 65 65 PHE HA H 65 4.028 4.028 3.736 0.292 19036 301 1 1 . 1 1 65 65 PHE CA C 65 63.404 63.404 62.535 0.869 19036 302 1 1 . 1 1 65 65 PHE CB C 65 36.123 36.123 36.716 -0.593 19036 303 1 1 . 1 1 65 65 PHE H H 65 9.000 9.000 8.537 0.463 19036 304 1 1 . 1 1 66 66 PRO HA H 66 3.918 3.918 3.580 0.338 19036 305 1 1 . 1 1 66 66 PRO CA C 66 66.799 66.799 65.680 1.120 19036 306 1 1 . 1 1 66 66 PRO CB C 66 30.789 30.789 30.733 0.056 19036 307 1 1 . 1 1 67 67 GLU N N 67 117.930 117.930 119.106 -1.176 19036 308 1 1 . 1 1 67 67 GLU HA H 67 4.088 4.088 3.965 0.123 19036 309 1 1 . 1 1 67 67 GLU CA C 67 58.965 58.965 59.230 -0.265 19036 310 1 1 . 1 1 67 67 GLU CB C 67 29.677 29.677 29.209 0.468 19036 311 1 1 . 1 1 67 67 GLU H H 67 8.185 8.185 7.688 0.497 19036 312 1 1 . 1 1 68 68 PHE N N 68 123.830 123.830 121.292 2.538 19036 313 1 1 . 1 1 68 68 PHE HA H 68 3.957 3.957 4.192 -0.235 19036 314 1 1 . 1 1 68 68 PHE CA C 68 61.439 61.439 60.702 0.737 19036 315 1 1 . 1 1 68 68 PHE CB C 68 40.429 40.429 39.052 1.377 19036 316 1 1 . 1 1 68 68 PHE H H 68 8.794 8.794 8.156 0.638 19036 317 1 1 . 1 1 69 69 LEU N N 69 119.410 119.410 119.621 -0.211 19036 318 1 1 . 1 1 69 69 LEU HA H 69 3.394 3.394 3.381 0.013 19036 319 1 1 . 1 1 69 69 LEU CA C 69 58.042 58.042 57.788 0.254 19036 320 1 1 . 1 1 69 69 LEU CB C 69 41.246 41.246 41.217 0.029 19036 321 1 1 . 1 1 69 69 LEU H H 69 8.662 8.662 7.979 0.683 19036 322 1 1 . 1 1 70 70 THR N N 70 115.700 115.700 115.524 0.176 19036 323 1 1 . 1 1 70 70 THR HA H 70 3.783 3.783 3.705 0.078 19036 324 1 1 . 1 1 70 70 THR CA C 70 66.623 66.623 66.907 -0.284 19036 325 1 1 . 1 1 70 70 THR CB C 70 68.592 68.592 68.532 0.060 19036 326 1 1 . 1 1 70 70 THR H H 70 7.744 7.744 7.580 0.164 19036 327 1 1 . 1 1 71 71 MET N N 71 121.350 121.350 121.415 -0.065 19036 328 1 1 . 1 1 71 71 MET HA H 71 3.889 3.889 3.875 0.014 19036 329 1 1 . 1 1 71 71 MET CA C 71 58.859 58.859 59.328 -0.468 19036 330 1 1 . 1 1 71 71 MET CB C 71 32.676 32.676 32.502 0.174 19036 331 1 1 . 1 1 71 71 MET H H 71 7.622 7.622 7.277 0.345 19036 332 1 1 . 1 1 72 72 MET N N 72 117.390 117.390 116.258 1.132 19036 333 1 1 . 1 1 72 72 MET HA H 72 3.973 3.973 3.967 0.006 19036 334 1 1 . 1 1 72 72 MET CA C 72 56.030 56.030 57.349 -1.319 19036 335 1 1 . 1 1 72 72 MET CB C 72 30.934 30.934 31.200 -0.266 19036 336 1 1 . 1 1 72 72 MET H H 72 8.066 8.066 7.445 0.621 19036 337 1 1 . 1 1 73 73 ALA N N 73 121.670 121.670 121.119 0.551 19036 338 1 1 . 1 1 73 73 ALA HA H 73 4.103 4.103 4.198 -0.095 19036 339 1 1 . 1 1 73 73 ALA CA C 73 54.517 54.517 53.702 0.815 19036 340 1 1 . 1 1 73 73 ALA CB C 73 18.381 18.381 18.610 -0.229 19036 341 1 1 . 1 1 73 73 ALA H H 73 8.276 8.276 7.684 0.592 19036 342 1 1 . 1 1 74 74 ARG N N 74 117.220 117.220 118.975 -1.755 19036 343 1 1 . 1 1 74 74 ARG HA H 74 4.113 4.113 3.907 0.206 19036 344 1 1 . 1 1 74 74 ARG CA C 74 58.327 58.327 59.098 -0.771 19036 345 1 1 . 1 1 74 74 ARG CB C 74 30.378 30.378 29.812 0.566 19036 346 1 1 . 1 1 74 74 ARG H H 74 7.539 7.539 8.243 -0.704 19036 347 1 1 . 1 1 75 75 LYS N N 75 119.120 119.120 119.743 -0.623 19036 348 1 1 . 1 1 75 75 LYS HA H 75 4.261 4.261 4.009 0.252 19036 349 1 1 . 1 1 75 75 LYS CA C 75 56.990 56.990 59.116 -2.126 19036 350 1 1 . 1 1 75 75 LYS CB C 75 32.412 32.412 31.912 0.500 19036 351 1 1 . 1 1 75 75 LYS H H 75 7.833 7.833 7.337 0.496 19036 352 1 1 . 1 1 76 76 MET N N 76 118.860 118.860 118.290 0.570 19036 353 1 1 . 1 1 76 76 MET HA H 76 4.370 4.370 4.251 0.119 19036 354 1 1 . 1 1 76 76 MET CA C 76 56.700 56.700 57.838 -1.138 19036 355 1 1 . 1 1 76 76 MET CB C 76 32.981 32.981 32.463 0.518 19036 356 1 1 . 1 1 76 76 MET H H 76 8.000 8.000 7.900 0.100 19036 357 1 1 . 1 1 77 77 LYS N N 77 120.200 120.200 116.712 3.488 19036 358 1 1 . 1 1 77 77 LYS HA H 77 4.352 4.352 4.245 0.107 19036 359 1 1 . 1 1 77 77 LYS CA C 77 56.709 56.709 56.314 0.395 19036 360 1 1 . 1 1 77 77 LYS CB C 77 33.138 33.138 32.508 0.630 19036 361 1 1 . 1 1 77 77 LYS H H 77 7.866 7.866 7.659 0.207 19036 362 1 1 . 1 1 78 78 ASP N N 78 121.430 121.430 117.233 4.197 19036 363 1 1 . 1 1 78 78 ASP HA H 78 4.691 4.691 4.360 0.331 19036 364 1 1 . 1 1 78 78 ASP CA C 78 54.771 54.771 55.495 -0.724 19036 365 1 1 . 1 1 78 78 ASP CB C 78 41.222 41.222 39.121 2.101 19036 366 1 1 . 1 1 78 78 ASP H H 78 8.250 8.250 8.102 0.148 19036 367 1 1 . 1 1 79 79 THR N N 79 114.390 114.390 111.701 2.689 19036 368 1 1 . 1 1 79 79 THR HA H 79 4.337 4.337 4.223 0.114 19036 369 1 1 . 1 1 79 79 THR CA C 79 62.349 62.349 64.926 -2.577 19036 370 1 1 . 1 1 79 79 THR CB C 79 69.875 69.875 69.247 0.628 19036 371 1 1 . 1 1 79 79 THR H H 79 8.093 8.093 7.580 0.513 19036 372 1 1 . 1 1 80 80 ASP N N 80 123.460 123.460 121.405 2.055 19036 373 1 1 . 1 1 80 80 ASP HA H 80 4.721 4.721 4.657 0.064 19036 374 1 1 . 1 1 80 80 ASP CA C 80 54.655 54.655 55.892 -1.237 19036 375 1 1 . 1 1 80 80 ASP CB C 80 41.416 41.416 40.261 1.155 19036 376 1 1 . 1 1 80 80 ASP H H 80 8.455 8.455 8.645 -0.190 19036 377 1 1 . 1 1 81 81 SER N N 81 117.440 117.440 115.938 1.502 19036 378 1 1 . 1 1 81 81 SER HA H 81 4.455 4.455 4.076 0.379 19036 379 1 1 . 1 1 81 81 SER CA C 81 59.571 59.571 62.404 -2.833 19036 380 1 1 . 1 1 81 81 SER CB C 81 63.825 63.825 62.916 0.909 19036 381 1 1 . 1 1 81 81 SER H H 81 8.505 8.505 8.687 -0.182 19036 382 1 1 . 1 1 82 82 GLU N N 82 122.380 122.380 121.006 1.374 19036 383 1 1 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.039 0.146 19036 384 1 1 . 1 1 82 82 GLU CA C 82 58.800 58.800 59.514 -0.714 19036 385 1 1 . 1 1 82 82 GLU CB C 82 29.660 29.660 29.234 0.426 19036 386 1 1 . 1 1 82 82 GLU H H 82 8.508 8.508 8.131 0.377 19036 387 1 1 . 1 1 83 83 GLU N N 83 119.670 119.670 119.374 0.296 19036 388 1 1 . 1 1 83 83 GLU HA H 83 4.085 4.085 4.056 0.029 19036 389 1 1 . 1 1 83 83 GLU CA C 83 59.576 59.576 59.203 0.373 19036 390 1 1 . 1 1 83 83 GLU CB C 83 29.410 29.410 29.545 -0.135 19036 391 1 1 . 1 1 83 83 GLU H H 83 8.297 8.297 8.034 0.263 19036 392 1 1 . 1 1 84 84 GLU N N 84 118.700 118.700 120.642 -1.942 19036 393 1 1 . 1 1 84 84 GLU HA H 84 4.135 4.135 4.228 -0.093 19036 394 1 1 . 1 1 84 84 GLU CA C 84 59.523 59.523 58.724 0.799 19036 395 1 1 . 1 1 84 84 GLU CB C 84 29.607 29.607 29.290 0.318 19036 396 1 1 . 1 1 84 84 GLU H H 84 8.218 8.218 7.989 0.229 19036 397 1 1 . 1 1 85 85 ILE N N 85 121.500 121.500 120.486 1.014 19036 398 1 1 . 1 1 85 85 ILE HA H 85 3.981 3.981 3.736 0.245 19036 399 1 1 . 1 1 85 85 ILE CA C 85 64.941 64.941 65.530 -0.589 19036 400 1 1 . 1 1 85 85 ILE CB C 85 37.484 37.484 37.811 -0.327 19036 401 1 1 . 1 1 85 85 ILE H H 85 7.980 7.980 8.551 -0.571 19036 402 1 1 . 1 1 86 86 ARG N N 86 121.710 121.710 118.388 3.322 19036 403 1 1 . 1 1 86 86 ARG HA H 86 4.186 4.186 4.284 -0.098 19036 404 1 1 . 1 1 86 86 ARG CA C 86 60.202 60.202 59.641 0.561 19036 405 1 1 . 1 1 86 86 ARG CB C 86 30.026 30.026 30.178 -0.152 19036 406 1 1 . 1 1 86 86 ARG H H 86 8.471 8.471 8.005 0.466 19036 407 1 1 . 1 1 87 87 GLU N N 87 118.710 118.710 120.078 -1.368 19036 408 1 1 . 1 1 87 87 GLU HA H 87 4.179 4.179 4.157 0.022 19036 409 1 1 . 1 1 87 87 GLU CA C 87 58.995 58.995 59.155 -0.160 19036 410 1 1 . 1 1 87 87 GLU CB C 87 29.201 29.201 29.825 -0.624 19036 411 1 1 . 1 1 87 87 GLU H H 87 8.211 8.211 8.300 -0.089 19036 412 1 1 . 1 1 88 88 ALA N N 88 121.910 121.910 122.313 -0.403 19036 413 1 1 . 1 1 88 88 ALA HA H 88 4.180 4.180 4.185 -0.005 19036 414 1 1 . 1 1 88 88 ALA CA C 88 55.275 55.275 55.337 -0.062 19036 415 1 1 . 1 1 88 88 ALA CB C 88 17.936 17.936 18.569 -0.633 19036 416 1 1 . 1 1 88 88 ALA H H 88 8.037 8.037 8.779 -0.742 19036 417 1 1 . 1 1 89 89 PHE N N 89 118.790 118.790 118.649 0.141 19036 418 1 1 . 1 1 89 89 PHE HA H 89 3.188 3.188 3.826 -0.638 19036 419 1 1 . 1 1 89 89 PHE CA C 89 62.283 62.283 61.431 0.852 19036 420 1 1 . 1 1 89 89 PHE CB C 89 39.238 39.238 38.974 0.264 19036 421 1 1 . 1 1 89 89 PHE H H 89 8.623 8.623 8.006 0.617 19036 422 1 1 . 1 1 90 90 ARG N N 90 115.890 115.890 118.230 -2.340 19036 423 1 1 . 1 1 90 90 ARG HA H 90 3.906 3.906 4.173 -0.267 19036 424 1 1 . 1 1 90 90 ARG CA C 90 58.950 58.950 59.460 -0.510 19036 425 1 1 . 1 1 90 90 ARG CB C 90 30.414 30.414 30.176 0.238 19036 426 1 1 . 1 1 90 90 ARG H H 90 7.775 7.775 7.869 -0.094 19036 427 1 1 . 1 1 91 91 VAL N N 91 118.320 118.320 117.489 0.831 19036 428 1 1 . 1 1 91 91 VAL HA H 91 3.515 3.515 3.756 -0.241 19036 429 1 1 . 1 1 91 91 VAL CA C 91 65.726 65.726 64.866 0.860 19036 430 1 1 . 1 1 91 91 VAL CB C 91 31.579 31.579 31.943 -0.364 19036 431 1 1 . 1 1 91 91 VAL H H 91 7.538 7.538 7.241 0.297 19036 432 1 1 . 1 1 92 92 PHE N N 92 115.750 115.750 117.108 -1.358 19036 433 1 1 . 1 1 92 92 PHE HA H 92 4.247 4.247 4.153 0.094 19036 434 1 1 . 1 1 92 92 PHE CA C 92 60.241 60.241 60.727 -0.485 19036 435 1 1 . 1 1 92 92 PHE CB C 92 40.951 40.951 39.119 1.832 19036 436 1 1 . 1 1 92 92 PHE H H 92 7.381 7.381 8.057 -0.676 19036 437 1 1 . 1 1 93 93 ASP N N 93 116.590 116.590 117.924 -1.334 19036 438 1 1 . 1 1 93 93 ASP HA H 93 4.590 4.590 4.765 -0.175 19036 439 1 1 . 1 1 93 93 ASP CA C 93 52.466 52.466 52.714 -0.248 19036 440 1 1 . 1 1 93 93 ASP CB C 93 38.478 38.478 39.447 -0.969 19036 441 1 1 . 1 1 93 93 ASP H H 93 7.900 7.900 7.958 -0.058 19036 442 1 1 . 1 1 94 94 LYS N N 94 126.160 126.160 124.501 1.659 19036 443 1 1 . 1 1 94 94 LYS HA H 94 3.945 3.945 4.034 -0.089 19036 444 1 1 . 1 1 94 94 LYS CA C 94 59.072 59.072 58.534 0.538 19036 445 1 1 . 1 1 94 94 LYS CB C 94 32.589 32.589 32.637 -0.048 19036 446 1 1 . 1 1 94 94 LYS H H 94 7.790 7.790 7.962 -0.172 19036 447 1 1 . 1 1 95 95 ASP N N 95 114.060 114.060 117.197 -3.137 19036 448 1 1 . 1 1 95 95 ASP HA H 95 4.579 4.579 4.513 0.066 19036 449 1 1 . 1 1 95 95 ASP CA C 95 53.120 53.120 56.082 -2.962 19036 450 1 1 . 1 1 95 95 ASP CB C 95 40.043 40.043 41.189 -1.146 19036 451 1 1 . 1 1 95 95 ASP H H 95 8.237 8.237 9.302 -1.065 19036 452 1 1 . 1 1 96 96 GLY N N 96 109.410 109.410 106.940 2.470 19036 453 1 1 . 1 1 96 96 GLY CA C 96 47.263 47.263 46.243 1.020 19036 454 1 1 . 1 1 96 96 GLY H H 96 7.839 7.839 8.764 -0.925 19036 455 1 1 . 1 1 97 97 ASN N N 97 119.630 119.630 120.168 -0.538 19036 456 1 1 . 1 1 97 97 ASN HA H 97 4.659 4.659 4.652 0.007 19036 457 1 1 . 1 1 97 97 ASN CA C 97 52.681 52.681 52.788 -0.107 19036 458 1 1 . 1 1 97 97 ASN CB C 97 38.311 38.311 38.575 -0.264 19036 459 1 1 . 1 1 97 97 ASN H H 97 8.377 8.377 8.153 0.224 19036 460 1 1 . 1 1 98 98 GLY N N 98 112.970 112.970 107.544 5.426 19036 461 1 1 . 1 1 98 98 GLY CA C 98 45.183 45.183 45.528 -0.345 19036 462 1 1 . 1 1 98 98 GLY H H 98 10.687 10.687 8.551 2.136 19036 463 1 1 . 1 1 99 99 TYR N N 99 116.080 116.080 118.808 -2.728 19036 464 1 1 . 1 1 99 99 TYR HA H 99 5.065 5.065 5.364 -0.299 19036 465 1 1 . 1 1 99 99 TYR CA C 99 56.198 56.198 56.833 -0.635 19036 466 1 1 . 1 1 99 99 TYR CB C 99 43.110 43.110 41.801 1.309 19036 467 1 1 . 1 1 99 99 TYR H H 99 7.671 7.671 8.022 -0.351 19036 468 1 1 . 1 1 100 100 ILE N N 100 127.320 127.320 124.417 2.903 19036 469 1 1 . 1 1 100 100 ILE HA H 100 4.780 4.780 4.581 0.199 19036 470 1 1 . 1 1 100 100 ILE CA C 100 60.731 60.731 60.606 0.124 19036 471 1 1 . 1 1 100 100 ILE CB C 100 39.050 39.050 38.907 0.143 19036 472 1 1 . 1 1 100 100 ILE H H 100 10.163 10.163 8.782 1.381 19036 473 1 1 . 1 1 101 101 SER N N 101 123.810 123.810 123.315 0.495 19036 474 1 1 . 1 1 101 101 SER HA H 101 4.898 4.898 4.772 0.126 19036 475 1 1 . 1 1 101 101 SER CA C 101 55.840 55.840 56.617 -0.777 19036 476 1 1 . 1 1 101 101 SER CB C 101 66.799 66.799 65.649 1.150 19036 477 1 1 . 1 1 101 101 SER H H 101 8.970 8.970 8.022 0.948 19036 478 1 1 . 1 1 102 102 ALA N N 102 123.130 123.130 124.228 -1.098 19036 479 1 1 . 1 1 102 102 ALA HA H 102 3.927 3.927 4.131 -0.204 19036 480 1 1 . 1 1 102 102 ALA CA C 102 56.023 56.023 55.079 0.944 19036 481 1 1 . 1 1 102 102 ALA CB C 102 18.139 18.139 18.367 -0.228 19036 482 1 1 . 1 1 102 102 ALA H H 102 9.269 9.269 8.838 0.431 19036 483 1 1 . 1 1 103 103 ALA N N 103 118.460 118.460 120.473 -2.013 19036 484 1 1 . 1 1 103 103 ALA HA H 103 4.058 4.058 4.139 -0.081 19036 485 1 1 . 1 1 103 103 ALA CA C 103 55.250 55.250 54.625 0.625 19036 486 1 1 . 1 1 103 103 ALA CB C 103 18.492 18.492 18.067 0.425 19036 487 1 1 . 1 1 103 103 ALA H H 103 8.294 8.294 8.276 0.018 19036 488 1 1 . 1 1 104 104 GLU N N 104 120.070 120.070 119.757 0.313 19036 489 1 1 . 1 1 104 104 GLU HA H 104 4.073 4.073 4.044 0.029 19036 490 1 1 . 1 1 104 104 GLU CA C 104 59.567 59.567 58.961 0.606 19036 491 1 1 . 1 1 104 104 GLU CB C 104 29.262 29.262 29.661 -0.399 19036 492 1 1 . 1 1 104 104 GLU H H 104 7.939 7.939 7.615 0.324 19036 493 1 1 . 1 1 105 105 LEU N N 105 120.990 120.990 120.211 0.779 19036 494 1 1 . 1 1 105 105 LEU HA H 105 4.133 4.133 4.097 0.036 19036 495 1 1 . 1 1 105 105 LEU CA C 105 58.618 58.618 57.745 0.873 19036 496 1 1 . 1 1 105 105 LEU CB C 105 42.210 42.210 42.001 0.209 19036 497 1 1 . 1 1 105 105 LEU H H 105 8.534 8.534 7.541 0.993 19036 498 1 1 . 1 1 106 106 ARG N N 106 117.580 117.580 117.466 0.114 19036 499 1 1 . 1 1 106 106 ARG HA H 106 3.832 3.832 4.035 -0.203 19036 500 1 1 . 1 1 106 106 ARG CA C 106 60.041 60.041 59.383 0.658 19036 501 1 1 . 1 1 106 106 ARG CB C 106 30.648 30.648 29.816 0.832 19036 502 1 1 . 1 1 106 106 ARG H H 106 8.667 8.667 7.538 1.129 19036 503 1 1 . 1 1 107 107 HIS N N 107 118.880 118.880 119.328 -0.448 19036 504 1 1 . 1 1 107 107 HIS HA H 107 4.338 4.338 4.292 0.046 19036 505 1 1 . 1 1 107 107 HIS CA C 107 59.771 59.771 59.488 0.283 19036 506 1 1 . 1 1 107 107 HIS CB C 107 30.491 30.491 29.216 1.275 19036 507 1 1 . 1 1 107 107 HIS H H 107 8.071 8.071 7.654 0.417 19036 508 1 1 . 1 1 108 108 VAL N N 108 119.170 119.170 118.513 0.657 19036 509 1 1 . 1 1 108 108 VAL HA H 108 3.556 3.556 3.239 0.317 19036 510 1 1 . 1 1 108 108 VAL CA C 108 66.580 66.580 66.241 0.339 19036 511 1 1 . 1 1 108 108 VAL CB C 108 31.920 31.920 31.124 0.796 19036 512 1 1 . 1 1 108 108 VAL H H 108 8.107 8.107 7.375 0.732 19036 513 1 1 . 1 1 109 109 MET N N 109 116.290 116.290 117.957 -1.667 19036 514 1 1 . 1 1 109 109 MET HA H 109 4.326 4.326 4.126 0.200 19036 515 1 1 . 1 1 109 109 MET CA C 109 57.824 57.824 59.390 -1.566 19036 516 1 1 . 1 1 109 109 MET CB C 109 31.052 31.052 32.612 -1.560 19036 517 1 1 . 1 1 109 109 MET H H 109 8.280 8.280 7.497 0.783 19036 518 1 1 . 1 1 110 110 THR N N 110 115.190 115.190 117.000 -1.810 19036 519 1 1 . 1 1 110 110 THR HA H 110 4.166 4.166 4.162 0.004 19036 520 1 1 . 1 1 110 110 THR CA C 110 66.182 66.182 67.023 -0.841 19036 521 1 1 . 1 1 110 110 THR CB C 110 68.951 68.951 68.646 0.305 19036 522 1 1 . 1 1 110 110 THR H H 110 8.244 8.244 8.118 0.126 19036 523 1 1 . 1 1 111 111 ASN N N 111 122.310 122.310 119.860 2.450 19036 524 1 1 . 1 1 111 111 ASN HA H 111 4.502 4.502 4.518 -0.016 19036 525 1 1 . 1 1 111 111 ASN CA C 111 55.931 55.931 55.592 0.339 19036 526 1 1 . 1 1 111 111 ASN CB C 111 38.585 38.585 38.175 0.410 19036 527 1 1 . 1 1 111 111 ASN H H 111 7.904 7.904 7.860 0.044 19036 528 1 1 . 1 1 112 112 LEU N N 112 118.850 118.850 118.076 0.774 19036 529 1 1 . 1 1 112 112 LEU HA H 112 4.354 4.354 4.560 -0.206 19036 530 1 1 . 1 1 112 112 LEU CA C 112 55.274 55.274 54.390 0.884 19036 531 1 1 . 1 1 112 112 LEU CB C 112 42.218 42.218 41.648 0.570 19036 532 1 1 . 1 1 112 112 LEU H H 112 7.873 7.873 7.226 0.647 19036 533 1 1 . 1 1 113 113 GLY N N 113 106.700 106.700 108.033 -1.333 19036 534 1 1 . 1 1 113 113 GLY CA C 113 45.596 45.596 45.447 0.149 19036 535 1 1 . 1 1 113 113 GLY H H 113 7.844 7.844 7.882 -0.038 19036 536 1 1 . 1 1 114 114 GLU N N 114 120.140 120.140 120.774 -0.634 19036 537 1 1 . 1 1 114 114 GLU HA H 114 4.459 4.459 4.566 -0.107 19036 538 1 1 . 1 1 114 114 GLU CA C 114 55.046 55.046 55.420 -0.374 19036 539 1 1 . 1 1 114 114 GLU CB C 114 30.469 30.469 32.311 -1.842 19036 540 1 1 . 1 1 114 114 GLU H H 114 7.946 7.946 8.142 -0.196 19036 541 1 1 . 1 1 115 115 LYS N N 115 124.130 124.130 122.678 1.452 19036 542 1 1 . 1 1 115 115 LYS HA H 115 4.394 4.394 4.525 -0.131 19036 543 1 1 . 1 1 115 115 LYS CA C 115 55.794 55.794 56.446 -0.652 19036 544 1 1 . 1 1 115 115 LYS CB C 115 32.191 32.191 33.834 -1.643 19036 545 1 1 . 1 1 115 115 LYS H H 115 8.646 8.646 8.451 0.195 19036 546 1 1 . 1 1 116 116 LEU N N 116 124.840 124.840 125.381 -0.541 19036 547 1 1 . 1 1 116 116 LEU HA H 116 4.793 4.793 4.856 -0.063 19036 548 1 1 . 1 1 116 116 LEU CA C 116 54.127 54.127 52.952 1.175 19036 549 1 1 . 1 1 116 116 LEU CB C 116 44.934 44.934 44.090 0.844 19036 550 1 1 . 1 1 116 116 LEU H H 116 8.097 8.097 8.295 -0.198 19036 551 1 1 . 1 1 117 117 THR N N 117 114.690 114.690 110.492 4.198 19036 552 1 1 . 1 1 117 117 THR HA H 117 4.492 4.492 4.498 -0.006 19036 553 1 1 . 1 1 117 117 THR CA C 117 60.751 60.751 60.794 -0.043 19036 554 1 1 . 1 1 117 117 THR CB C 117 71.303 71.303 70.974 0.329 19036 555 1 1 . 1 1 117 117 THR H H 117 9.252 9.252 7.902 1.350 19036 556 1 1 . 1 1 118 118 ASP N N 118 121.130 121.130 122.554 -1.424 19036 557 1 1 . 1 1 118 118 ASP HA H 118 4.232 4.232 4.276 -0.044 19036 558 1 1 . 1 1 118 118 ASP CA C 118 58.080 58.080 57.338 0.742 19036 559 1 1 . 1 1 118 118 ASP CB C 118 39.870 39.870 40.638 -0.768 19036 560 1 1 . 1 1 118 118 ASP H H 118 8.936 8.936 8.901 0.035 19036 561 1 1 . 1 1 119 119 GLU N N 119 119.110 119.110 119.392 -0.282 19036 562 1 1 . 1 1 119 119 GLU HA H 119 4.117 4.117 4.075 0.042 19036 563 1 1 . 1 1 119 119 GLU CA C 119 60.043 60.043 59.469 0.574 19036 564 1 1 . 1 1 119 119 GLU CB C 119 29.135 29.135 29.327 -0.192 19036 565 1 1 . 1 1 119 119 GLU H H 119 8.715 8.715 8.671 0.044 19036 566 1 1 . 1 1 120 120 GLU N N 120 120.680 120.680 119.070 1.610 19036 567 1 1 . 1 1 120 120 GLU HA H 120 4.062 4.062 4.097 -0.035 19036 568 1 1 . 1 1 120 120 GLU CA C 120 59.138 59.138 59.240 -0.102 19036 569 1 1 . 1 1 120 120 GLU CB C 120 30.420 30.420 29.518 0.902 19036 570 1 1 . 1 1 120 120 GLU H H 120 7.809 7.809 7.606 0.203 19036 571 1 1 . 1 1 121 121 VAL N N 121 120.660 120.660 119.863 0.797 19036 572 1 1 . 1 1 121 121 VAL HA H 121 3.637 3.637 3.793 -0.156 19036 573 1 1 . 1 1 121 121 VAL CA C 121 67.003 67.003 65.675 1.328 19036 574 1 1 . 1 1 121 121 VAL CB C 121 31.463 31.463 31.226 0.237 19036 575 1 1 . 1 1 121 121 VAL H H 121 8.079 8.079 8.044 0.035 19036 576 1 1 . 1 1 122 122 ASP N N 122 119.590 119.590 120.550 -0.960 19036 577 1 1 . 1 1 122 122 ASP HA H 122 4.349 4.349 4.336 0.013 19036 578 1 1 . 1 1 122 122 ASP CA C 122 57.718 57.718 57.827 -0.109 19036 579 1 1 . 1 1 122 122 ASP CB C 122 40.593 40.593 40.832 -0.239 19036 580 1 1 . 1 1 122 122 ASP H H 122 8.124 8.124 8.648 -0.524 19036 581 1 1 . 1 1 123 123 GLU N N 123 119.760 119.760 119.650 0.110 19036 582 1 1 . 1 1 123 123 GLU HA H 123 4.051 4.051 3.975 0.076 19036 583 1 1 . 1 1 123 123 GLU CA C 123 59.144 59.144 59.151 -0.007 19036 584 1 1 . 1 1 123 123 GLU CB C 123 29.161 29.161 29.675 -0.514 19036 585 1 1 . 1 1 123 123 GLU H H 123 8.034 8.034 8.292 -0.258 19036 586 1 1 . 1 1 124 124 MET N N 124 119.580 119.580 120.769 -1.189 19036 587 1 1 . 1 1 124 124 MET HA H 124 4.024 4.024 4.100 -0.076 19036 588 1 1 . 1 1 124 124 MET CA C 124 59.353 59.353 59.364 -0.011 19036 589 1 1 . 1 1 124 124 MET CB C 124 33.497 33.497 32.846 0.651 19036 590 1 1 . 1 1 124 124 MET H H 124 7.871 7.871 7.750 0.121 19036 591 1 1 . 1 1 125 125 ILE N N 125 118.210 118.210 118.950 -0.740 19036 592 1 1 . 1 1 125 125 ILE HA H 125 3.524 3.524 3.663 -0.139 19036 593 1 1 . 1 1 125 125 ILE CA C 125 63.855 63.855 65.013 -1.158 19036 594 1 1 . 1 1 125 125 ILE CB C 125 36.457 36.457 37.064 -0.607 19036 595 1 1 . 1 1 125 125 ILE H H 125 7.953 7.953 7.921 0.032 19036 596 1 1 . 1 1 126 126 ARG N N 126 118.420 118.420 119.937 -1.517 19036 597 1 1 . 1 1 126 126 ARG HA H 126 4.038 4.038 3.920 0.118 19036 598 1 1 . 1 1 126 126 ARG CA C 126 59.809 59.809 59.605 0.204 19036 599 1 1 . 1 1 126 126 ARG CB C 126 30.311 30.311 30.286 0.025 19036 600 1 1 . 1 1 126 126 ARG H H 126 8.228 8.228 7.862 0.366 19036 601 1 1 . 1 1 127 127 GLU N N 127 115.830 115.830 117.721 -1.891 19036 602 1 1 . 1 1 127 127 GLU HA H 127 4.026 4.026 4.142 -0.116 19036 603 1 1 . 1 1 127 127 GLU CA C 127 58.489 58.489 58.683 -0.194 19036 604 1 1 . 1 1 127 127 GLU CB C 127 29.435 29.435 29.984 -0.549 19036 605 1 1 . 1 1 127 127 GLU H H 127 7.950 7.950 7.971 -0.021 19036 606 1 1 . 1 1 128 128 ALA N N 128 119.010 119.010 119.519 -0.509 19036 607 1 1 . 1 1 128 128 ALA HA H 128 4.444 4.444 4.219 0.225 19036 608 1 1 . 1 1 128 128 ALA CA C 128 52.125 52.125 52.879 -0.754 19036 609 1 1 . 1 1 128 128 ALA CB C 128 21.322 21.322 19.389 1.933 19036 610 1 1 . 1 1 128 128 ALA H H 128 7.386 7.386 7.553 -0.167 19036 611 1 1 . 1 1 129 129 ASP N N 129 117.790 117.790 119.035 -1.245 19036 612 1 1 . 1 1 129 129 ASP HA H 129 4.516 4.516 4.587 -0.071 19036 613 1 1 . 1 1 129 129 ASP CA C 129 54.190 54.190 54.573 -0.383 19036 614 1 1 . 1 1 129 129 ASP CB C 129 40.587 40.587 39.945 0.642 19036 615 1 1 . 1 1 129 129 ASP H H 129 7.913 7.913 7.694 0.219 19036 616 1 1 . 1 1 130 130 ILE N N 130 127.770 127.770 125.095 2.675 19036 617 1 1 . 1 1 130 130 ILE HA H 130 3.938 3.938 4.057 -0.119 19036 618 1 1 . 1 1 130 130 ILE CA C 130 63.431 63.431 62.799 0.632 19036 619 1 1 . 1 1 130 130 ILE CB C 130 38.748 38.748 38.548 0.200 19036 620 1 1 . 1 1 130 130 ILE H H 130 8.332 8.332 8.736 -0.404 19036 621 1 1 . 1 1 131 131 ASP N N 131 116.680 116.680 119.459 -2.779 19036 622 1 1 . 1 1 131 131 ASP HA H 131 4.493 4.493 4.508 -0.015 19036 623 1 1 . 1 1 131 131 ASP CA C 131 53.734 53.734 54.621 -0.887 19036 624 1 1 . 1 1 131 131 ASP CB C 131 40.062 40.062 41.294 -1.232 19036 625 1 1 . 1 1 131 131 ASP H H 131 8.371 8.371 9.142 -0.771 19036 626 1 1 . 1 1 132 132 GLY N N 132 108.680 108.680 108.940 -0.260 19036 627 1 1 . 1 1 132 132 GLY CA C 132 47.587 47.587 45.388 2.199 19036 628 1 1 . 1 1 132 132 GLY H H 132 7.636 7.636 8.170 -0.534 19036 629 1 1 . 1 1 133 133 ASP N N 133 120.930 120.930 120.772 0.158 19036 630 1 1 . 1 1 133 133 ASP HA H 133 4.530 4.530 4.559 -0.029 19036 631 1 1 . 1 1 133 133 ASP CA C 133 53.845 53.845 53.558 0.287 19036 632 1 1 . 1 1 133 133 ASP CB C 133 40.322 40.322 40.794 -0.472 19036 633 1 1 . 1 1 133 133 ASP H H 133 8.378 8.378 8.692 -0.314 19036 634 1 1 . 1 1 134 134 GLY N N 134 112.990 112.990 108.236 4.754 19036 635 1 1 . 1 1 134 134 GLY CA C 134 45.855 45.855 45.424 0.431 19036 636 1 1 . 1 1 134 134 GLY H H 134 10.401 10.401 7.988 2.413 19036 637 1 1 . 1 1 135 135 GLN N N 135 115.490 115.490 117.574 -2.084 19036 638 1 1 . 1 1 135 135 GLN HA H 135 4.887 4.887 4.699 0.188 19036 639 1 1 . 1 1 135 135 GLN CA C 135 53.289 53.289 54.043 -0.754 19036 640 1 1 . 1 1 135 135 GLN CB C 135 32.515 32.515 32.736 -0.221 19036 641 1 1 . 1 1 135 135 GLN H H 135 8.007 8.007 8.508 -0.501 19036 642 1 1 . 1 1 136 136 VAL N N 136 125.480 125.480 122.511 2.969 19036 643 1 1 . 1 1 136 136 VAL HA H 136 5.213 5.213 4.795 0.418 19036 644 1 1 . 1 1 136 136 VAL CA C 136 61.784 61.784 61.020 0.764 19036 645 1 1 . 1 1 136 136 VAL CB C 136 33.839 33.839 31.799 2.040 19036 646 1 1 . 1 1 136 136 VAL H H 136 9.167 9.167 8.023 1.144 19036 647 1 1 . 1 1 137 137 ASN N N 137 129.140 129.140 125.834 3.306 19036 648 1 1 . 1 1 137 137 ASN HA H 137 5.288 5.288 5.285 0.003 19036 649 1 1 . 1 1 137 137 ASN CA C 137 51.176 51.176 50.502 0.674 19036 650 1 1 . 1 1 137 137 ASN CB C 137 38.446 38.446 40.087 -1.641 19036 651 1 1 . 1 1 137 137 ASN H H 137 9.576 9.576 8.168 1.408 19036 652 1 1 . 1 1 138 138 TYR N N 138 118.600 118.600 120.970 -2.370 19036 653 1 1 . 1 1 138 138 TYR HA H 138 3.456 3.456 3.988 -0.532 19036 654 1 1 . 1 1 138 138 TYR CA C 138 62.842 62.842 63.667 -0.825 19036 655 1 1 . 1 1 138 138 TYR CB C 138 37.805 37.805 38.127 -0.321 19036 656 1 1 . 1 1 138 138 TYR H H 138 8.464 8.464 8.733 -0.269 19036 657 1 1 . 1 1 139 139 GLU N N 139 118.470 118.470 118.965 -0.495 19036 658 1 1 . 1 1 139 139 GLU HA H 139 3.686 3.686 3.904 -0.218 19036 659 1 1 . 1 1 139 139 GLU CA C 139 60.456 60.456 60.496 -0.040 19036 660 1 1 . 1 1 139 139 GLU CB C 139 29.008 29.008 29.073 -0.065 19036 661 1 1 . 1 1 139 139 GLU H H 139 8.152 8.152 8.932 -0.780 19036 662 1 1 . 1 1 140 140 GLU N N 140 119.970 119.970 119.902 0.068 19036 663 1 1 . 1 1 140 140 GLU HA H 140 4.025 4.025 4.104 -0.079 19036 664 1 1 . 1 1 140 140 GLU CA C 140 58.655 58.655 59.037 -0.382 19036 665 1 1 . 1 1 140 140 GLU CB C 140 29.868 29.868 29.449 0.419 19036 666 1 1 . 1 1 140 140 GLU H H 140 8.815 8.815 8.229 0.586 19036 667 1 1 . 1 1 141 141 PHE N N 141 124.860 124.860 121.666 3.194 19036 668 1 1 . 1 1 141 141 PHE HA H 141 4.000 4.000 4.226 -0.226 19036 669 1 1 . 1 1 141 141 PHE CA C 141 61.733 61.733 61.407 0.326 19036 670 1 1 . 1 1 141 141 PHE CB C 141 40.089 40.089 39.191 0.898 19036 671 1 1 . 1 1 141 141 PHE H H 141 8.927 8.927 8.678 0.249 19036 672 1 1 . 1 1 142 142 VAL N N 142 119.400 119.400 118.954 0.446 19036 673 1 1 . 1 1 142 142 VAL HA H 142 3.152 3.152 3.371 -0.219 19036 674 1 1 . 1 1 142 142 VAL CA C 142 67.139 67.139 67.027 0.112 19036 675 1 1 . 1 1 142 142 VAL CB C 142 31.622 31.622 31.787 -0.165 19036 676 1 1 . 1 1 142 142 VAL H H 142 8.635 8.635 8.682 -0.047 19036 677 1 1 . 1 1 143 143 GLN N N 143 118.420 118.420 119.384 -0.964 19036 678 1 1 . 1 1 143 143 GLN HA H 143 3.902 3.902 4.048 -0.146 19036 679 1 1 . 1 1 143 143 GLN CA C 143 58.894 58.894 58.224 0.670 19036 680 1 1 . 1 1 143 143 GLN CB C 143 28.186 28.186 28.460 -0.274 19036 681 1 1 . 1 1 143 143 GLN H H 143 7.516 7.516 7.964 -0.448 19036 682 1 1 . 1 1 144 144 MET N N 144 119.410 119.410 117.609 1.801 19036 683 1 1 . 1 1 144 144 MET HA H 144 4.113 4.113 4.180 -0.067 19036 684 1 1 . 1 1 144 144 MET CA C 144 58.360 58.360 58.197 0.163 19036 685 1 1 . 1 1 144 144 MET CB C 144 33.188 33.188 32.923 0.265 19036 686 1 1 . 1 1 144 144 MET H H 144 7.867 7.867 8.300 -0.433 19036 687 1 1 . 1 1 145 145 MET N N 145 114.770 114.770 113.334 1.436 19036 688 1 1 . 1 1 145 145 MET HA H 145 4.263 4.263 4.395 -0.132 19036 689 1 1 . 1 1 145 145 MET CA C 145 55.607 55.607 55.325 0.282 19036 690 1 1 . 1 1 145 145 MET CB C 145 32.224 32.224 32.374 -0.150 19036 691 1 1 . 1 1 145 145 MET H H 145 7.796 7.796 7.396 0.400 19036 692 1 1 . 1 1 146 146 THR N N 146 111.500 111.500 117.211 -5.711 19036 693 1 1 . 1 1 146 146 THR HA H 146 4.325 4.325 4.284 0.041 19036 694 1 1 . 1 1 146 146 THR CA C 146 62.420 62.420 62.078 0.342 19036 695 1 1 . 1 1 146 146 THR CB C 146 70.327 70.327 66.478 3.849 19036 696 1 1 . 1 1 146 146 THR H H 146 7.591 7.591 7.551 0.040 19036 697 1 1 . 1 1 147 147 ALA N N 147 127.110 127.110 124.275 2.835 19036 698 1 1 . 1 1 147 147 ALA HA H 147 4.319 4.319 4.632 -0.313 19036 699 1 1 . 1 1 147 147 ALA CA C 147 52.991 52.991 51.108 1.883 19036 700 1 1 . 1 1 147 147 ALA CB C 147 19.162 19.162 20.872 -1.710 19036 701 1 1 . 1 1 147 147 ALA H H 147 7.827 7.827 7.654 0.173 19036 702 1 2 . 1 1 2 2 ASP HA H 2 4.654 4.654 4.641 0.013 19036 703 1 2 . 1 1 2 2 ASP CA C 2 54.799 54.799 54.801 -0.002 19036 704 1 2 . 1 1 2 2 ASP CB C 2 41.496 41.496 40.982 0.514 19036 705 1 2 . 1 1 3 3 GLN N N 3 119.900 119.900 117.657 2.243 19036 706 1 2 . 1 1 3 3 GLN HA H 3 4.399 4.399 4.165 0.234 19036 707 1 2 . 1 1 3 3 GLN CA C 3 55.646 55.646 56.951 -1.305 19036 708 1 2 . 1 1 3 3 GLN CB C 3 29.996 29.996 28.996 1.000 19036 709 1 2 . 1 1 3 3 GLN H H 3 8.385 8.385 8.268 0.117 19036 710 1 2 . 1 1 4 4 LEU N N 4 123.270 123.270 119.460 3.810 19036 711 1 2 . 1 1 4 4 LEU HA H 4 4.681 4.681 4.613 0.068 19036 712 1 2 . 1 1 4 4 LEU CA C 4 54.516 54.516 54.286 0.230 19036 713 1 2 . 1 1 4 4 LEU CB C 4 43.666 43.666 44.187 -0.521 19036 714 1 2 . 1 1 4 4 LEU H H 4 8.351 8.351 7.700 0.651 19036 715 1 2 . 1 1 5 5 THR N N 5 113.150 113.150 112.307 0.843 19036 716 1 2 . 1 1 5 5 THR HA H 5 4.479 4.479 4.540 -0.061 19036 717 1 2 . 1 1 5 5 THR CA C 5 60.553 60.553 59.988 0.565 19036 718 1 2 . 1 1 5 5 THR CB C 5 71.232 71.232 71.576 -0.344 19036 719 1 2 . 1 1 5 5 THR H H 5 8.764 8.764 8.198 0.566 19036 720 1 2 . 1 1 6 6 GLU N N 6 120.490 120.490 122.835 -2.345 19036 721 1 2 . 1 1 6 6 GLU HA H 6 3.994 3.994 3.977 0.017 19036 722 1 2 . 1 1 6 6 GLU CA C 6 60.091 60.091 59.642 0.449 19036 723 1 2 . 1 1 6 6 GLU CB C 6 29.307 29.307 29.358 -0.051 19036 724 1 2 . 1 1 6 6 GLU H H 6 9.066 9.066 9.010 0.056 19036 725 1 2 . 1 1 7 7 GLU N N 7 119.640 119.640 118.051 1.589 19036 726 1 2 . 1 1 7 7 GLU HA H 7 4.081 4.081 4.032 0.049 19036 727 1 2 . 1 1 7 7 GLU CA C 7 60.055 60.055 59.296 0.759 19036 728 1 2 . 1 1 7 7 GLU CB C 7 29.194 29.194 28.950 0.244 19036 729 1 2 . 1 1 7 7 GLU H H 7 8.769 8.769 8.684 0.085 19036 730 1 2 . 1 1 8 8 GLN N N 8 120.420 120.420 119.416 1.004 19036 731 1 2 . 1 1 8 8 GLN HA H 8 3.857 3.857 4.009 -0.152 19036 732 1 2 . 1 1 8 8 GLN CA C 8 58.691 58.691 58.578 0.114 19036 733 1 2 . 1 1 8 8 GLN CB C 8 29.295 29.295 28.253 1.042 19036 734 1 2 . 1 1 8 8 GLN H H 8 7.779 7.779 7.484 0.295 19036 735 1 2 . 1 1 9 9 ILE N N 9 119.530 119.530 119.258 0.272 19036 736 1 2 . 1 1 9 9 ILE HA H 9 3.699 3.699 3.578 0.121 19036 737 1 2 . 1 1 9 9 ILE CA C 9 66.284 66.284 64.583 1.701 19036 738 1 2 . 1 1 9 9 ILE CB C 9 37.882 37.882 37.819 0.063 19036 739 1 2 . 1 1 9 9 ILE H H 9 8.391 8.391 7.368 1.023 19036 740 1 2 . 1 1 10 10 ALA N N 10 121.270 121.270 121.875 -0.605 19036 741 1 2 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.861 0.279 19036 742 1 2 . 1 1 10 10 ALA CA C 10 55.569 55.569 55.210 0.359 19036 743 1 2 . 1 1 10 10 ALA CB C 10 17.977 17.977 17.936 0.042 19036 744 1 2 . 1 1 10 10 ALA H H 10 8.040 8.040 7.482 0.558 19036 745 1 2 . 1 1 11 11 GLU N N 11 119.830 119.830 118.682 1.148 19036 746 1 2 . 1 1 11 11 GLU HA H 11 4.159 4.159 4.003 0.156 19036 747 1 2 . 1 1 11 11 GLU CA C 11 59.438 59.438 59.168 0.270 19036 748 1 2 . 1 1 11 11 GLU CB C 11 29.098 29.098 29.412 -0.314 19036 749 1 2 . 1 1 11 11 GLU H H 11 7.841 7.841 7.555 0.286 19036 750 1 2 . 1 1 12 12 PHE N N 12 120.250 120.250 116.816 3.434 19036 751 1 2 . 1 1 12 12 PHE HA H 12 5.033 5.033 4.742 0.291 19036 752 1 2 . 1 1 12 12 PHE CA C 12 59.113 59.113 56.929 2.184 19036 753 1 2 . 1 1 12 12 PHE CB C 12 37.727 37.727 38.443 -0.716 19036 754 1 2 . 1 1 12 12 PHE H H 12 8.641 8.641 7.125 1.516 19036 755 1 2 . 1 1 13 13 LYS N N 13 123.680 123.680 122.041 1.639 19036 756 1 2 . 1 1 13 13 LYS HA H 13 4.038 4.038 4.015 0.023 19036 757 1 2 . 1 1 13 13 LYS CA C 13 60.228 60.228 60.343 -0.115 19036 758 1 2 . 1 1 13 13 LYS CB C 13 32.020 32.020 32.214 -0.194 19036 759 1 2 . 1 1 13 13 LYS H H 13 9.273 9.273 8.108 1.165 19036 760 1 2 . 1 1 14 14 GLU N N 14 120.480 120.480 117.968 2.512 19036 761 1 2 . 1 1 14 14 GLU HA H 14 4.150 4.150 4.125 0.025 19036 762 1 2 . 1 1 14 14 GLU CA C 14 59.283 59.283 59.221 0.062 19036 763 1 2 . 1 1 14 14 GLU CB C 14 29.163 29.163 29.341 -0.178 19036 764 1 2 . 1 1 14 14 GLU H H 14 7.873 7.873 7.751 0.122 19036 765 1 2 . 1 1 15 15 ALA N N 15 122.590 122.590 121.662 0.928 19036 766 1 2 . 1 1 15 15 ALA HA H 15 4.285 4.285 4.248 0.037 19036 767 1 2 . 1 1 15 15 ALA CA C 15 55.370 55.370 54.757 0.613 19036 768 1 2 . 1 1 15 15 ALA CB C 15 18.190 18.190 18.526 -0.336 19036 769 1 2 . 1 1 15 15 ALA H H 15 8.045 8.045 7.745 0.300 19036 770 1 2 . 1 1 16 16 PHE N N 16 119.110 119.110 119.374 -0.264 19036 771 1 2 . 1 1 16 16 PHE HA H 16 3.314 3.314 3.944 -0.630 19036 772 1 2 . 1 1 16 16 PHE CA C 16 62.091 62.091 61.007 1.084 19036 773 1 2 . 1 1 16 16 PHE CB C 16 39.813 39.813 39.188 0.625 19036 774 1 2 . 1 1 16 16 PHE H H 16 8.804 8.804 8.331 0.473 19036 775 1 2 . 1 1 17 17 SER N N 17 113.200 113.200 114.010 -0.810 19036 776 1 2 . 1 1 17 17 SER HA H 17 4.139 4.139 4.050 0.089 19036 777 1 2 . 1 1 17 17 SER CA C 17 61.542 61.542 61.950 -0.408 19036 778 1 2 . 1 1 17 17 SER CB C 17 63.424 63.424 62.973 0.451 19036 779 1 2 . 1 1 17 17 SER H H 17 8.083 8.083 7.794 0.289 19036 780 1 2 . 1 1 18 18 LEU N N 18 120.840 120.840 119.955 0.885 19036 781 1 2 . 1 1 18 18 LEU HA H 18 3.981 3.981 3.938 0.043 19036 782 1 2 . 1 1 18 18 LEU CA C 18 57.258 57.258 57.360 -0.102 19036 783 1 2 . 1 1 18 18 LEU CB C 18 41.565 41.565 41.975 -0.410 19036 784 1 2 . 1 1 18 18 LEU H H 18 7.436 7.436 7.470 -0.034 19036 785 1 2 . 1 1 19 19 PHE N N 19 114.020 114.020 113.635 0.385 19036 786 1 2 . 1 1 19 19 PHE HA H 19 4.237 4.237 4.158 0.079 19036 787 1 2 . 1 1 19 19 PHE CA C 19 59.258 59.258 59.811 -0.553 19036 788 1 2 . 1 1 19 19 PHE CB C 19 41.732 41.732 39.092 2.640 19036 789 1 2 . 1 1 19 19 PHE H H 19 7.180 7.180 7.375 -0.195 19036 790 1 2 . 1 1 20 20 ASP N N 20 117.440 117.440 118.661 -1.221 19036 791 1 2 . 1 1 20 20 ASP HA H 20 4.579 4.579 4.558 0.021 19036 792 1 2 . 1 1 20 20 ASP CA C 20 52.295 52.295 52.599 -0.304 19036 793 1 2 . 1 1 20 20 ASP CB C 20 39.167 39.167 39.184 -0.017 19036 794 1 2 . 1 1 20 20 ASP H H 20 7.844 7.844 7.414 0.430 19036 795 1 2 . 1 1 21 21 LYS N N 21 124.410 124.410 124.357 0.053 19036 796 1 2 . 1 1 21 21 LYS HA H 21 3.990 3.990 3.961 0.029 19036 797 1 2 . 1 1 21 21 LYS CA C 21 58.379 58.379 58.639 -0.260 19036 798 1 2 . 1 1 21 21 LYS CB C 21 32.623 32.623 32.425 0.198 19036 799 1 2 . 1 1 21 21 LYS H H 21 7.728 7.728 7.882 -0.154 19036 800 1 2 . 1 1 22 22 ASP N N 22 114.060 114.060 117.628 -3.568 19036 801 1 2 . 1 1 22 22 ASP HA H 22 4.625 4.625 4.473 0.152 19036 802 1 2 . 1 1 22 22 ASP CA C 22 52.921 52.921 55.870 -2.949 19036 803 1 2 . 1 1 22 22 ASP CB C 22 39.728 39.728 40.953 -1.225 19036 804 1 2 . 1 1 22 22 ASP H H 22 8.095 8.095 9.043 -0.948 19036 805 1 2 . 1 1 23 23 GLY N N 23 109.390 109.390 107.588 1.802 19036 806 1 2 . 1 1 23 23 GLY CA C 23 47.250 47.250 45.771 1.479 19036 807 1 2 . 1 1 23 23 GLY H H 23 7.717 7.717 8.097 -0.380 19036 808 1 2 . 1 1 24 24 ASP N N 24 120.860 120.860 121.215 -0.355 19036 809 1 2 . 1 1 24 24 ASP HA H 24 4.564 4.564 4.629 -0.065 19036 810 1 2 . 1 1 24 24 ASP CA C 24 53.918 53.918 52.786 1.132 19036 811 1 2 . 1 1 24 24 ASP CB C 24 40.569 40.569 40.360 0.209 19036 812 1 2 . 1 1 24 24 ASP H H 24 8.472 8.472 7.996 0.476 19036 813 1 2 . 1 1 25 25 GLY N N 25 113.090 113.090 108.555 4.535 19036 814 1 2 . 1 1 25 25 GLY CA C 25 45.542 45.542 45.874 -0.333 19036 815 1 2 . 1 1 25 25 GLY H H 25 10.619 10.619 8.189 2.430 19036 816 1 2 . 1 1 26 26 THR N N 26 112.600 112.600 110.421 2.179 19036 817 1 2 . 1 1 26 26 THR HA H 26 5.391 5.391 5.259 0.132 19036 818 1 2 . 1 1 26 26 THR CA C 26 59.883 59.883 59.888 -0.005 19036 819 1 2 . 1 1 26 26 THR CB C 26 72.786 72.786 72.338 0.448 19036 820 1 2 . 1 1 26 26 THR H H 26 8.211 8.211 8.612 -0.401 19036 821 1 2 . 1 1 27 27 ILE N N 27 126.830 126.830 123.889 2.941 19036 822 1 2 . 1 1 27 27 ILE HA H 27 4.895 4.895 4.669 0.226 19036 823 1 2 . 1 1 27 27 ILE CA C 27 60.856 60.856 60.294 0.562 19036 824 1 2 . 1 1 27 27 ILE CB C 27 39.926 39.926 39.849 0.077 19036 825 1 2 . 1 1 27 27 ILE H H 27 9.876 9.876 8.502 1.374 19036 826 1 2 . 1 1 28 28 THR N N 28 116.500 116.500 117.839 -1.339 19036 827 1 2 . 1 1 28 28 THR HA H 28 4.811 4.811 4.974 -0.163 19036 828 1 2 . 1 1 28 28 THR CA C 28 59.216 59.216 59.614 -0.398 19036 829 1 2 . 1 1 28 28 THR CB C 28 72.541 72.541 71.474 1.067 19036 830 1 2 . 1 1 28 28 THR H H 28 8.439 8.439 9.325 -0.886 19036 831 1 2 . 1 1 29 29 THR N N 29 112.850 112.850 115.731 -2.881 19036 832 1 2 . 1 1 29 29 THR HA H 29 3.807 3.807 3.937 -0.130 19036 833 1 2 . 1 1 29 29 THR CA C 29 66.516 66.516 66.098 0.418 19036 834 1 2 . 1 1 29 29 THR CB C 29 68.018 68.018 68.230 -0.212 19036 835 1 2 . 1 1 29 29 THR H H 29 9.238 9.238 9.021 0.217 19036 836 1 2 . 1 1 30 30 LYS N N 30 121.130 121.130 121.904 -0.774 19036 837 1 2 . 1 1 30 30 LYS HA H 30 4.170 4.170 4.077 0.093 19036 838 1 2 . 1 1 30 30 LYS CA C 30 59.377 59.377 59.468 -0.091 19036 839 1 2 . 1 1 30 30 LYS CB C 30 32.823 32.823 31.946 0.877 19036 840 1 2 . 1 1 30 30 LYS H H 30 7.688 7.688 8.171 -0.483 19036 841 1 2 . 1 1 31 31 GLU N N 31 121.920 121.920 120.186 1.734 19036 842 1 2 . 1 1 31 31 GLU HA H 31 4.062 4.062 4.015 0.047 19036 843 1 2 . 1 1 31 31 GLU CA C 31 59.579 59.579 59.469 0.110 19036 844 1 2 . 1 1 31 31 GLU CB C 31 29.837 29.837 29.650 0.187 19036 845 1 2 . 1 1 31 31 GLU H H 31 7.783 7.783 7.555 0.228 19036 846 1 2 . 1 1 32 32 LEU N N 32 120.570 120.570 120.879 -0.309 19036 847 1 2 . 1 1 32 32 LEU HA H 32 4.145 4.145 4.097 0.048 19036 848 1 2 . 1 1 32 32 LEU CA C 32 58.321 58.321 58.017 0.304 19036 849 1 2 . 1 1 32 32 LEU CB C 32 42.697 42.697 42.116 0.581 19036 850 1 2 . 1 1 32 32 LEU H H 32 8.705 8.705 8.126 0.579 19036 851 1 2 . 1 1 33 33 GLY N N 33 105.720 105.720 105.785 -0.065 19036 852 1 2 . 1 1 33 33 GLY H H 33 8.753 8.753 8.167 0.586 19036 853 1 2 . 1 1 34 34 THR N N 34 118.370 118.370 118.986 -0.616 19036 854 1 2 . 1 1 34 34 THR HA H 34 3.961 3.961 3.953 0.008 19036 855 1 2 . 1 1 34 34 THR CA C 34 67.097 67.097 67.451 -0.354 19036 856 1 2 . 1 1 34 34 THR CB C 34 68.869 68.869 68.738 0.131 19036 857 1 2 . 1 1 34 34 THR H H 34 8.071 8.071 7.811 0.260 19036 858 1 2 . 1 1 35 35 VAL N N 35 122.170 122.170 121.901 0.269 19036 859 1 2 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.857 -0.248 19036 860 1 2 . 1 1 35 35 VAL CA C 35 66.538 66.538 64.911 1.627 19036 861 1 2 . 1 1 35 35 VAL CB C 35 31.589 31.589 31.677 -0.088 19036 862 1 2 . 1 1 35 35 VAL H H 35 7.738 7.738 7.510 0.228 19036 863 1 2 . 1 1 36 36 MET N N 36 118.620 118.620 118.746 -0.126 19036 864 1 2 . 1 1 36 36 MET HA H 36 4.043 4.043 4.166 -0.123 19036 865 1 2 . 1 1 36 36 MET CA C 36 59.594 59.594 58.556 1.038 19036 866 1 2 . 1 1 36 36 MET CB C 36 31.850 31.850 32.374 -0.524 19036 867 1 2 . 1 1 36 36 MET H H 36 8.559 8.559 8.702 -0.143 19036 868 1 2 . 1 1 37 37 ARG N N 37 118.920 118.920 119.283 -0.363 19036 869 1 2 . 1 1 37 37 ARG HA H 37 4.798 4.798 4.206 0.592 19036 870 1 2 . 1 1 37 37 ARG CA C 37 59.518 59.518 59.481 0.037 19036 871 1 2 . 1 1 37 37 ARG CB C 37 30.189 30.189 29.997 0.192 19036 872 1 2 . 1 1 37 37 ARG H H 37 8.638 8.638 8.568 0.070 19036 873 1 2 . 1 1 38 38 SER N N 38 119.000 119.000 116.073 2.927 19036 874 1 2 . 1 1 38 38 SER HA H 38 4.420 4.420 4.209 0.211 19036 875 1 2 . 1 1 38 38 SER CA C 38 61.682 61.682 61.317 0.365 19036 876 1 2 . 1 1 38 38 SER CB C 38 62.890 62.890 62.860 0.030 19036 877 1 2 . 1 1 38 38 SER H H 38 7.994 7.994 7.605 0.389 19036 878 1 2 . 1 1 39 39 LEU N N 39 120.790 120.790 121.902 -1.112 19036 879 1 2 . 1 1 39 39 LEU HA H 39 4.498 4.498 4.277 0.221 19036 880 1 2 . 1 1 39 39 LEU CA C 39 54.405 54.405 54.786 -0.381 19036 881 1 2 . 1 1 39 39 LEU CB C 39 41.979 41.979 41.910 0.069 19036 882 1 2 . 1 1 39 39 LEU H H 39 7.426 7.426 7.369 0.057 19036 883 1 2 . 1 1 40 40 GLY N N 40 106.830 106.830 107.705 -0.875 19036 884 1 2 . 1 1 40 40 GLY CA C 40 45.713 45.713 45.106 0.607 19036 885 1 2 . 1 1 40 40 GLY H H 40 7.896 7.896 7.772 0.124 19036 886 1 2 . 1 1 41 41 GLN N N 41 118.330 118.330 119.331 -1.001 19036 887 1 2 . 1 1 41 41 GLN HA H 41 4.503 4.503 4.544 -0.041 19036 888 1 2 . 1 1 41 41 GLN CA C 41 54.585 54.585 54.247 0.338 19036 889 1 2 . 1 1 41 41 GLN CB C 41 30.591 30.591 31.343 -0.752 19036 890 1 2 . 1 1 41 41 GLN H H 41 7.865 7.865 7.645 0.220 19036 891 1 2 . 1 1 42 42 ASN N N 42 116.490 116.490 119.471 -2.981 19036 892 1 2 . 1 1 42 42 ASN HA H 42 5.214 5.214 4.964 0.250 19036 893 1 2 . 1 1 42 42 ASN CA C 42 51.351 51.351 50.533 0.818 19036 894 1 2 . 1 1 42 42 ASN CB C 42 39.402 39.402 38.088 1.314 19036 895 1 2 . 1 1 42 42 ASN H H 42 8.771 8.771 8.426 0.345 19036 896 1 2 . 1 1 43 43 PRO HA H 43 4.779 4.779 4.819 -0.040 19036 897 1 2 . 1 1 43 43 PRO CA C 43 62.475 62.475 62.763 -0.288 19036 898 1 2 . 1 1 43 43 PRO CB C 43 32.084 32.084 32.749 -0.665 19036 899 1 2 . 1 1 44 44 THR N N 44 113.050 113.050 112.631 0.419 19036 900 1 2 . 1 1 44 44 THR HA H 44 4.487 4.487 4.649 -0.162 19036 901 1 2 . 1 1 44 44 THR CA C 44 60.565 60.565 59.892 0.673 19036 902 1 2 . 1 1 44 44 THR CB C 44 71.260 71.260 70.754 0.506 19036 903 1 2 . 1 1 44 44 THR H H 44 8.808 8.808 8.143 0.665 19036 904 1 2 . 1 1 45 45 GLU N N 45 120.700 120.700 121.871 -1.171 19036 905 1 2 . 1 1 45 45 GLU HA H 45 4.001 4.001 4.009 -0.008 19036 906 1 2 . 1 1 45 45 GLU CA C 45 60.082 60.082 59.807 0.275 19036 907 1 2 . 1 1 45 45 GLU CB C 45 29.129 29.129 29.211 -0.082 19036 908 1 2 . 1 1 45 45 GLU H H 45 8.842 8.842 8.947 -0.105 19036 909 1 2 . 1 1 46 46 ALA N N 46 120.880 120.880 121.452 -0.572 19036 910 1 2 . 1 1 46 46 ALA HA H 46 4.125 4.125 4.152 -0.027 19036 911 1 2 . 1 1 46 46 ALA CA C 46 55.125 55.125 54.773 0.352 19036 912 1 2 . 1 1 46 46 ALA CB C 46 18.342 18.342 18.014 0.328 19036 913 1 2 . 1 1 46 46 ALA H H 46 8.305 8.305 8.206 0.099 19036 914 1 2 . 1 1 47 47 GLU N N 47 118.780 118.780 119.476 -0.696 19036 915 1 2 . 1 1 47 47 GLU HA H 47 4.040 4.040 4.083 -0.043 19036 916 1 2 . 1 1 47 47 GLU CA C 47 59.144 59.144 59.005 0.139 19036 917 1 2 . 1 1 47 47 GLU CB C 47 29.886 29.886 29.679 0.207 19036 918 1 2 . 1 1 47 47 GLU H H 47 7.736 7.736 7.590 0.146 19036 919 1 2 . 1 1 48 48 LEU N N 48 120.120 120.120 119.188 0.932 19036 920 1 2 . 1 1 48 48 LEU HA H 48 4.079 4.079 4.103 -0.024 19036 921 1 2 . 1 1 48 48 LEU CA C 48 57.955 57.955 57.170 0.785 19036 922 1 2 . 1 1 48 48 LEU CB C 48 42.516 42.516 41.726 0.790 19036 923 1 2 . 1 1 48 48 LEU H H 48 8.169 8.169 7.825 0.344 19036 924 1 2 . 1 1 49 49 GLN N N 49 118.390 118.390 119.949 -1.559 19036 925 1 2 . 1 1 49 49 GLN HA H 49 3.849 3.849 3.919 -0.070 19036 926 1 2 . 1 1 49 49 GLN CA C 49 58.676 58.676 59.305 -0.629 19036 927 1 2 . 1 1 49 49 GLN CB C 49 28.341 28.341 28.021 0.320 19036 928 1 2 . 1 1 49 49 GLN H H 49 8.235 8.235 7.848 0.387 19036 929 1 2 . 1 1 50 50 ASP N N 50 120.090 120.090 119.963 0.127 19036 930 1 2 . 1 1 50 50 ASP HA H 50 4.439 4.439 4.366 0.073 19036 931 1 2 . 1 1 50 50 ASP CA C 50 57.643 57.643 56.869 0.774 19036 932 1 2 . 1 1 50 50 ASP CB C 50 40.366 40.366 40.610 -0.244 19036 933 1 2 . 1 1 50 50 ASP H H 50 8.164 8.164 7.629 0.535 19036 934 1 2 . 1 1 51 51 MET N N 51 119.330 119.330 119.178 0.152 19036 935 1 2 . 1 1 51 51 MET HA H 51 4.021 4.021 4.159 -0.138 19036 936 1 2 . 1 1 51 51 MET CA C 51 59.332 59.332 58.652 0.680 19036 937 1 2 . 1 1 51 51 MET CB C 51 33.713 33.713 32.923 0.790 19036 938 1 2 . 1 1 51 51 MET H H 51 7.909 7.909 7.261 0.648 19036 939 1 2 . 1 1 52 52 ILE N N 52 118.080 118.080 116.498 1.582 19036 940 1 2 . 1 1 52 52 ILE HA H 52 3.581 3.581 3.835 -0.254 19036 941 1 2 . 1 1 52 52 ILE CA C 52 64.476 64.476 64.047 0.429 19036 942 1 2 . 1 1 52 52 ILE CB C 52 37.177 37.177 37.568 -0.391 19036 943 1 2 . 1 1 52 52 ILE H H 52 7.767 7.767 7.953 -0.186 19036 944 1 2 . 1 1 53 53 ASN N N 53 117.980 117.980 119.342 -1.362 19036 945 1 2 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.457 -0.040 19036 946 1 2 . 1 1 53 53 ASN CA C 53 55.988 55.988 56.214 -0.226 19036 947 1 2 . 1 1 53 53 ASN CB C 53 38.211 38.211 38.143 0.068 19036 948 1 2 . 1 1 53 53 ASN H H 53 8.669 8.669 8.716 -0.047 19036 949 1 2 . 1 1 54 54 GLU N N 54 116.350 116.350 119.135 -2.785 19036 950 1 2 . 1 1 54 54 GLU HA H 54 4.066 4.066 4.146 -0.080 19036 951 1 2 . 1 1 54 54 GLU CA C 54 58.930 58.930 58.880 0.050 19036 952 1 2 . 1 1 54 54 GLU CB C 54 30.404 30.404 29.668 0.736 19036 953 1 2 . 1 1 54 54 GLU H H 54 7.566 7.566 8.007 -0.441 19036 954 1 2 . 1 1 55 55 VAL N N 55 110.520 110.520 118.075 -7.555 19036 955 1 2 . 1 1 55 55 VAL HA H 55 4.366 4.366 4.213 0.153 19036 956 1 2 . 1 1 55 55 VAL CA C 55 61.089 61.089 60.888 0.201 19036 957 1 2 . 1 1 55 55 VAL CB C 55 33.088 33.088 33.416 -0.328 19036 958 1 2 . 1 1 55 55 VAL H H 55 7.242 7.242 7.461 -0.219 19036 959 1 2 . 1 1 56 56 ASP N N 56 121.390 121.390 121.135 0.255 19036 960 1 2 . 1 1 56 56 ASP HA H 56 4.582 4.582 4.722 -0.140 19036 961 1 2 . 1 1 56 56 ASP CA C 56 53.916 53.916 53.117 0.799 19036 962 1 2 . 1 1 56 56 ASP CB C 56 40.588 40.588 40.487 0.101 19036 963 1 2 . 1 1 56 56 ASP H H 56 7.749 7.749 7.545 0.204 19036 964 1 2 . 1 1 57 57 ALA N N 57 131.640 131.640 128.960 2.680 19036 965 1 2 . 1 1 57 57 ALA HA H 57 4.247 4.247 4.296 -0.049 19036 966 1 2 . 1 1 57 57 ALA CA C 57 54.341 54.341 53.104 1.237 19036 967 1 2 . 1 1 57 57 ALA CB C 57 19.800 19.800 20.050 -0.250 19036 968 1 2 . 1 1 57 57 ALA H H 57 8.323 8.323 8.606 -0.283 19036 969 1 2 . 1 1 58 58 ASP N N 58 114.000 114.000 118.207 -4.207 19036 970 1 2 . 1 1 58 58 ASP HA H 58 4.682 4.682 4.666 0.016 19036 971 1 2 . 1 1 58 58 ASP CA C 58 52.705 52.705 54.567 -1.862 19036 972 1 2 . 1 1 58 58 ASP CB C 58 39.931 39.931 41.261 -1.330 19036 973 1 2 . 1 1 58 58 ASP H H 58 8.240 8.240 8.159 0.081 19036 974 1 2 . 1 1 59 59 GLY N N 59 108.660 108.660 108.812 -0.152 19036 975 1 2 . 1 1 59 59 GLY CA C 59 47.306 47.306 45.934 1.372 19036 976 1 2 . 1 1 59 59 GLY H H 59 7.635 7.635 8.669 -1.034 19036 977 1 2 . 1 1 60 60 ASN N N 60 118.730 118.730 119.164 -0.434 19036 978 1 2 . 1 1 60 60 ASN HA H 60 4.658 4.658 4.747 -0.089 19036 979 1 2 . 1 1 60 60 ASN CA C 60 52.805 52.805 51.773 1.032 19036 980 1 2 . 1 1 60 60 ASN CB C 60 37.716 37.716 38.536 -0.820 19036 981 1 2 . 1 1 60 60 ASN H H 60 8.184 8.184 8.041 0.143 19036 982 1 2 . 1 1 61 61 GLY N N 61 113.430 113.430 109.948 3.482 19036 983 1 2 . 1 1 61 61 GLY CA C 61 45.753 45.753 46.054 -0.302 19036 984 1 2 . 1 1 61 61 GLY H H 61 10.605 10.605 8.702 1.903 19036 985 1 2 . 1 1 62 62 THR N N 62 108.750 108.750 108.946 -0.196 19036 986 1 2 . 1 1 62 62 THR HA H 62 4.874 4.874 4.926 -0.052 19036 987 1 2 . 1 1 62 62 THR CA C 62 59.541 59.541 59.263 0.278 19036 988 1 2 . 1 1 62 62 THR CB C 62 72.168 72.168 72.474 -0.306 19036 989 1 2 . 1 1 62 62 THR H H 62 7.699 7.699 8.169 -0.470 19036 990 1 2 . 1 1 63 63 ILE N N 63 123.510 123.510 123.212 0.298 19036 991 1 2 . 1 1 63 63 ILE HA H 63 5.160 5.160 4.751 0.409 19036 992 1 2 . 1 1 63 63 ILE CA C 63 59.959 59.959 60.545 -0.586 19036 993 1 2 . 1 1 63 63 ILE CB C 63 39.836 39.836 39.481 0.354 19036 994 1 2 . 1 1 63 63 ILE H H 63 8.823 8.823 8.195 0.628 19036 995 1 2 . 1 1 64 64 ASP N N 64 128.370 128.370 128.223 0.147 19036 996 1 2 . 1 1 64 64 ASP HA H 64 5.463 5.463 5.094 0.369 19036 997 1 2 . 1 1 64 64 ASP CA C 64 52.257 52.257 53.087 -0.830 19036 998 1 2 . 1 1 64 64 ASP CB C 64 42.416 42.416 42.066 0.350 19036 999 1 2 . 1 1 64 64 ASP H H 64 8.946 8.946 8.432 0.514 19036 1000 1 2 . 1 1 65 65 PHE N N 65 118.870 118.870 124.528 -5.658 19036 1001 1 2 . 1 1 65 65 PHE HA H 65 4.028 4.028 3.712 0.316 19036 1002 1 2 . 1 1 65 65 PHE CA C 65 63.404 63.404 62.489 0.915 19036 1003 1 2 . 1 1 65 65 PHE CB C 65 36.123 36.123 36.587 -0.464 19036 1004 1 2 . 1 1 65 65 PHE H H 65 9.000 9.000 8.468 0.532 19036 1005 1 2 . 1 1 66 66 PRO HA H 66 3.918 3.918 3.525 0.393 19036 1006 1 2 . 1 1 66 66 PRO CA C 66 66.799 66.799 65.754 1.045 19036 1007 1 2 . 1 1 66 66 PRO CB C 66 30.789 30.789 30.686 0.103 19036 1008 1 2 . 1 1 67 67 GLU N N 67 117.930 117.930 119.014 -1.084 19036 1009 1 2 . 1 1 67 67 GLU HA H 67 4.088 4.088 3.975 0.113 19036 1010 1 2 . 1 1 67 67 GLU CA C 67 58.965 58.965 59.294 -0.329 19036 1011 1 2 . 1 1 67 67 GLU CB C 67 29.677 29.677 29.207 0.470 19036 1012 1 2 . 1 1 67 67 GLU H H 67 8.185 8.185 7.711 0.474 19036 1013 1 2 . 1 1 68 68 PHE N N 68 123.830 123.830 121.375 2.455 19036 1014 1 2 . 1 1 68 68 PHE HA H 68 3.957 3.957 4.219 -0.262 19036 1015 1 2 . 1 1 68 68 PHE CA C 68 61.439 61.439 60.781 0.658 19036 1016 1 2 . 1 1 68 68 PHE CB C 68 40.429 40.429 39.204 1.225 19036 1017 1 2 . 1 1 68 68 PHE H H 68 8.794 8.794 8.138 0.656 19036 1018 1 2 . 1 1 69 69 LEU N N 69 119.410 119.410 119.649 -0.239 19036 1019 1 2 . 1 1 69 69 LEU HA H 69 3.394 3.394 3.525 -0.131 19036 1020 1 2 . 1 1 69 69 LEU CA C 69 58.042 58.042 57.972 0.070 19036 1021 1 2 . 1 1 69 69 LEU CB C 69 41.246 41.246 41.267 -0.021 19036 1022 1 2 . 1 1 69 69 LEU H H 69 8.662 8.662 8.111 0.551 19036 1023 1 2 . 1 1 70 70 THR N N 70 115.700 115.700 115.486 0.214 19036 1024 1 2 . 1 1 70 70 THR HA H 70 3.783 3.783 3.730 0.053 19036 1025 1 2 . 1 1 70 70 THR CA C 70 66.623 66.623 66.882 -0.259 19036 1026 1 2 . 1 1 70 70 THR CB C 70 68.592 68.592 68.566 0.027 19036 1027 1 2 . 1 1 70 70 THR H H 70 7.744 7.744 7.556 0.188 19036 1028 1 2 . 1 1 71 71 MET N N 71 121.350 121.350 121.437 -0.087 19036 1029 1 2 . 1 1 71 71 MET HA H 71 3.889 3.889 3.964 -0.075 19036 1030 1 2 . 1 1 71 71 MET CA C 71 58.859 58.859 59.003 -0.144 19036 1031 1 2 . 1 1 71 71 MET CB C 71 32.676 32.676 32.607 0.069 19036 1032 1 2 . 1 1 71 71 MET H H 71 7.622 7.622 7.349 0.273 19036 1033 1 2 . 1 1 72 72 MET N N 72 117.390 117.390 116.230 1.160 19036 1034 1 2 . 1 1 72 72 MET HA H 72 3.973 3.973 3.965 0.008 19036 1035 1 2 . 1 1 72 72 MET CA C 72 56.030 56.030 57.305 -1.275 19036 1036 1 2 . 1 1 72 72 MET CB C 72 30.934 30.934 31.201 -0.267 19036 1037 1 2 . 1 1 72 72 MET H H 72 8.066 8.066 7.556 0.510 19036 1038 1 2 . 1 1 73 73 ALA N N 73 121.670 121.670 121.214 0.456 19036 1039 1 2 . 1 1 73 73 ALA HA H 73 4.103 4.103 4.115 -0.012 19036 1040 1 2 . 1 1 73 73 ALA CA C 73 54.517 54.517 54.208 0.309 19036 1041 1 2 . 1 1 73 73 ALA CB C 73 18.381 18.381 18.271 0.110 19036 1042 1 2 . 1 1 73 73 ALA H H 73 8.276 8.276 7.765 0.511 19036 1043 1 2 . 1 1 74 74 ARG N N 74 117.220 117.220 118.783 -1.563 19036 1044 1 2 . 1 1 74 74 ARG HA H 74 4.113 4.113 3.918 0.195 19036 1045 1 2 . 1 1 74 74 ARG CA C 74 58.327 58.327 58.992 -0.665 19036 1046 1 2 . 1 1 74 74 ARG CB C 74 30.378 30.378 29.806 0.572 19036 1047 1 2 . 1 1 74 74 ARG H H 74 7.539 7.539 8.061 -0.522 19036 1048 1 2 . 1 1 75 75 LYS N N 75 119.120 119.120 119.771 -0.651 19036 1049 1 2 . 1 1 75 75 LYS HA H 75 4.261 4.261 4.014 0.247 19036 1050 1 2 . 1 1 75 75 LYS CA C 75 56.990 56.990 59.155 -2.165 19036 1051 1 2 . 1 1 75 75 LYS CB C 75 32.412 32.412 31.948 0.464 19036 1052 1 2 . 1 1 75 75 LYS H H 75 7.833 7.833 7.306 0.527 19036 1053 1 2 . 1 1 76 76 MET N N 76 118.860 118.860 117.717 1.143 19036 1054 1 2 . 1 1 76 76 MET HA H 76 4.370 4.370 4.228 0.142 19036 1055 1 2 . 1 1 76 76 MET CA C 76 56.700 56.700 58.249 -1.549 19036 1056 1 2 . 1 1 76 76 MET CB C 76 32.981 32.981 32.489 0.492 19036 1057 1 2 . 1 1 76 76 MET H H 76 8.000 8.000 7.829 0.171 19036 1058 1 2 . 1 1 77 77 LYS N N 77 120.200 120.200 116.780 3.420 19036 1059 1 2 . 1 1 77 77 LYS HA H 77 4.352 4.352 4.200 0.152 19036 1060 1 2 . 1 1 77 77 LYS CA C 77 56.709 56.709 56.512 0.197 19036 1061 1 2 . 1 1 77 77 LYS CB C 77 33.138 33.138 32.506 0.632 19036 1062 1 2 . 1 1 77 77 LYS H H 77 7.866 7.866 7.714 0.152 19036 1063 1 2 . 1 1 78 78 ASP N N 78 121.430 121.430 117.068 4.362 19036 1064 1 2 . 1 1 78 78 ASP HA H 78 4.691 4.691 4.396 0.295 19036 1065 1 2 . 1 1 78 78 ASP CA C 78 54.771 54.771 55.491 -0.720 19036 1066 1 2 . 1 1 78 78 ASP CB C 78 41.222 41.222 39.149 2.073 19036 1067 1 2 . 1 1 78 78 ASP H H 78 8.250 8.250 8.122 0.128 19036 1068 1 2 . 1 1 79 79 THR N N 79 114.390 114.390 111.715 2.675 19036 1069 1 2 . 1 1 79 79 THR HA H 79 4.337 4.337 4.239 0.098 19036 1070 1 2 . 1 1 79 79 THR CA C 79 62.349 62.349 64.566 -2.217 19036 1071 1 2 . 1 1 79 79 THR CB C 79 69.875 69.875 69.359 0.516 19036 1072 1 2 . 1 1 79 79 THR H H 79 8.093 8.093 7.686 0.407 19036 1073 1 2 . 1 1 80 80 ASP N N 80 123.460 123.460 120.928 2.532 19036 1074 1 2 . 1 1 80 80 ASP HA H 80 4.721 4.721 4.709 0.012 19036 1075 1 2 . 1 1 80 80 ASP CA C 80 54.655 54.655 56.068 -1.413 19036 1076 1 2 . 1 1 80 80 ASP CB C 80 41.416 41.416 40.701 0.715 19036 1077 1 2 . 1 1 80 80 ASP H H 80 8.455 8.455 8.622 -0.167 19036 1078 1 2 . 1 1 81 81 SER N N 81 117.440 117.440 115.627 1.813 19036 1079 1 2 . 1 1 81 81 SER HA H 81 4.455 4.455 4.164 0.291 19036 1080 1 2 . 1 1 81 81 SER CA C 81 59.571 59.571 61.947 -2.376 19036 1081 1 2 . 1 1 81 81 SER CB C 81 63.825 63.825 62.577 1.248 19036 1082 1 2 . 1 1 81 81 SER H H 81 8.505 8.505 8.697 -0.192 19036 1083 1 2 . 1 1 82 82 GLU N N 82 122.380 122.380 122.267 0.113 19036 1084 1 2 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.025 0.160 19036 1085 1 2 . 1 1 82 82 GLU CA C 82 58.800 58.800 59.364 -0.564 19036 1086 1 2 . 1 1 82 82 GLU CB C 82 29.660 29.660 29.140 0.520 19036 1087 1 2 . 1 1 82 82 GLU H H 82 8.508 8.508 8.008 0.500 19036 1088 1 2 . 1 1 83 83 GLU N N 83 119.670 119.670 120.253 -0.583 19036 1089 1 2 . 1 1 83 83 GLU HA H 83 4.085 4.085 4.046 0.039 19036 1090 1 2 . 1 1 83 83 GLU CA C 83 59.576 59.576 59.459 0.117 19036 1091 1 2 . 1 1 83 83 GLU CB C 83 29.410 29.410 29.585 -0.175 19036 1092 1 2 . 1 1 83 83 GLU H H 83 8.297 8.297 8.191 0.106 19036 1093 1 2 . 1 1 84 84 GLU N N 84 118.700 118.700 119.359 -0.659 19036 1094 1 2 . 1 1 84 84 GLU HA H 84 4.135 4.135 4.202 -0.067 19036 1095 1 2 . 1 1 84 84 GLU CA C 84 59.523 59.523 59.450 0.073 19036 1096 1 2 . 1 1 84 84 GLU CB C 84 29.607 29.607 29.461 0.146 19036 1097 1 2 . 1 1 84 84 GLU H H 84 8.218 8.218 7.962 0.256 19036 1098 1 2 . 1 1 85 85 ILE N N 85 121.500 121.500 120.570 0.930 19036 1099 1 2 . 1 1 85 85 ILE HA H 85 3.981 3.981 3.758 0.223 19036 1100 1 2 . 1 1 85 85 ILE CA C 85 64.941 64.941 65.624 -0.683 19036 1101 1 2 . 1 1 85 85 ILE CB C 85 37.484 37.484 37.897 -0.413 19036 1102 1 2 . 1 1 85 85 ILE H H 85 7.980 7.980 8.385 -0.405 19036 1103 1 2 . 1 1 86 86 ARG N N 86 121.710 121.710 118.416 3.294 19036 1104 1 2 . 1 1 86 86 ARG HA H 86 4.186 4.186 4.370 -0.184 19036 1105 1 2 . 1 1 86 86 ARG CA C 86 60.202 60.202 59.520 0.682 19036 1106 1 2 . 1 1 86 86 ARG CB C 86 30.026 30.026 30.130 -0.104 19036 1107 1 2 . 1 1 86 86 ARG H H 86 8.471 8.471 7.958 0.513 19036 1108 1 2 . 1 1 87 87 GLU N N 87 118.710 118.710 120.784 -2.074 19036 1109 1 2 . 1 1 87 87 GLU HA H 87 4.179 4.179 4.217 -0.038 19036 1110 1 2 . 1 1 87 87 GLU CA C 87 58.995 58.995 59.276 -0.281 19036 1111 1 2 . 1 1 87 87 GLU CB C 87 29.201 29.201 29.662 -0.461 19036 1112 1 2 . 1 1 87 87 GLU H H 87 8.211 8.211 8.058 0.153 19036 1113 1 2 . 1 1 88 88 ALA N N 88 121.910 121.910 122.131 -0.221 19036 1114 1 2 . 1 1 88 88 ALA HA H 88 4.180 4.180 4.200 -0.020 19036 1115 1 2 . 1 1 88 88 ALA CA C 88 55.275 55.275 55.129 0.146 19036 1116 1 2 . 1 1 88 88 ALA CB C 88 17.936 17.936 18.270 -0.334 19036 1117 1 2 . 1 1 88 88 ALA H H 88 8.037 8.037 8.304 -0.267 19036 1118 1 2 . 1 1 89 89 PHE N N 89 118.790 118.790 119.641 -0.851 19036 1119 1 2 . 1 1 89 89 PHE HA H 89 3.188 3.188 3.750 -0.562 19036 1120 1 2 . 1 1 89 89 PHE CA C 89 62.283 62.283 61.278 1.005 19036 1121 1 2 . 1 1 89 89 PHE CB C 89 39.238 39.238 38.963 0.275 19036 1122 1 2 . 1 1 89 89 PHE H H 89 8.623 8.623 7.927 0.696 19036 1123 1 2 . 1 1 90 90 ARG N N 90 115.890 115.890 119.686 -3.796 19036 1124 1 2 . 1 1 90 90 ARG HA H 90 3.906 3.906 4.113 -0.207 19036 1125 1 2 . 1 1 90 90 ARG CA C 90 58.950 58.950 59.612 -0.662 19036 1126 1 2 . 1 1 90 90 ARG CB C 90 30.414 30.414 30.074 0.340 19036 1127 1 2 . 1 1 90 90 ARG H H 90 7.775 7.775 8.270 -0.495 19036 1128 1 2 . 1 1 91 91 VAL N N 91 118.320 118.320 118.021 0.299 19036 1129 1 2 . 1 1 91 91 VAL HA H 91 3.515 3.515 3.704 -0.189 19036 1130 1 2 . 1 1 91 91 VAL CA C 91 65.726 65.726 65.321 0.405 19036 1131 1 2 . 1 1 91 91 VAL CB C 91 31.579 31.579 32.005 -0.426 19036 1132 1 2 . 1 1 91 91 VAL H H 91 7.538 7.538 7.260 0.278 19036 1133 1 2 . 1 1 92 92 PHE N N 92 115.750 115.750 117.067 -1.317 19036 1134 1 2 . 1 1 92 92 PHE HA H 92 4.247 4.247 4.159 0.088 19036 1135 1 2 . 1 1 92 92 PHE CA C 92 60.241 60.241 60.678 -0.437 19036 1136 1 2 . 1 1 92 92 PHE CB C 92 40.951 40.951 39.104 1.847 19036 1137 1 2 . 1 1 92 92 PHE H H 92 7.381 7.381 8.043 -0.662 19036 1138 1 2 . 1 1 93 93 ASP N N 93 116.590 116.590 118.080 -1.490 19036 1139 1 2 . 1 1 93 93 ASP HA H 93 4.590 4.590 4.751 -0.161 19036 1140 1 2 . 1 1 93 93 ASP CA C 93 52.466 52.466 52.938 -0.472 19036 1141 1 2 . 1 1 93 93 ASP CB C 93 38.478 38.478 39.437 -0.959 19036 1142 1 2 . 1 1 93 93 ASP H H 93 7.900 7.900 8.038 -0.138 19036 1143 1 2 . 1 1 94 94 LYS N N 94 126.160 126.160 124.585 1.575 19036 1144 1 2 . 1 1 94 94 LYS HA H 94 3.945 3.945 3.971 -0.026 19036 1145 1 2 . 1 1 94 94 LYS CA C 94 59.072 59.072 58.604 0.468 19036 1146 1 2 . 1 1 94 94 LYS CB C 94 32.589 32.589 32.685 -0.096 19036 1147 1 2 . 1 1 94 94 LYS H H 94 7.790 7.790 7.971 -0.181 19036 1148 1 2 . 1 1 95 95 ASP N N 95 114.060 114.060 115.979 -1.919 19036 1149 1 2 . 1 1 95 95 ASP HA H 95 4.579 4.579 4.448 0.131 19036 1150 1 2 . 1 1 95 95 ASP CA C 95 53.120 53.120 54.838 -1.718 19036 1151 1 2 . 1 1 95 95 ASP CB C 95 40.043 40.043 40.643 -0.600 19036 1152 1 2 . 1 1 95 95 ASP H H 95 8.237 8.237 8.912 -0.675 19036 1153 1 2 . 1 1 96 96 GLY N N 96 109.410 109.410 108.166 1.244 19036 1154 1 2 . 1 1 96 96 GLY CA C 96 47.263 47.263 45.919 1.344 19036 1155 1 2 . 1 1 96 96 GLY H H 96 7.839 7.839 8.324 -0.485 19036 1156 1 2 . 1 1 97 97 ASN N N 97 119.630 119.630 120.167 -0.537 19036 1157 1 2 . 1 1 97 97 ASN HA H 97 4.659 4.659 4.638 0.021 19036 1158 1 2 . 1 1 97 97 ASN CA C 97 52.681 52.681 52.883 -0.202 19036 1159 1 2 . 1 1 97 97 ASN CB C 97 38.311 38.311 38.741 -0.430 19036 1160 1 2 . 1 1 97 97 ASN H H 97 8.377 8.377 8.197 0.180 19036 1161 1 2 . 1 1 98 98 GLY N N 98 112.970 112.970 107.367 5.603 19036 1162 1 2 . 1 1 98 98 GLY CA C 98 45.183 45.183 45.415 -0.232 19036 1163 1 2 . 1 1 98 98 GLY H H 98 10.687 10.687 8.427 2.260 19036 1164 1 2 . 1 1 99 99 TYR N N 99 116.080 116.080 118.498 -2.418 19036 1165 1 2 . 1 1 99 99 TYR HA H 99 5.065 5.065 5.177 -0.112 19036 1166 1 2 . 1 1 99 99 TYR CA C 99 56.198 56.198 56.697 -0.499 19036 1167 1 2 . 1 1 99 99 TYR CB C 99 43.110 43.110 41.729 1.381 19036 1168 1 2 . 1 1 99 99 TYR H H 99 7.671 7.671 8.142 -0.471 19036 1169 1 2 . 1 1 100 100 ILE N N 100 127.320 127.320 123.808 3.512 19036 1170 1 2 . 1 1 100 100 ILE HA H 100 4.780 4.780 4.541 0.239 19036 1171 1 2 . 1 1 100 100 ILE CA C 100 60.731 60.731 60.703 0.028 19036 1172 1 2 . 1 1 100 100 ILE CB C 100 39.050 39.050 38.838 0.212 19036 1173 1 2 . 1 1 100 100 ILE H H 100 10.163 10.163 8.859 1.304 19036 1174 1 2 . 1 1 101 101 SER N N 101 123.810 123.810 123.078 0.732 19036 1175 1 2 . 1 1 101 101 SER HA H 101 4.898 4.898 4.779 0.119 19036 1176 1 2 . 1 1 101 101 SER CA C 101 55.840 55.840 56.533 -0.694 19036 1177 1 2 . 1 1 101 101 SER CB C 101 66.799 66.799 65.816 0.983 19036 1178 1 2 . 1 1 101 101 SER H H 101 8.970 8.970 7.873 1.097 19036 1179 1 2 . 1 1 102 102 ALA N N 102 123.130 123.130 124.212 -1.082 19036 1180 1 2 . 1 1 102 102 ALA HA H 102 3.927 3.927 4.121 -0.194 19036 1181 1 2 . 1 1 102 102 ALA CA C 102 56.023 56.023 55.089 0.934 19036 1182 1 2 . 1 1 102 102 ALA CB C 102 18.139 18.139 18.347 -0.208 19036 1183 1 2 . 1 1 102 102 ALA H H 102 9.269 9.269 8.861 0.408 19036 1184 1 2 . 1 1 103 103 ALA N N 103 118.460 118.460 120.577 -2.117 19036 1185 1 2 . 1 1 103 103 ALA HA H 103 4.058 4.058 4.137 -0.079 19036 1186 1 2 . 1 1 103 103 ALA CA C 103 55.250 55.250 54.607 0.643 19036 1187 1 2 . 1 1 103 103 ALA CB C 103 18.492 18.492 18.073 0.419 19036 1188 1 2 . 1 1 103 103 ALA H H 103 8.294 8.294 8.299 -0.005 19036 1189 1 2 . 1 1 104 104 GLU N N 104 120.070 120.070 119.754 0.316 19036 1190 1 2 . 1 1 104 104 GLU HA H 104 4.073 4.073 3.997 0.076 19036 1191 1 2 . 1 1 104 104 GLU CA C 104 59.567 59.567 58.994 0.573 19036 1192 1 2 . 1 1 104 104 GLU CB C 104 29.262 29.262 29.590 -0.328 19036 1193 1 2 . 1 1 104 104 GLU H H 104 7.939 7.939 7.633 0.306 19036 1194 1 2 . 1 1 105 105 LEU N N 105 120.990 120.990 120.393 0.597 19036 1195 1 2 . 1 1 105 105 LEU HA H 105 4.133 4.133 4.093 0.040 19036 1196 1 2 . 1 1 105 105 LEU CA C 105 58.618 58.618 57.667 0.951 19036 1197 1 2 . 1 1 105 105 LEU CB C 105 42.210 42.210 41.977 0.233 19036 1198 1 2 . 1 1 105 105 LEU H H 105 8.534 8.534 7.581 0.953 19036 1199 1 2 . 1 1 106 106 ARG N N 106 117.580 117.580 118.845 -1.265 19036 1200 1 2 . 1 1 106 106 ARG HA H 106 3.832 3.832 3.993 -0.161 19036 1201 1 2 . 1 1 106 106 ARG CA C 106 60.041 60.041 58.755 1.286 19036 1202 1 2 . 1 1 106 106 ARG CB C 106 30.648 30.648 29.489 1.159 19036 1203 1 2 . 1 1 106 106 ARG H H 106 8.667 8.667 7.489 1.178 19036 1204 1 2 . 1 1 107 107 HIS N N 107 118.880 118.880 119.536 -0.656 19036 1205 1 2 . 1 1 107 107 HIS HA H 107 4.338 4.338 4.265 0.073 19036 1206 1 2 . 1 1 107 107 HIS CA C 107 59.771 59.771 60.231 -0.460 19036 1207 1 2 . 1 1 107 107 HIS CB C 107 30.491 30.491 29.589 0.902 19036 1208 1 2 . 1 1 107 107 HIS H H 107 8.071 8.071 7.683 0.388 19036 1209 1 2 . 1 1 108 108 VAL N N 108 119.170 119.170 118.840 0.330 19036 1210 1 2 . 1 1 108 108 VAL HA H 108 3.556 3.556 3.619 -0.063 19036 1211 1 2 . 1 1 108 108 VAL CA C 108 66.580 66.580 66.828 -0.248 19036 1212 1 2 . 1 1 108 108 VAL CB C 108 31.920 31.920 31.552 0.368 19036 1213 1 2 . 1 1 108 108 VAL H H 108 8.107 8.107 7.535 0.572 19036 1214 1 2 . 1 1 109 109 MET N N 109 116.290 116.290 118.170 -1.880 19036 1215 1 2 . 1 1 109 109 MET HA H 109 4.326 4.326 4.102 0.224 19036 1216 1 2 . 1 1 109 109 MET CA C 109 57.824 57.824 59.367 -1.543 19036 1217 1 2 . 1 1 109 109 MET CB C 109 31.052 31.052 32.594 -1.542 19036 1218 1 2 . 1 1 109 109 MET H H 109 8.280 8.280 7.536 0.744 19036 1219 1 2 . 1 1 110 110 THR N N 110 115.190 115.190 116.527 -1.337 19036 1220 1 2 . 1 1 110 110 THR HA H 110 4.166 4.166 4.198 -0.032 19036 1221 1 2 . 1 1 110 110 THR CA C 110 66.182 66.182 66.917 -0.735 19036 1222 1 2 . 1 1 110 110 THR CB C 110 68.951 68.951 68.451 0.500 19036 1223 1 2 . 1 1 110 110 THR H H 110 8.244 8.244 8.281 -0.037 19036 1224 1 2 . 1 1 111 111 ASN N N 111 122.310 122.310 120.380 1.930 19036 1225 1 2 . 1 1 111 111 ASN HA H 111 4.502 4.502 4.449 0.053 19036 1226 1 2 . 1 1 111 111 ASN CA C 111 55.931 55.931 55.645 0.286 19036 1227 1 2 . 1 1 111 111 ASN CB C 111 38.585 38.585 38.340 0.245 19036 1228 1 2 . 1 1 111 111 ASN H H 111 7.904 7.904 8.065 -0.161 19036 1229 1 2 . 1 1 112 112 LEU N N 112 118.850 118.850 118.471 0.379 19036 1230 1 2 . 1 1 112 112 LEU HA H 112 4.354 4.354 4.539 -0.185 19036 1231 1 2 . 1 1 112 112 LEU CA C 112 55.274 55.274 54.433 0.841 19036 1232 1 2 . 1 1 112 112 LEU CB C 112 42.218 42.218 41.516 0.702 19036 1233 1 2 . 1 1 112 112 LEU H H 112 7.873 7.873 7.238 0.635 19036 1234 1 2 . 1 1 113 113 GLY N N 113 106.700 106.700 107.975 -1.275 19036 1235 1 2 . 1 1 113 113 GLY CA C 113 45.596 45.596 45.392 0.204 19036 1236 1 2 . 1 1 113 113 GLY H H 113 7.844 7.844 7.836 0.008 19036 1237 1 2 . 1 1 114 114 GLU N N 114 120.140 120.140 120.893 -0.753 19036 1238 1 2 . 1 1 114 114 GLU HA H 114 4.459 4.459 4.552 -0.093 19036 1239 1 2 . 1 1 114 114 GLU CA C 114 55.046 55.046 55.428 -0.382 19036 1240 1 2 . 1 1 114 114 GLU CB C 114 30.469 30.469 32.249 -1.780 19036 1241 1 2 . 1 1 114 114 GLU H H 114 7.946 7.946 8.156 -0.210 19036 1242 1 2 . 1 1 115 115 LYS N N 115 124.130 124.130 123.018 1.112 19036 1243 1 2 . 1 1 115 115 LYS HA H 115 4.394 4.394 4.527 -0.133 19036 1244 1 2 . 1 1 115 115 LYS CA C 115 55.794 55.794 56.470 -0.676 19036 1245 1 2 . 1 1 115 115 LYS CB C 115 32.191 32.191 33.786 -1.595 19036 1246 1 2 . 1 1 115 115 LYS H H 115 8.646 8.646 8.450 0.196 19036 1247 1 2 . 1 1 116 116 LEU N N 116 124.840 124.840 125.679 -0.839 19036 1248 1 2 . 1 1 116 116 LEU HA H 116 4.793 4.793 4.856 -0.063 19036 1249 1 2 . 1 1 116 116 LEU CA C 116 54.127 54.127 52.847 1.280 19036 1250 1 2 . 1 1 116 116 LEU CB C 116 44.934 44.934 44.206 0.728 19036 1251 1 2 . 1 1 116 116 LEU H H 116 8.097 8.097 8.237 -0.140 19036 1252 1 2 . 1 1 117 117 THR N N 117 114.690 114.690 110.285 4.405 19036 1253 1 2 . 1 1 117 117 THR HA H 117 4.492 4.492 4.496 -0.004 19036 1254 1 2 . 1 1 117 117 THR CA C 117 60.751 60.751 60.730 0.021 19036 1255 1 2 . 1 1 117 117 THR CB C 117 71.303 71.303 71.003 0.300 19036 1256 1 2 . 1 1 117 117 THR H H 117 9.252 9.252 7.893 1.359 19036 1257 1 2 . 1 1 118 118 ASP N N 118 121.130 121.130 122.238 -1.108 19036 1258 1 2 . 1 1 118 118 ASP HA H 118 4.232 4.232 4.272 -0.040 19036 1259 1 2 . 1 1 118 118 ASP CA C 118 58.080 58.080 57.222 0.858 19036 1260 1 2 . 1 1 118 118 ASP CB C 118 39.870 39.870 40.740 -0.870 19036 1261 1 2 . 1 1 118 118 ASP H H 118 8.936 8.936 8.885 0.051 19036 1262 1 2 . 1 1 119 119 GLU N N 119 119.110 119.110 119.070 0.040 19036 1263 1 2 . 1 1 119 119 GLU HA H 119 4.117 4.117 4.023 0.094 19036 1264 1 2 . 1 1 119 119 GLU CA C 119 60.043 60.043 59.809 0.234 19036 1265 1 2 . 1 1 119 119 GLU CB C 119 29.135 29.135 29.509 -0.373 19036 1266 1 2 . 1 1 119 119 GLU H H 119 8.715 8.715 8.635 0.080 19036 1267 1 2 . 1 1 120 120 GLU N N 120 120.680 120.680 118.771 1.909 19036 1268 1 2 . 1 1 120 120 GLU HA H 120 4.062 4.062 4.103 -0.041 19036 1269 1 2 . 1 1 120 120 GLU CA C 120 59.138 59.138 59.184 -0.046 19036 1270 1 2 . 1 1 120 120 GLU CB C 120 30.420 30.420 29.593 0.827 19036 1271 1 2 . 1 1 120 120 GLU H H 120 7.809 7.809 7.601 0.208 19036 1272 1 2 . 1 1 121 121 VAL N N 121 120.660 120.660 119.624 1.036 19036 1273 1 2 . 1 1 121 121 VAL HA H 121 3.637 3.637 3.802 -0.165 19036 1274 1 2 . 1 1 121 121 VAL CA C 121 67.003 67.003 65.411 1.592 19036 1275 1 2 . 1 1 121 121 VAL CB C 121 31.463 31.463 31.231 0.232 19036 1276 1 2 . 1 1 121 121 VAL H H 121 8.079 8.079 7.908 0.171 19036 1277 1 2 . 1 1 122 122 ASP N N 122 119.590 119.590 120.522 -0.932 19036 1278 1 2 . 1 1 122 122 ASP HA H 122 4.349 4.349 4.313 0.036 19036 1279 1 2 . 1 1 122 122 ASP CA C 122 57.718 57.718 57.696 0.022 19036 1280 1 2 . 1 1 122 122 ASP CB C 122 40.593 40.593 40.817 -0.224 19036 1281 1 2 . 1 1 122 122 ASP H H 122 8.124 8.124 8.602 -0.478 19036 1282 1 2 . 1 1 123 123 GLU N N 123 119.760 119.760 119.499 0.261 19036 1283 1 2 . 1 1 123 123 GLU HA H 123 4.051 4.051 4.003 0.048 19036 1284 1 2 . 1 1 123 123 GLU CA C 123 59.144 59.144 58.990 0.154 19036 1285 1 2 . 1 1 123 123 GLU CB C 123 29.161 29.161 29.562 -0.401 19036 1286 1 2 . 1 1 123 123 GLU H H 123 8.034 8.034 8.029 0.005 19036 1287 1 2 . 1 1 124 124 MET N N 124 119.580 119.580 119.242 0.338 19036 1288 1 2 . 1 1 124 124 MET HA H 124 4.024 4.024 4.076 -0.052 19036 1289 1 2 . 1 1 124 124 MET CA C 124 59.353 59.353 59.632 -0.279 19036 1290 1 2 . 1 1 124 124 MET CB C 124 33.497 33.497 32.804 0.693 19036 1291 1 2 . 1 1 124 124 MET H H 124 7.871 7.871 7.380 0.491 19036 1292 1 2 . 1 1 125 125 ILE N N 125 118.210 118.210 118.419 -0.209 19036 1293 1 2 . 1 1 125 125 ILE HA H 125 3.524 3.524 3.671 -0.147 19036 1294 1 2 . 1 1 125 125 ILE CA C 125 63.855 63.855 64.825 -0.970 19036 1295 1 2 . 1 1 125 125 ILE CB C 125 36.457 36.457 37.306 -0.849 19036 1296 1 2 . 1 1 125 125 ILE H H 125 7.953 7.953 7.573 0.380 19036 1297 1 2 . 1 1 126 126 ARG N N 126 118.420 118.420 120.049 -1.629 19036 1298 1 2 . 1 1 126 126 ARG HA H 126 4.038 4.038 3.996 0.042 19036 1299 1 2 . 1 1 126 126 ARG CA C 126 59.809 59.809 59.052 0.757 19036 1300 1 2 . 1 1 126 126 ARG CB C 126 30.311 30.311 29.934 0.377 19036 1301 1 2 . 1 1 126 126 ARG H H 126 8.228 8.228 7.576 0.652 19036 1302 1 2 . 1 1 127 127 GLU N N 127 115.830 115.830 118.509 -2.679 19036 1303 1 2 . 1 1 127 127 GLU HA H 127 4.026 4.026 4.125 -0.099 19036 1304 1 2 . 1 1 127 127 GLU CA C 127 58.489 58.489 58.786 -0.297 19036 1305 1 2 . 1 1 127 127 GLU CB C 127 29.435 29.435 29.854 -0.419 19036 1306 1 2 . 1 1 127 127 GLU H H 127 7.950 7.950 7.950 -0.000 19036 1307 1 2 . 1 1 128 128 ALA N N 128 119.010 119.010 119.180 -0.170 19036 1308 1 2 . 1 1 128 128 ALA HA H 128 4.444 4.444 4.347 0.097 19036 1309 1 2 . 1 1 128 128 ALA CA C 128 52.125 52.125 52.059 0.066 19036 1310 1 2 . 1 1 128 128 ALA CB C 128 21.322 21.322 19.621 1.701 19036 1311 1 2 . 1 1 128 128 ALA H H 128 7.386 7.386 7.552 -0.166 19036 1312 1 2 . 1 1 129 129 ASP N N 129 117.790 117.790 119.166 -1.376 19036 1313 1 2 . 1 1 129 129 ASP HA H 129 4.516 4.516 4.614 -0.098 19036 1314 1 2 . 1 1 129 129 ASP CA C 129 54.190 54.190 53.969 0.221 19036 1315 1 2 . 1 1 129 129 ASP CB C 129 40.587 40.587 39.937 0.651 19036 1316 1 2 . 1 1 129 129 ASP H H 129 7.913 7.913 7.651 0.262 19036 1317 1 2 . 1 1 130 130 ILE N N 130 127.770 127.770 123.573 4.197 19036 1318 1 2 . 1 1 130 130 ILE HA H 130 3.938 3.938 4.007 -0.069 19036 1319 1 2 . 1 1 130 130 ILE CA C 130 63.431 63.431 62.520 0.911 19036 1320 1 2 . 1 1 130 130 ILE CB C 130 38.748 38.748 38.494 0.254 19036 1321 1 2 . 1 1 130 130 ILE H H 130 8.332 8.332 8.032 0.300 19036 1322 1 2 . 1 1 131 131 ASP N N 131 116.680 116.680 119.362 -2.682 19036 1323 1 2 . 1 1 131 131 ASP HA H 131 4.493 4.493 4.509 -0.016 19036 1324 1 2 . 1 1 131 131 ASP CA C 131 53.734 53.734 54.594 -0.860 19036 1325 1 2 . 1 1 131 131 ASP CB C 131 40.062 40.062 41.229 -1.167 19036 1326 1 2 . 1 1 131 131 ASP H H 131 8.371 8.371 9.135 -0.764 19036 1327 1 2 . 1 1 132 132 GLY N N 132 108.680 108.680 108.902 -0.222 19036 1328 1 2 . 1 1 132 132 GLY CA C 132 47.587 47.587 45.402 2.185 19036 1329 1 2 . 1 1 132 132 GLY H H 132 7.636 7.636 8.090 -0.454 19036 1330 1 2 . 1 1 133 133 ASP N N 133 120.930 120.930 120.810 0.120 19036 1331 1 2 . 1 1 133 133 ASP HA H 133 4.530 4.530 4.534 -0.004 19036 1332 1 2 . 1 1 133 133 ASP CA C 133 53.845 53.845 53.511 0.334 19036 1333 1 2 . 1 1 133 133 ASP CB C 133 40.322 40.322 40.907 -0.585 19036 1334 1 2 . 1 1 133 133 ASP H H 133 8.378 8.378 8.663 -0.285 19036 1335 1 2 . 1 1 134 134 GLY N N 134 112.990 112.990 108.574 4.416 19036 1336 1 2 . 1 1 134 134 GLY CA C 134 45.855 45.855 45.395 0.460 19036 1337 1 2 . 1 1 134 134 GLY H H 134 10.401 10.401 8.060 2.341 19036 1338 1 2 . 1 1 135 135 GLN N N 135 115.490 115.490 117.610 -2.120 19036 1339 1 2 . 1 1 135 135 GLN HA H 135 4.887 4.887 4.678 0.209 19036 1340 1 2 . 1 1 135 135 GLN CA C 135 53.289 53.289 54.031 -0.742 19036 1341 1 2 . 1 1 135 135 GLN CB C 135 32.515 32.515 32.853 -0.338 19036 1342 1 2 . 1 1 135 135 GLN H H 135 8.007 8.007 8.409 -0.402 19036 1343 1 2 . 1 1 136 136 VAL N N 136 125.480 125.480 122.243 3.237 19036 1344 1 2 . 1 1 136 136 VAL HA H 136 5.213 5.213 4.633 0.580 19036 1345 1 2 . 1 1 136 136 VAL CA C 136 61.784 61.784 61.269 0.515 19036 1346 1 2 . 1 1 136 136 VAL CB C 136 33.839 33.839 32.423 1.415 19036 1347 1 2 . 1 1 136 136 VAL H H 136 9.167 9.167 8.097 1.070 19036 1348 1 2 . 1 1 137 137 ASN N N 137 129.140 129.140 125.142 3.998 19036 1349 1 2 . 1 1 137 137 ASN HA H 137 5.288 5.288 5.263 0.025 19036 1350 1 2 . 1 1 137 137 ASN CA C 137 51.176 51.176 50.968 0.208 19036 1351 1 2 . 1 1 137 137 ASN CB C 137 38.446 38.446 40.365 -1.919 19036 1352 1 2 . 1 1 137 137 ASN H H 137 9.576 9.576 8.027 1.549 19036 1353 1 2 . 1 1 138 138 TYR N N 138 118.600 118.600 120.906 -2.306 19036 1354 1 2 . 1 1 138 138 TYR HA H 138 3.456 3.456 4.108 -0.652 19036 1355 1 2 . 1 1 138 138 TYR CA C 138 62.842 62.842 63.643 -0.801 19036 1356 1 2 . 1 1 138 138 TYR CB C 138 37.805 37.805 38.014 -0.208 19036 1357 1 2 . 1 1 138 138 TYR H H 138 8.464 8.464 8.873 -0.409 19036 1358 1 2 . 1 1 139 139 GLU N N 139 118.470 118.470 118.979 -0.509 19036 1359 1 2 . 1 1 139 139 GLU HA H 139 3.686 3.686 3.938 -0.252 19036 1360 1 2 . 1 1 139 139 GLU CA C 139 60.456 60.456 60.551 -0.095 19036 1361 1 2 . 1 1 139 139 GLU CB C 139 29.008 29.008 28.991 0.017 19036 1362 1 2 . 1 1 139 139 GLU H H 139 8.152 8.152 8.977 -0.825 19036 1363 1 2 . 1 1 140 140 GLU N N 140 119.970 119.970 120.122 -0.152 19036 1364 1 2 . 1 1 140 140 GLU HA H 140 4.025 4.025 4.086 -0.061 19036 1365 1 2 . 1 1 140 140 GLU CA C 140 58.655 58.655 59.057 -0.402 19036 1366 1 2 . 1 1 140 140 GLU CB C 140 29.868 29.868 29.477 0.392 19036 1367 1 2 . 1 1 140 140 GLU H H 140 8.815 8.815 8.210 0.605 19036 1368 1 2 . 1 1 141 141 PHE N N 141 124.860 124.860 121.644 3.216 19036 1369 1 2 . 1 1 141 141 PHE HA H 141 4.000 4.000 4.218 -0.218 19036 1370 1 2 . 1 1 141 141 PHE CA C 141 61.733 61.733 61.290 0.443 19036 1371 1 2 . 1 1 141 141 PHE CB C 141 40.089 40.089 39.176 0.913 19036 1372 1 2 . 1 1 141 141 PHE H H 141 8.927 8.927 8.725 0.202 19036 1373 1 2 . 1 1 142 142 VAL N N 142 119.400 119.400 118.655 0.745 19036 1374 1 2 . 1 1 142 142 VAL HA H 142 3.152 3.152 3.345 -0.193 19036 1375 1 2 . 1 1 142 142 VAL CA C 142 67.139 67.139 66.868 0.271 19036 1376 1 2 . 1 1 142 142 VAL CB C 142 31.622 31.622 31.783 -0.161 19036 1377 1 2 . 1 1 142 142 VAL H H 142 8.635 8.635 8.596 0.039 19036 1378 1 2 . 1 1 143 143 GLN N N 143 118.420 118.420 119.152 -0.732 19036 1379 1 2 . 1 1 143 143 GLN HA H 143 3.902 3.902 4.050 -0.148 19036 1380 1 2 . 1 1 143 143 GLN CA C 143 58.894 58.894 58.060 0.834 19036 1381 1 2 . 1 1 143 143 GLN CB C 143 28.186 28.186 28.485 -0.299 19036 1382 1 2 . 1 1 143 143 GLN H H 143 7.516 7.516 7.866 -0.350 19036 1383 1 2 . 1 1 144 144 MET N N 144 119.410 119.410 118.093 1.317 19036 1384 1 2 . 1 1 144 144 MET HA H 144 4.113 4.113 4.119 -0.006 19036 1385 1 2 . 1 1 144 144 MET CA C 144 58.360 58.360 58.532 -0.172 19036 1386 1 2 . 1 1 144 144 MET CB C 144 33.188 33.188 32.851 0.337 19036 1387 1 2 . 1 1 144 144 MET H H 144 7.867 7.867 8.216 -0.349 19036 1388 1 2 . 1 1 145 145 MET N N 145 114.770 114.770 113.759 1.011 19036 1389 1 2 . 1 1 145 145 MET HA H 145 4.263 4.263 4.348 -0.085 19036 1390 1 2 . 1 1 145 145 MET CA C 145 55.607 55.607 57.310 -1.703 19036 1391 1 2 . 1 1 145 145 MET CB C 145 32.224 32.224 32.955 -0.731 19036 1392 1 2 . 1 1 145 145 MET H H 145 7.796 7.796 7.341 0.455 19036 1393 1 2 . 1 1 146 146 THR N N 146 111.500 111.500 117.129 -5.629 19036 1394 1 2 . 1 1 146 146 THR HA H 146 4.325 4.325 4.295 0.030 19036 1395 1 2 . 1 1 146 146 THR CA C 146 62.420 62.420 61.838 0.582 19036 1396 1 2 . 1 1 146 146 THR CB C 146 70.327 70.327 66.586 3.741 19036 1397 1 2 . 1 1 146 146 THR H H 146 7.591 7.591 7.360 0.231 19036 1398 1 2 . 1 1 147 147 ALA N N 147 127.110 127.110 124.470 2.640 19036 1399 1 2 . 1 1 147 147 ALA HA H 147 4.319 4.319 4.642 -0.323 19036 1400 1 2 . 1 1 147 147 ALA CA C 147 52.991 52.991 51.203 1.788 19036 1401 1 2 . 1 1 147 147 ALA CB C 147 19.162 19.162 20.769 -1.607 19036 1402 1 2 . 1 1 147 147 ALA H H 147 7.827 7.827 7.666 0.161 19036 1403 1 3 . 1 1 2 2 ASP HA H 2 4.654 4.654 4.694 -0.040 19036 1404 1 3 . 1 1 2 2 ASP CA C 2 54.799 54.799 54.571 0.228 19036 1405 1 3 . 1 1 2 2 ASP CB C 2 41.496 41.496 40.792 0.704 19036 1406 1 3 . 1 1 3 3 GLN N N 3 119.900 119.900 117.306 2.594 19036 1407 1 3 . 1 1 3 3 GLN HA H 3 4.399 4.399 4.154 0.245 19036 1408 1 3 . 1 1 3 3 GLN CA C 3 55.646 55.646 56.583 -0.937 19036 1409 1 3 . 1 1 3 3 GLN CB C 3 29.996 29.996 28.719 1.277 19036 1410 1 3 . 1 1 3 3 GLN H H 3 8.385 8.385 8.194 0.191 19036 1411 1 3 . 1 1 4 4 LEU N N 4 123.270 123.270 120.088 3.182 19036 1412 1 3 . 1 1 4 4 LEU HA H 4 4.681 4.681 4.455 0.226 19036 1413 1 3 . 1 1 4 4 LEU CA C 4 54.516 54.516 54.485 0.031 19036 1414 1 3 . 1 1 4 4 LEU CB C 4 43.666 43.666 43.308 0.358 19036 1415 1 3 . 1 1 4 4 LEU H H 4 8.351 8.351 7.697 0.654 19036 1416 1 3 . 1 1 5 5 THR N N 5 113.150 113.150 111.650 1.500 19036 1417 1 3 . 1 1 5 5 THR HA H 5 4.479 4.479 4.619 -0.140 19036 1418 1 3 . 1 1 5 5 THR CA C 5 60.553 60.553 60.342 0.211 19036 1419 1 3 . 1 1 5 5 THR CB C 5 71.232 71.232 71.743 -0.510 19036 1420 1 3 . 1 1 5 5 THR H H 5 8.764 8.764 8.033 0.731 19036 1421 1 3 . 1 1 6 6 GLU N N 6 120.490 120.490 122.507 -2.017 19036 1422 1 3 . 1 1 6 6 GLU HA H 6 3.994 3.994 3.943 0.051 19036 1423 1 3 . 1 1 6 6 GLU CA C 6 60.091 60.091 59.728 0.363 19036 1424 1 3 . 1 1 6 6 GLU CB C 6 29.307 29.307 29.503 -0.196 19036 1425 1 3 . 1 1 6 6 GLU H H 6 9.066 9.066 9.028 0.038 19036 1426 1 3 . 1 1 7 7 GLU N N 7 119.640 119.640 119.382 0.258 19036 1427 1 3 . 1 1 7 7 GLU HA H 7 4.081 4.081 3.985 0.096 19036 1428 1 3 . 1 1 7 7 GLU CA C 7 60.055 60.055 58.991 1.064 19036 1429 1 3 . 1 1 7 7 GLU CB C 7 29.194 29.194 29.302 -0.108 19036 1430 1 3 . 1 1 7 7 GLU H H 7 8.769 8.769 8.490 0.279 19036 1431 1 3 . 1 1 8 8 GLN N N 8 120.420 120.420 119.038 1.382 19036 1432 1 3 . 1 1 8 8 GLN HA H 8 3.857 3.857 4.019 -0.162 19036 1433 1 3 . 1 1 8 8 GLN CA C 8 58.691 58.691 58.397 0.294 19036 1434 1 3 . 1 1 8 8 GLN CB C 8 29.295 29.295 28.517 0.777 19036 1435 1 3 . 1 1 8 8 GLN H H 8 7.779 7.779 7.423 0.356 19036 1436 1 3 . 1 1 9 9 ILE N N 9 119.530 119.530 119.602 -0.072 19036 1437 1 3 . 1 1 9 9 ILE HA H 9 3.699 3.699 3.566 0.133 19036 1438 1 3 . 1 1 9 9 ILE CA C 9 66.284 66.284 64.623 1.661 19036 1439 1 3 . 1 1 9 9 ILE CB C 9 37.882 37.882 37.885 -0.003 19036 1440 1 3 . 1 1 9 9 ILE H H 9 8.391 8.391 7.424 0.967 19036 1441 1 3 . 1 1 10 10 ALA N N 10 121.270 121.270 121.170 0.100 19036 1442 1 3 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.943 0.197 19036 1443 1 3 . 1 1 10 10 ALA CA C 10 55.569 55.569 55.580 -0.011 19036 1444 1 3 . 1 1 10 10 ALA CB C 10 17.977 17.977 17.866 0.111 19036 1445 1 3 . 1 1 10 10 ALA H H 10 8.040 8.040 7.620 0.420 19036 1446 1 3 . 1 1 11 11 GLU N N 11 119.830 119.830 119.071 0.759 19036 1447 1 3 . 1 1 11 11 GLU HA H 11 4.159 4.159 4.032 0.127 19036 1448 1 3 . 1 1 11 11 GLU CA C 11 59.438 59.438 59.239 0.199 19036 1449 1 3 . 1 1 11 11 GLU CB C 11 29.098 29.098 29.315 -0.217 19036 1450 1 3 . 1 1 11 11 GLU H H 11 7.841 7.841 7.482 0.359 19036 1451 1 3 . 1 1 12 12 PHE N N 12 120.250 120.250 116.849 3.401 19036 1452 1 3 . 1 1 12 12 PHE HA H 12 5.033 5.033 4.735 0.298 19036 1453 1 3 . 1 1 12 12 PHE CA C 12 59.113 59.113 57.112 2.001 19036 1454 1 3 . 1 1 12 12 PHE CB C 12 37.727 37.727 38.405 -0.678 19036 1455 1 3 . 1 1 12 12 PHE H H 12 8.641 8.641 7.335 1.306 19036 1456 1 3 . 1 1 13 13 LYS N N 13 123.680 123.680 122.039 1.641 19036 1457 1 3 . 1 1 13 13 LYS HA H 13 4.038 4.038 3.989 0.049 19036 1458 1 3 . 1 1 13 13 LYS CA C 13 60.228 60.228 60.362 -0.134 19036 1459 1 3 . 1 1 13 13 LYS CB C 13 32.020 32.020 32.123 -0.103 19036 1460 1 3 . 1 1 13 13 LYS H H 13 9.273 9.273 8.165 1.108 19036 1461 1 3 . 1 1 14 14 GLU N N 14 120.480 120.480 118.276 2.204 19036 1462 1 3 . 1 1 14 14 GLU HA H 14 4.150 4.150 4.079 0.071 19036 1463 1 3 . 1 1 14 14 GLU CA C 14 59.283 59.283 59.303 -0.020 19036 1464 1 3 . 1 1 14 14 GLU CB C 14 29.163 29.163 29.526 -0.363 19036 1465 1 3 . 1 1 14 14 GLU H H 14 7.873 7.873 7.816 0.057 19036 1466 1 3 . 1 1 15 15 ALA N N 15 122.590 122.590 121.695 0.895 19036 1467 1 3 . 1 1 15 15 ALA HA H 15 4.285 4.285 4.234 0.051 19036 1468 1 3 . 1 1 15 15 ALA CA C 15 55.370 55.370 54.754 0.616 19036 1469 1 3 . 1 1 15 15 ALA CB C 15 18.190 18.190 18.596 -0.406 19036 1470 1 3 . 1 1 15 15 ALA H H 15 8.045 8.045 7.703 0.342 19036 1471 1 3 . 1 1 16 16 PHE N N 16 119.110 119.110 119.172 -0.062 19036 1472 1 3 . 1 1 16 16 PHE HA H 16 3.314 3.314 3.928 -0.614 19036 1473 1 3 . 1 1 16 16 PHE CA C 16 62.091 62.091 60.885 1.206 19036 1474 1 3 . 1 1 16 16 PHE CB C 16 39.813 39.813 39.157 0.656 19036 1475 1 3 . 1 1 16 16 PHE H H 16 8.804 8.804 8.235 0.569 19036 1476 1 3 . 1 1 17 17 SER N N 17 113.200 113.200 114.123 -0.923 19036 1477 1 3 . 1 1 17 17 SER HA H 17 4.139 4.139 4.032 0.107 19036 1478 1 3 . 1 1 17 17 SER CA C 17 61.542 61.542 61.949 -0.407 19036 1479 1 3 . 1 1 17 17 SER CB C 17 63.424 63.424 63.169 0.255 19036 1480 1 3 . 1 1 17 17 SER H H 17 8.083 8.083 7.768 0.315 19036 1481 1 3 . 1 1 18 18 LEU N N 18 120.840 120.840 119.965 0.875 19036 1482 1 3 . 1 1 18 18 LEU HA H 18 3.981 3.981 3.906 0.075 19036 1483 1 3 . 1 1 18 18 LEU CA C 18 57.258 57.258 57.528 -0.270 19036 1484 1 3 . 1 1 18 18 LEU CB C 18 41.565 41.565 41.968 -0.403 19036 1485 1 3 . 1 1 18 18 LEU H H 18 7.436 7.436 7.495 -0.059 19036 1486 1 3 . 1 1 19 19 PHE N N 19 114.020 114.020 114.361 -0.341 19036 1487 1 3 . 1 1 19 19 PHE HA H 19 4.237 4.237 4.137 0.100 19036 1488 1 3 . 1 1 19 19 PHE CA C 19 59.258 59.258 59.864 -0.606 19036 1489 1 3 . 1 1 19 19 PHE CB C 19 41.732 41.732 38.940 2.792 19036 1490 1 3 . 1 1 19 19 PHE H H 19 7.180 7.180 7.354 -0.174 19036 1491 1 3 . 1 1 20 20 ASP N N 20 117.440 117.440 117.835 -0.395 19036 1492 1 3 . 1 1 20 20 ASP HA H 20 4.579 4.579 4.615 -0.036 19036 1493 1 3 . 1 1 20 20 ASP CA C 20 52.295 52.295 52.873 -0.578 19036 1494 1 3 . 1 1 20 20 ASP CB C 20 39.167 39.167 39.703 -0.536 19036 1495 1 3 . 1 1 20 20 ASP H H 20 7.844 7.844 7.384 0.460 19036 1496 1 3 . 1 1 21 21 LYS N N 21 124.410 124.410 124.838 -0.428 19036 1497 1 3 . 1 1 21 21 LYS HA H 21 3.990 3.990 3.936 0.054 19036 1498 1 3 . 1 1 21 21 LYS CA C 21 58.379 58.379 58.869 -0.490 19036 1499 1 3 . 1 1 21 21 LYS CB C 21 32.623 32.623 32.539 0.083 19036 1500 1 3 . 1 1 21 21 LYS H H 21 7.728 7.728 7.875 -0.147 19036 1501 1 3 . 1 1 22 22 ASP N N 22 114.060 114.060 114.949 -0.889 19036 1502 1 3 . 1 1 22 22 ASP HA H 22 4.625 4.625 4.442 0.183 19036 1503 1 3 . 1 1 22 22 ASP CA C 22 52.921 52.921 54.284 -1.363 19036 1504 1 3 . 1 1 22 22 ASP CB C 22 39.728 39.728 40.355 -0.627 19036 1505 1 3 . 1 1 22 22 ASP H H 22 8.095 8.095 7.847 0.248 19036 1506 1 3 . 1 1 23 23 GLY N N 23 109.390 109.390 108.103 1.287 19036 1507 1 3 . 1 1 23 23 GLY CA C 23 47.250 47.250 45.940 1.310 19036 1508 1 3 . 1 1 23 23 GLY H H 23 7.717 7.717 7.636 0.081 19036 1509 1 3 . 1 1 24 24 ASP N N 24 120.860 120.860 121.085 -0.225 19036 1510 1 3 . 1 1 24 24 ASP HA H 24 4.564 4.564 4.531 0.033 19036 1511 1 3 . 1 1 24 24 ASP CA C 24 53.918 53.918 53.400 0.518 19036 1512 1 3 . 1 1 24 24 ASP CB C 24 40.569 40.569 40.877 -0.308 19036 1513 1 3 . 1 1 24 24 ASP H H 24 8.472 8.472 8.608 -0.136 19036 1514 1 3 . 1 1 25 25 GLY N N 25 113.090 113.090 109.309 3.781 19036 1515 1 3 . 1 1 25 25 GLY CA C 25 45.542 45.542 45.672 -0.130 19036 1516 1 3 . 1 1 25 25 GLY H H 25 10.619 10.619 8.610 2.009 19036 1517 1 3 . 1 1 26 26 THR N N 26 112.600 112.600 111.118 1.482 19036 1518 1 3 . 1 1 26 26 THR HA H 26 5.391 5.391 5.166 0.225 19036 1519 1 3 . 1 1 26 26 THR CA C 26 59.883 59.883 60.026 -0.143 19036 1520 1 3 . 1 1 26 26 THR CB C 26 72.786 72.786 72.234 0.552 19036 1521 1 3 . 1 1 26 26 THR H H 26 8.211 8.211 8.650 -0.439 19036 1522 1 3 . 1 1 27 27 ILE N N 27 126.830 126.830 124.460 2.370 19036 1523 1 3 . 1 1 27 27 ILE HA H 27 4.895 4.895 4.898 -0.003 19036 1524 1 3 . 1 1 27 27 ILE CA C 27 60.856 60.856 60.360 0.496 19036 1525 1 3 . 1 1 27 27 ILE CB C 27 39.926 39.926 39.915 0.011 19036 1526 1 3 . 1 1 27 27 ILE H H 27 9.876 9.876 8.517 1.359 19036 1527 1 3 . 1 1 28 28 THR N N 28 116.500 116.500 116.952 -0.452 19036 1528 1 3 . 1 1 28 28 THR HA H 28 4.811 4.811 4.921 -0.110 19036 1529 1 3 . 1 1 28 28 THR CA C 28 59.216 59.216 59.782 -0.566 19036 1530 1 3 . 1 1 28 28 THR CB C 28 72.541 72.541 71.917 0.624 19036 1531 1 3 . 1 1 28 28 THR H H 28 8.439 8.439 9.022 -0.583 19036 1532 1 3 . 1 1 29 29 THR N N 29 112.850 112.850 114.473 -1.623 19036 1533 1 3 . 1 1 29 29 THR HA H 29 3.807 3.807 3.942 -0.135 19036 1534 1 3 . 1 1 29 29 THR CA C 29 66.516 66.516 66.574 -0.058 19036 1535 1 3 . 1 1 29 29 THR CB C 29 68.018 68.018 68.677 -0.659 19036 1536 1 3 . 1 1 29 29 THR H H 29 9.238 9.238 8.950 0.288 19036 1537 1 3 . 1 1 30 30 LYS N N 30 121.130 121.130 120.804 0.326 19036 1538 1 3 . 1 1 30 30 LYS HA H 30 4.170 4.170 4.058 0.112 19036 1539 1 3 . 1 1 30 30 LYS CA C 30 59.377 59.377 59.678 -0.302 19036 1540 1 3 . 1 1 30 30 LYS CB C 30 32.823 32.823 32.165 0.658 19036 1541 1 3 . 1 1 30 30 LYS H H 30 7.688 7.688 8.351 -0.663 19036 1542 1 3 . 1 1 31 31 GLU N N 31 121.920 121.920 120.388 1.532 19036 1543 1 3 . 1 1 31 31 GLU HA H 31 4.062 4.062 4.046 0.015 19036 1544 1 3 . 1 1 31 31 GLU CA C 31 59.579 59.579 59.220 0.359 19036 1545 1 3 . 1 1 31 31 GLU CB C 31 29.837 29.837 29.594 0.243 19036 1546 1 3 . 1 1 31 31 GLU H H 31 7.783 7.783 7.562 0.221 19036 1547 1 3 . 1 1 32 32 LEU N N 32 120.570 120.570 120.440 0.130 19036 1548 1 3 . 1 1 32 32 LEU HA H 32 4.145 4.145 4.068 0.077 19036 1549 1 3 . 1 1 32 32 LEU CA C 32 58.321 58.321 57.950 0.371 19036 1550 1 3 . 1 1 32 32 LEU CB C 32 42.697 42.697 41.980 0.717 19036 1551 1 3 . 1 1 32 32 LEU H H 32 8.705 8.705 8.057 0.648 19036 1552 1 3 . 1 1 33 33 GLY N N 33 105.720 105.720 106.009 -0.289 19036 1553 1 3 . 1 1 33 33 GLY H H 33 8.753 8.753 8.323 0.430 19036 1554 1 3 . 1 1 34 34 THR N N 34 118.370 118.370 119.416 -1.046 19036 1555 1 3 . 1 1 34 34 THR HA H 34 3.961 3.961 3.905 0.056 19036 1556 1 3 . 1 1 34 34 THR CA C 34 67.097 67.097 67.092 0.005 19036 1557 1 3 . 1 1 34 34 THR CB C 34 68.869 68.869 68.815 0.054 19036 1558 1 3 . 1 1 34 34 THR H H 34 8.071 8.071 7.976 0.095 19036 1559 1 3 . 1 1 35 35 VAL N N 35 122.170 122.170 122.042 0.128 19036 1560 1 3 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.820 -0.211 19036 1561 1 3 . 1 1 35 35 VAL CA C 35 66.538 66.538 65.102 1.436 19036 1562 1 3 . 1 1 35 35 VAL CB C 35 31.589 31.589 32.050 -0.460 19036 1563 1 3 . 1 1 35 35 VAL H H 35 7.738 7.738 7.670 0.068 19036 1564 1 3 . 1 1 36 36 MET N N 36 118.620 118.620 118.555 0.065 19036 1565 1 3 . 1 1 36 36 MET HA H 36 4.043 4.043 4.142 -0.099 19036 1566 1 3 . 1 1 36 36 MET CA C 36 59.594 59.594 58.503 1.091 19036 1567 1 3 . 1 1 36 36 MET CB C 36 31.850 31.850 32.445 -0.595 19036 1568 1 3 . 1 1 36 36 MET H H 36 8.559 8.559 8.610 -0.051 19036 1569 1 3 . 1 1 37 37 ARG N N 37 118.920 118.920 119.843 -0.923 19036 1570 1 3 . 1 1 37 37 ARG HA H 37 4.798 4.798 4.191 0.607 19036 1571 1 3 . 1 1 37 37 ARG CA C 37 59.518 59.518 59.520 -0.002 19036 1572 1 3 . 1 1 37 37 ARG CB C 37 30.189 30.189 30.000 0.189 19036 1573 1 3 . 1 1 37 37 ARG H H 37 8.638 8.638 8.606 0.032 19036 1574 1 3 . 1 1 38 38 SER N N 38 119.000 119.000 115.393 3.607 19036 1575 1 3 . 1 1 38 38 SER HA H 38 4.420 4.420 4.208 0.212 19036 1576 1 3 . 1 1 38 38 SER CA C 38 61.682 61.682 61.061 0.621 19036 1577 1 3 . 1 1 38 38 SER CB C 38 62.890 62.890 62.805 0.085 19036 1578 1 3 . 1 1 38 38 SER H H 38 7.994 7.994 7.526 0.468 19036 1579 1 3 . 1 1 39 39 LEU N N 39 120.790 120.790 121.677 -0.887 19036 1580 1 3 . 1 1 39 39 LEU HA H 39 4.498 4.498 4.271 0.227 19036 1581 1 3 . 1 1 39 39 LEU CA C 39 54.405 54.405 54.844 -0.439 19036 1582 1 3 . 1 1 39 39 LEU CB C 39 41.979 41.979 41.889 0.090 19036 1583 1 3 . 1 1 39 39 LEU H H 39 7.426 7.426 7.414 0.012 19036 1584 1 3 . 1 1 40 40 GLY N N 40 106.830 106.830 107.650 -0.820 19036 1585 1 3 . 1 1 40 40 GLY CA C 40 45.713 45.713 45.193 0.520 19036 1586 1 3 . 1 1 40 40 GLY H H 40 7.896 7.896 7.819 0.077 19036 1587 1 3 . 1 1 41 41 GLN N N 41 118.330 118.330 119.279 -0.949 19036 1588 1 3 . 1 1 41 41 GLN HA H 41 4.503 4.503 4.526 -0.023 19036 1589 1 3 . 1 1 41 41 GLN CA C 41 54.585 54.585 54.306 0.279 19036 1590 1 3 . 1 1 41 41 GLN CB C 41 30.591 30.591 31.220 -0.629 19036 1591 1 3 . 1 1 41 41 GLN H H 41 7.865 7.865 7.698 0.167 19036 1592 1 3 . 1 1 42 42 ASN N N 42 116.490 116.490 118.171 -1.681 19036 1593 1 3 . 1 1 42 42 ASN HA H 42 5.214 5.214 5.010 0.204 19036 1594 1 3 . 1 1 42 42 ASN CA C 42 51.351 51.351 51.281 0.071 19036 1595 1 3 . 1 1 42 42 ASN CB C 42 39.402 39.402 38.264 1.138 19036 1596 1 3 . 1 1 42 42 ASN H H 42 8.771 8.771 8.513 0.258 19036 1597 1 3 . 1 1 43 43 PRO HA H 43 4.779 4.779 4.963 -0.184 19036 1598 1 3 . 1 1 43 43 PRO CA C 43 62.475 62.475 62.707 -0.232 19036 1599 1 3 . 1 1 43 43 PRO CB C 43 32.084 32.084 33.425 -1.341 19036 1600 1 3 . 1 1 44 44 THR N N 44 113.050 113.050 112.615 0.435 19036 1601 1 3 . 1 1 44 44 THR HA H 44 4.487 4.487 4.655 -0.168 19036 1602 1 3 . 1 1 44 44 THR CA C 44 60.565 60.565 59.818 0.747 19036 1603 1 3 . 1 1 44 44 THR CB C 44 71.260 71.260 70.868 0.392 19036 1604 1 3 . 1 1 44 44 THR H H 44 8.808 8.808 8.145 0.663 19036 1605 1 3 . 1 1 45 45 GLU N N 45 120.700 120.700 121.849 -1.149 19036 1606 1 3 . 1 1 45 45 GLU HA H 45 4.001 4.001 4.007 -0.006 19036 1607 1 3 . 1 1 45 45 GLU CA C 45 60.082 60.082 59.903 0.179 19036 1608 1 3 . 1 1 45 45 GLU CB C 45 29.129 29.129 29.197 -0.068 19036 1609 1 3 . 1 1 45 45 GLU H H 45 8.842 8.842 8.951 -0.109 19036 1610 1 3 . 1 1 46 46 ALA N N 46 120.880 120.880 121.595 -0.715 19036 1611 1 3 . 1 1 46 46 ALA HA H 46 4.125 4.125 4.151 -0.026 19036 1612 1 3 . 1 1 46 46 ALA CA C 46 55.125 55.125 54.844 0.281 19036 1613 1 3 . 1 1 46 46 ALA CB C 46 18.342 18.342 18.018 0.324 19036 1614 1 3 . 1 1 46 46 ALA H H 46 8.305 8.305 8.267 0.038 19036 1615 1 3 . 1 1 47 47 GLU N N 47 118.780 118.780 119.568 -0.788 19036 1616 1 3 . 1 1 47 47 GLU HA H 47 4.040 4.040 4.069 -0.029 19036 1617 1 3 . 1 1 47 47 GLU CA C 47 59.144 59.144 59.105 0.039 19036 1618 1 3 . 1 1 47 47 GLU CB C 47 29.886 29.886 29.663 0.223 19036 1619 1 3 . 1 1 47 47 GLU H H 47 7.736 7.736 7.589 0.147 19036 1620 1 3 . 1 1 48 48 LEU N N 48 120.120 120.120 119.458 0.662 19036 1621 1 3 . 1 1 48 48 LEU HA H 48 4.079 4.079 4.113 -0.034 19036 1622 1 3 . 1 1 48 48 LEU CA C 48 57.955 57.955 57.392 0.563 19036 1623 1 3 . 1 1 48 48 LEU CB C 48 42.516 42.516 41.852 0.664 19036 1624 1 3 . 1 1 48 48 LEU H H 48 8.169 8.169 7.930 0.239 19036 1625 1 3 . 1 1 49 49 GLN N N 49 118.390 118.390 119.460 -1.070 19036 1626 1 3 . 1 1 49 49 GLN HA H 49 3.849 3.849 3.915 -0.066 19036 1627 1 3 . 1 1 49 49 GLN CA C 49 58.676 58.676 59.234 -0.558 19036 1628 1 3 . 1 1 49 49 GLN CB C 49 28.341 28.341 28.133 0.208 19036 1629 1 3 . 1 1 49 49 GLN H H 49 8.235 8.235 8.126 0.109 19036 1630 1 3 . 1 1 50 50 ASP N N 50 120.090 120.090 120.015 0.075 19036 1631 1 3 . 1 1 50 50 ASP HA H 50 4.439 4.439 4.400 0.039 19036 1632 1 3 . 1 1 50 50 ASP CA C 50 57.643 57.643 56.838 0.805 19036 1633 1 3 . 1 1 50 50 ASP CB C 50 40.366 40.366 40.665 -0.299 19036 1634 1 3 . 1 1 50 50 ASP H H 50 8.164 8.164 7.725 0.439 19036 1635 1 3 . 1 1 51 51 MET N N 51 119.330 119.330 118.460 0.870 19036 1636 1 3 . 1 1 51 51 MET HA H 51 4.021 4.021 4.058 -0.037 19036 1637 1 3 . 1 1 51 51 MET CA C 51 59.332 59.332 59.654 -0.322 19036 1638 1 3 . 1 1 51 51 MET CB C 51 33.713 33.713 32.896 0.817 19036 1639 1 3 . 1 1 51 51 MET H H 51 7.909 7.909 7.388 0.521 19036 1640 1 3 . 1 1 52 52 ILE N N 52 118.080 118.080 116.741 1.339 19036 1641 1 3 . 1 1 52 52 ILE HA H 52 3.581 3.581 3.848 -0.267 19036 1642 1 3 . 1 1 52 52 ILE CA C 52 64.476 64.476 63.930 0.546 19036 1643 1 3 . 1 1 52 52 ILE CB C 52 37.177 37.177 37.657 -0.480 19036 1644 1 3 . 1 1 52 52 ILE H H 52 7.767 7.767 7.792 -0.025 19036 1645 1 3 . 1 1 53 53 ASN N N 53 117.980 117.980 119.327 -1.347 19036 1646 1 3 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.442 -0.025 19036 1647 1 3 . 1 1 53 53 ASN CA C 53 55.988 55.988 56.228 -0.240 19036 1648 1 3 . 1 1 53 53 ASN CB C 53 38.211 38.211 38.010 0.201 19036 1649 1 3 . 1 1 53 53 ASN H H 53 8.669 8.669 8.674 -0.005 19036 1650 1 3 . 1 1 54 54 GLU N N 54 116.350 116.350 119.043 -2.693 19036 1651 1 3 . 1 1 54 54 GLU HA H 54 4.066 4.066 4.121 -0.055 19036 1652 1 3 . 1 1 54 54 GLU CA C 54 58.930 58.930 58.804 0.126 19036 1653 1 3 . 1 1 54 54 GLU CB C 54 30.404 30.404 29.976 0.428 19036 1654 1 3 . 1 1 54 54 GLU H H 54 7.566 7.566 7.845 -0.279 19036 1655 1 3 . 1 1 55 55 VAL N N 55 110.520 110.520 115.975 -5.455 19036 1656 1 3 . 1 1 55 55 VAL HA H 55 4.366 4.366 4.293 0.073 19036 1657 1 3 . 1 1 55 55 VAL CA C 55 61.089 61.089 60.532 0.557 19036 1658 1 3 . 1 1 55 55 VAL CB C 55 33.088 33.088 32.578 0.511 19036 1659 1 3 . 1 1 55 55 VAL H H 55 7.242 7.242 7.630 -0.388 19036 1660 1 3 . 1 1 56 56 ASP N N 56 121.390 121.390 121.459 -0.069 19036 1661 1 3 . 1 1 56 56 ASP HA H 56 4.582 4.582 4.726 -0.144 19036 1662 1 3 . 1 1 56 56 ASP CA C 56 53.916 53.916 53.455 0.461 19036 1663 1 3 . 1 1 56 56 ASP CB C 56 40.588 40.588 40.373 0.215 19036 1664 1 3 . 1 1 56 56 ASP H H 56 7.749 7.749 7.611 0.138 19036 1665 1 3 . 1 1 57 57 ALA N N 57 131.640 131.640 130.109 1.531 19036 1666 1 3 . 1 1 57 57 ALA HA H 57 4.247 4.247 4.221 0.026 19036 1667 1 3 . 1 1 57 57 ALA CA C 57 54.341 54.341 53.481 0.860 19036 1668 1 3 . 1 1 57 57 ALA CB C 57 19.800 19.800 19.951 -0.151 19036 1669 1 3 . 1 1 57 57 ALA H H 57 8.323 8.323 8.138 0.185 19036 1670 1 3 . 1 1 58 58 ASP N N 58 114.000 114.000 116.614 -2.614 19036 1671 1 3 . 1 1 58 58 ASP HA H 58 4.682 4.682 4.595 0.087 19036 1672 1 3 . 1 1 58 58 ASP CA C 58 52.705 52.705 53.382 -0.677 19036 1673 1 3 . 1 1 58 58 ASP CB C 58 39.931 39.931 40.675 -0.744 19036 1674 1 3 . 1 1 58 58 ASP H H 58 8.240 8.240 8.042 0.198 19036 1675 1 3 . 1 1 59 59 GLY N N 59 108.660 108.660 108.520 0.140 19036 1676 1 3 . 1 1 59 59 GLY CA C 59 47.306 47.306 45.998 1.308 19036 1677 1 3 . 1 1 59 59 GLY H H 59 7.635 7.635 8.649 -1.014 19036 1678 1 3 . 1 1 60 60 ASN N N 60 118.730 118.730 119.614 -0.884 19036 1679 1 3 . 1 1 60 60 ASN HA H 60 4.658 4.658 4.720 -0.062 19036 1680 1 3 . 1 1 60 60 ASN CA C 60 52.805 52.805 52.037 0.768 19036 1681 1 3 . 1 1 60 60 ASN CB C 60 37.716 37.716 38.637 -0.921 19036 1682 1 3 . 1 1 60 60 ASN H H 60 8.184 8.184 8.997 -0.813 19036 1683 1 3 . 1 1 61 61 GLY N N 61 113.430 113.430 109.133 4.297 19036 1684 1 3 . 1 1 61 61 GLY CA C 61 45.753 45.753 46.095 -0.342 19036 1685 1 3 . 1 1 61 61 GLY H H 61 10.605 10.605 8.709 1.896 19036 1686 1 3 . 1 1 62 62 THR N N 62 108.750 108.750 109.540 -0.790 19036 1687 1 3 . 1 1 62 62 THR HA H 62 4.874 4.874 4.932 -0.058 19036 1688 1 3 . 1 1 62 62 THR CA C 62 59.541 59.541 59.636 -0.095 19036 1689 1 3 . 1 1 62 62 THR CB C 62 72.168 72.168 72.666 -0.498 19036 1690 1 3 . 1 1 62 62 THR H H 62 7.699 7.699 8.291 -0.592 19036 1691 1 3 . 1 1 63 63 ILE N N 63 123.510 123.510 123.212 0.298 19036 1692 1 3 . 1 1 63 63 ILE HA H 63 5.160 5.160 4.757 0.403 19036 1693 1 3 . 1 1 63 63 ILE CA C 63 59.959 59.959 60.346 -0.388 19036 1694 1 3 . 1 1 63 63 ILE CB C 63 39.836 39.836 39.745 0.091 19036 1695 1 3 . 1 1 63 63 ILE H H 63 8.823 8.823 8.153 0.670 19036 1696 1 3 . 1 1 64 64 ASP N N 64 128.370 128.370 128.203 0.167 19036 1697 1 3 . 1 1 64 64 ASP HA H 64 5.463 5.463 5.107 0.356 19036 1698 1 3 . 1 1 64 64 ASP CA C 64 52.257 52.257 53.066 -0.809 19036 1699 1 3 . 1 1 64 64 ASP CB C 64 42.416 42.416 42.116 0.300 19036 1700 1 3 . 1 1 64 64 ASP H H 64 8.946 8.946 8.316 0.630 19036 1701 1 3 . 1 1 65 65 PHE N N 65 118.870 118.870 124.309 -5.439 19036 1702 1 3 . 1 1 65 65 PHE HA H 65 4.028 4.028 3.722 0.306 19036 1703 1 3 . 1 1 65 65 PHE CA C 65 63.404 63.404 62.506 0.898 19036 1704 1 3 . 1 1 65 65 PHE CB C 65 36.123 36.123 36.631 -0.508 19036 1705 1 3 . 1 1 65 65 PHE H H 65 9.000 9.000 8.548 0.452 19036 1706 1 3 . 1 1 66 66 PRO HA H 66 3.918 3.918 3.575 0.343 19036 1707 1 3 . 1 1 66 66 PRO CA C 66 66.799 66.799 65.747 1.052 19036 1708 1 3 . 1 1 66 66 PRO CB C 66 30.789 30.789 30.719 0.070 19036 1709 1 3 . 1 1 67 67 GLU N N 67 117.930 117.930 119.069 -1.139 19036 1710 1 3 . 1 1 67 67 GLU HA H 67 4.088 4.088 3.975 0.113 19036 1711 1 3 . 1 1 67 67 GLU CA C 67 58.965 58.965 59.250 -0.285 19036 1712 1 3 . 1 1 67 67 GLU CB C 67 29.677 29.677 29.235 0.442 19036 1713 1 3 . 1 1 67 67 GLU H H 67 8.185 8.185 7.745 0.440 19036 1714 1 3 . 1 1 68 68 PHE N N 68 123.830 123.830 121.342 2.488 19036 1715 1 3 . 1 1 68 68 PHE HA H 68 3.957 3.957 4.206 -0.249 19036 1716 1 3 . 1 1 68 68 PHE CA C 68 61.439 61.439 60.820 0.619 19036 1717 1 3 . 1 1 68 68 PHE CB C 68 40.429 40.429 39.189 1.240 19036 1718 1 3 . 1 1 68 68 PHE H H 68 8.794 8.794 8.137 0.657 19036 1719 1 3 . 1 1 69 69 LEU N N 69 119.410 119.410 119.431 -0.021 19036 1720 1 3 . 1 1 69 69 LEU HA H 69 3.394 3.394 3.498 -0.104 19036 1721 1 3 . 1 1 69 69 LEU CA C 69 58.042 58.042 57.974 0.068 19036 1722 1 3 . 1 1 69 69 LEU CB C 69 41.246 41.246 41.137 0.109 19036 1723 1 3 . 1 1 69 69 LEU H H 69 8.662 8.662 8.210 0.452 19036 1724 1 3 . 1 1 70 70 THR N N 70 115.700 115.700 115.405 0.295 19036 1725 1 3 . 1 1 70 70 THR HA H 70 3.783 3.783 3.774 0.009 19036 1726 1 3 . 1 1 70 70 THR CA C 70 66.623 66.623 67.222 -0.599 19036 1727 1 3 . 1 1 70 70 THR CB C 70 68.592 68.592 68.417 0.175 19036 1728 1 3 . 1 1 70 70 THR H H 70 7.744 7.744 7.681 0.063 19036 1729 1 3 . 1 1 71 71 MET N N 71 121.350 121.350 121.009 0.341 19036 1730 1 3 . 1 1 71 71 MET HA H 71 3.889 3.889 3.969 -0.080 19036 1731 1 3 . 1 1 71 71 MET CA C 71 58.859 58.859 58.981 -0.122 19036 1732 1 3 . 1 1 71 71 MET CB C 71 32.676 32.676 32.523 0.153 19036 1733 1 3 . 1 1 71 71 MET H H 71 7.622 7.622 7.277 0.345 19036 1734 1 3 . 1 1 72 72 MET N N 72 117.390 117.390 116.263 1.127 19036 1735 1 3 . 1 1 72 72 MET HA H 72 3.973 3.973 3.963 0.010 19036 1736 1 3 . 1 1 72 72 MET CA C 72 56.030 56.030 57.407 -1.377 19036 1737 1 3 . 1 1 72 72 MET CB C 72 30.934 30.934 31.237 -0.303 19036 1738 1 3 . 1 1 72 72 MET H H 72 8.066 8.066 7.504 0.562 19036 1739 1 3 . 1 1 73 73 ALA N N 73 121.670 121.670 121.205 0.465 19036 1740 1 3 . 1 1 73 73 ALA HA H 73 4.103 4.103 4.242 -0.139 19036 1741 1 3 . 1 1 73 73 ALA CA C 73 54.517 54.517 53.650 0.867 19036 1742 1 3 . 1 1 73 73 ALA CB C 73 18.381 18.381 18.718 -0.337 19036 1743 1 3 . 1 1 73 73 ALA H H 73 8.276 8.276 7.714 0.562 19036 1744 1 3 . 1 1 74 74 ARG N N 74 117.220 117.220 119.120 -1.900 19036 1745 1 3 . 1 1 74 74 ARG HA H 74 4.113 4.113 3.920 0.193 19036 1746 1 3 . 1 1 74 74 ARG CA C 74 58.327 58.327 59.097 -0.770 19036 1747 1 3 . 1 1 74 74 ARG CB C 74 30.378 30.378 29.765 0.613 19036 1748 1 3 . 1 1 74 74 ARG H H 74 7.539 7.539 8.198 -0.659 19036 1749 1 3 . 1 1 75 75 LYS N N 75 119.120 119.120 120.528 -1.408 19036 1750 1 3 . 1 1 75 75 LYS HA H 75 4.261 4.261 4.015 0.246 19036 1751 1 3 . 1 1 75 75 LYS CA C 75 56.990 56.990 59.254 -2.264 19036 1752 1 3 . 1 1 75 75 LYS CB C 75 32.412 32.412 32.094 0.318 19036 1753 1 3 . 1 1 75 75 LYS H H 75 7.833 7.833 7.384 0.449 19036 1754 1 3 . 1 1 76 76 MET N N 76 118.860 118.860 117.512 1.348 19036 1755 1 3 . 1 1 76 76 MET HA H 76 4.370 4.370 4.219 0.151 19036 1756 1 3 . 1 1 76 76 MET CA C 76 56.700 56.700 57.865 -1.165 19036 1757 1 3 . 1 1 76 76 MET CB C 76 32.981 32.981 32.862 0.119 19036 1758 1 3 . 1 1 76 76 MET H H 76 8.000 8.000 7.828 0.172 19036 1759 1 3 . 1 1 77 77 LYS N N 77 120.200 120.200 117.415 2.785 19036 1760 1 3 . 1 1 77 77 LYS HA H 77 4.352 4.352 4.170 0.182 19036 1761 1 3 . 1 1 77 77 LYS CA C 77 56.709 56.709 57.079 -0.370 19036 1762 1 3 . 1 1 77 77 LYS CB C 77 33.138 33.138 33.224 -0.086 19036 1763 1 3 . 1 1 77 77 LYS H H 77 7.866 7.866 7.772 0.094 19036 1764 1 3 . 1 1 78 78 ASP N N 78 121.430 121.430 117.650 3.780 19036 1765 1 3 . 1 1 78 78 ASP HA H 78 4.691 4.691 4.408 0.283 19036 1766 1 3 . 1 1 78 78 ASP CA C 78 54.771 54.771 55.261 -0.490 19036 1767 1 3 . 1 1 78 78 ASP CB C 78 41.222 41.222 39.314 1.908 19036 1768 1 3 . 1 1 78 78 ASP H H 78 8.250 8.250 8.446 -0.196 19036 1769 1 3 . 1 1 79 79 THR N N 79 114.390 114.390 113.345 1.045 19036 1770 1 3 . 1 1 79 79 THR HA H 79 4.337 4.337 4.227 0.110 19036 1771 1 3 . 1 1 79 79 THR CA C 79 62.349 62.349 63.485 -1.136 19036 1772 1 3 . 1 1 79 79 THR CB C 79 69.875 69.875 68.911 0.964 19036 1773 1 3 . 1 1 79 79 THR H H 79 8.093 8.093 8.196 -0.103 19036 1774 1 3 . 1 1 80 80 ASP N N 80 123.460 123.460 120.066 3.394 19036 1775 1 3 . 1 1 80 80 ASP HA H 80 4.721 4.721 4.757 -0.036 19036 1776 1 3 . 1 1 80 80 ASP CA C 80 54.655 54.655 55.791 -1.136 19036 1777 1 3 . 1 1 80 80 ASP CB C 80 41.416 41.416 40.748 0.667 19036 1778 1 3 . 1 1 80 80 ASP H H 80 8.455 8.455 8.362 0.093 19036 1779 1 3 . 1 1 81 81 SER N N 81 117.440 117.440 115.912 1.528 19036 1780 1 3 . 1 1 81 81 SER HA H 81 4.455 4.455 4.063 0.392 19036 1781 1 3 . 1 1 81 81 SER CA C 81 59.571 59.571 61.048 -1.477 19036 1782 1 3 . 1 1 81 81 SER CB C 81 63.825 63.825 63.234 0.591 19036 1783 1 3 . 1 1 81 81 SER H H 81 8.505 8.505 8.383 0.122 19036 1784 1 3 . 1 1 82 82 GLU N N 82 122.380 122.380 121.521 0.859 19036 1785 1 3 . 1 1 82 82 GLU HA H 82 4.185 4.185 3.947 0.238 19036 1786 1 3 . 1 1 82 82 GLU CA C 82 58.800 58.800 59.511 -0.711 19036 1787 1 3 . 1 1 82 82 GLU CB C 82 29.660 29.660 29.381 0.279 19036 1788 1 3 . 1 1 82 82 GLU H H 82 8.508 8.508 8.141 0.367 19036 1789 1 3 . 1 1 83 83 GLU N N 83 119.670 119.670 119.200 0.470 19036 1790 1 3 . 1 1 83 83 GLU HA H 83 4.085 4.085 4.058 0.027 19036 1791 1 3 . 1 1 83 83 GLU CA C 83 59.576 59.576 59.218 0.358 19036 1792 1 3 . 1 1 83 83 GLU CB C 83 29.410 29.410 29.604 -0.194 19036 1793 1 3 . 1 1 83 83 GLU H H 83 8.297 8.297 7.916 0.381 19036 1794 1 3 . 1 1 84 84 GLU N N 84 118.700 118.700 118.958 -0.258 19036 1795 1 3 . 1 1 84 84 GLU HA H 84 4.135 4.135 4.186 -0.051 19036 1796 1 3 . 1 1 84 84 GLU CA C 84 59.523 59.523 58.544 0.979 19036 1797 1 3 . 1 1 84 84 GLU CB C 84 29.607 29.607 29.517 0.090 19036 1798 1 3 . 1 1 84 84 GLU H H 84 8.218 8.218 7.538 0.680 19036 1799 1 3 . 1 1 85 85 ILE N N 85 121.500 121.500 119.732 1.768 19036 1800 1 3 . 1 1 85 85 ILE HA H 85 3.981 3.981 3.774 0.207 19036 1801 1 3 . 1 1 85 85 ILE CA C 85 64.941 64.941 65.696 -0.755 19036 1802 1 3 . 1 1 85 85 ILE CB C 85 37.484 37.484 37.771 -0.287 19036 1803 1 3 . 1 1 85 85 ILE H H 85 7.980 7.980 8.030 -0.050 19036 1804 1 3 . 1 1 86 86 ARG N N 86 121.710 121.710 118.426 3.284 19036 1805 1 3 . 1 1 86 86 ARG HA H 86 4.186 4.186 4.304 -0.118 19036 1806 1 3 . 1 1 86 86 ARG CA C 86 60.202 60.202 59.544 0.658 19036 1807 1 3 . 1 1 86 86 ARG CB C 86 30.026 30.026 30.000 0.026 19036 1808 1 3 . 1 1 86 86 ARG H H 86 8.471 8.471 7.797 0.674 19036 1809 1 3 . 1 1 87 87 GLU N N 87 118.710 118.710 119.784 -1.074 19036 1810 1 3 . 1 1 87 87 GLU HA H 87 4.179 4.179 4.238 -0.059 19036 1811 1 3 . 1 1 87 87 GLU CA C 87 58.995 58.995 58.827 0.168 19036 1812 1 3 . 1 1 87 87 GLU CB C 87 29.201 29.201 29.288 -0.087 19036 1813 1 3 . 1 1 87 87 GLU H H 87 8.211 8.211 7.743 0.468 19036 1814 1 3 . 1 1 88 88 ALA N N 88 121.910 121.910 122.233 -0.323 19036 1815 1 3 . 1 1 88 88 ALA HA H 88 4.180 4.180 4.172 0.008 19036 1816 1 3 . 1 1 88 88 ALA CA C 88 55.275 55.275 55.029 0.246 19036 1817 1 3 . 1 1 88 88 ALA CB C 88 17.936 17.936 18.203 -0.267 19036 1818 1 3 . 1 1 88 88 ALA H H 88 8.037 8.037 8.146 -0.109 19036 1819 1 3 . 1 1 89 89 PHE N N 89 118.790 118.790 119.571 -0.781 19036 1820 1 3 . 1 1 89 89 PHE HA H 89 3.188 3.188 3.771 -0.583 19036 1821 1 3 . 1 1 89 89 PHE CA C 89 62.283 62.283 61.170 1.113 19036 1822 1 3 . 1 1 89 89 PHE CB C 89 39.238 39.238 39.012 0.226 19036 1823 1 3 . 1 1 89 89 PHE H H 89 8.623 8.623 7.873 0.750 19036 1824 1 3 . 1 1 90 90 ARG N N 90 115.890 115.890 118.935 -3.045 19036 1825 1 3 . 1 1 90 90 ARG HA H 90 3.906 3.906 4.107 -0.201 19036 1826 1 3 . 1 1 90 90 ARG CA C 90 58.950 58.950 59.660 -0.709 19036 1827 1 3 . 1 1 90 90 ARG CB C 90 30.414 30.414 30.071 0.343 19036 1828 1 3 . 1 1 90 90 ARG H H 90 7.775 7.775 8.129 -0.354 19036 1829 1 3 . 1 1 91 91 VAL N N 91 118.320 118.320 117.793 0.527 19036 1830 1 3 . 1 1 91 91 VAL HA H 91 3.515 3.515 3.724 -0.209 19036 1831 1 3 . 1 1 91 91 VAL CA C 91 65.726 65.726 65.094 0.632 19036 1832 1 3 . 1 1 91 91 VAL CB C 91 31.579 31.579 31.577 0.002 19036 1833 1 3 . 1 1 91 91 VAL H H 91 7.538 7.538 7.302 0.236 19036 1834 1 3 . 1 1 92 92 PHE N N 92 115.750 115.750 116.608 -0.858 19036 1835 1 3 . 1 1 92 92 PHE HA H 92 4.247 4.247 4.134 0.113 19036 1836 1 3 . 1 1 92 92 PHE CA C 92 60.241 60.241 60.607 -0.366 19036 1837 1 3 . 1 1 92 92 PHE CB C 92 40.951 40.951 39.081 1.870 19036 1838 1 3 . 1 1 92 92 PHE H H 92 7.381 7.381 7.654 -0.273 19036 1839 1 3 . 1 1 93 93 ASP N N 93 116.590 116.590 118.081 -1.491 19036 1840 1 3 . 1 1 93 93 ASP HA H 93 4.590 4.590 4.781 -0.191 19036 1841 1 3 . 1 1 93 93 ASP CA C 93 52.466 52.466 52.847 -0.381 19036 1842 1 3 . 1 1 93 93 ASP CB C 93 38.478 38.478 39.466 -0.988 19036 1843 1 3 . 1 1 93 93 ASP H H 93 7.900 7.900 8.007 -0.107 19036 1844 1 3 . 1 1 94 94 LYS N N 94 126.160 126.160 125.360 0.800 19036 1845 1 3 . 1 1 94 94 LYS HA H 94 3.945 3.945 3.974 -0.029 19036 1846 1 3 . 1 1 94 94 LYS CA C 94 59.072 59.072 58.496 0.576 19036 1847 1 3 . 1 1 94 94 LYS CB C 94 32.589 32.589 32.724 -0.135 19036 1848 1 3 . 1 1 94 94 LYS H H 94 7.790 7.790 7.911 -0.121 19036 1849 1 3 . 1 1 95 95 ASP N N 95 114.060 114.060 115.998 -1.938 19036 1850 1 3 . 1 1 95 95 ASP HA H 95 4.579 4.579 4.493 0.086 19036 1851 1 3 . 1 1 95 95 ASP CA C 95 53.120 53.120 54.880 -1.760 19036 1852 1 3 . 1 1 95 95 ASP CB C 95 40.043 40.043 40.677 -0.634 19036 1853 1 3 . 1 1 95 95 ASP H H 95 8.237 8.237 9.032 -0.795 19036 1854 1 3 . 1 1 96 96 GLY N N 96 109.410 109.410 108.156 1.254 19036 1855 1 3 . 1 1 96 96 GLY CA C 96 47.263 47.263 45.932 1.331 19036 1856 1 3 . 1 1 96 96 GLY H H 96 7.839 7.839 8.400 -0.561 19036 1857 1 3 . 1 1 97 97 ASN N N 97 119.630 119.630 120.155 -0.525 19036 1858 1 3 . 1 1 97 97 ASN HA H 97 4.659 4.659 4.654 0.005 19036 1859 1 3 . 1 1 97 97 ASN CA C 97 52.681 52.681 52.948 -0.267 19036 1860 1 3 . 1 1 97 97 ASN CB C 97 38.311 38.311 38.825 -0.514 19036 1861 1 3 . 1 1 97 97 ASN H H 97 8.377 8.377 8.307 0.070 19036 1862 1 3 . 1 1 98 98 GLY N N 98 112.970 112.970 107.405 5.565 19036 1863 1 3 . 1 1 98 98 GLY CA C 98 45.183 45.183 45.485 -0.302 19036 1864 1 3 . 1 1 98 98 GLY H H 98 10.687 10.687 8.653 2.034 19036 1865 1 3 . 1 1 99 99 TYR N N 99 116.080 116.080 118.909 -2.829 19036 1866 1 3 . 1 1 99 99 TYR HA H 99 5.065 5.065 5.146 -0.081 19036 1867 1 3 . 1 1 99 99 TYR CA C 99 56.198 56.198 56.877 -0.679 19036 1868 1 3 . 1 1 99 99 TYR CB C 99 43.110 43.110 41.487 1.623 19036 1869 1 3 . 1 1 99 99 TYR H H 99 7.671 7.671 8.104 -0.433 19036 1870 1 3 . 1 1 100 100 ILE N N 100 127.320 127.320 124.601 2.719 19036 1871 1 3 . 1 1 100 100 ILE HA H 100 4.780 4.780 4.563 0.217 19036 1872 1 3 . 1 1 100 100 ILE CA C 100 60.731 60.731 60.843 -0.112 19036 1873 1 3 . 1 1 100 100 ILE CB C 100 39.050 39.050 38.791 0.259 19036 1874 1 3 . 1 1 100 100 ILE H H 100 10.163 10.163 8.990 1.173 19036 1875 1 3 . 1 1 101 101 SER N N 101 123.810 123.810 123.198 0.612 19036 1876 1 3 . 1 1 101 101 SER HA H 101 4.898 4.898 4.811 0.087 19036 1877 1 3 . 1 1 101 101 SER CA C 101 55.840 55.840 56.556 -0.716 19036 1878 1 3 . 1 1 101 101 SER CB C 101 66.799 66.799 65.752 1.047 19036 1879 1 3 . 1 1 101 101 SER H H 101 8.970 8.970 8.014 0.956 19036 1880 1 3 . 1 1 102 102 ALA N N 102 123.130 123.130 124.175 -1.045 19036 1881 1 3 . 1 1 102 102 ALA HA H 102 3.927 3.927 4.126 -0.199 19036 1882 1 3 . 1 1 102 102 ALA CA C 102 56.023 56.023 55.140 0.883 19036 1883 1 3 . 1 1 102 102 ALA CB C 102 18.139 18.139 18.315 -0.176 19036 1884 1 3 . 1 1 102 102 ALA H H 102 9.269 9.269 8.902 0.367 19036 1885 1 3 . 1 1 103 103 ALA N N 103 118.460 118.460 120.605 -2.145 19036 1886 1 3 . 1 1 103 103 ALA HA H 103 4.058 4.058 4.122 -0.064 19036 1887 1 3 . 1 1 103 103 ALA CA C 103 55.250 55.250 54.650 0.600 19036 1888 1 3 . 1 1 103 103 ALA CB C 103 18.492 18.492 18.052 0.440 19036 1889 1 3 . 1 1 103 103 ALA H H 103 8.294 8.294 8.309 -0.015 19036 1890 1 3 . 1 1 104 104 GLU N N 104 120.070 120.070 119.440 0.630 19036 1891 1 3 . 1 1 104 104 GLU HA H 104 4.073 4.073 4.090 -0.017 19036 1892 1 3 . 1 1 104 104 GLU CA C 104 59.567 59.567 58.901 0.666 19036 1893 1 3 . 1 1 104 104 GLU CB C 104 29.262 29.262 29.692 -0.430 19036 1894 1 3 . 1 1 104 104 GLU H H 104 7.939 7.939 7.573 0.366 19036 1895 1 3 . 1 1 105 105 LEU N N 105 120.990 120.990 120.387 0.603 19036 1896 1 3 . 1 1 105 105 LEU HA H 105 4.133 4.133 4.069 0.064 19036 1897 1 3 . 1 1 105 105 LEU CA C 105 58.618 58.618 57.860 0.758 19036 1898 1 3 . 1 1 105 105 LEU CB C 105 42.210 42.210 42.002 0.208 19036 1899 1 3 . 1 1 105 105 LEU H H 105 8.534 8.534 7.604 0.930 19036 1900 1 3 . 1 1 106 106 ARG N N 106 117.580 117.580 117.861 -0.281 19036 1901 1 3 . 1 1 106 106 ARG HA H 106 3.832 3.832 4.016 -0.184 19036 1902 1 3 . 1 1 106 106 ARG CA C 106 60.041 60.041 59.426 0.615 19036 1903 1 3 . 1 1 106 106 ARG CB C 106 30.648 30.648 29.838 0.810 19036 1904 1 3 . 1 1 106 106 ARG H H 106 8.667 8.667 7.512 1.155 19036 1905 1 3 . 1 1 107 107 HIS N N 107 118.880 118.880 119.729 -0.849 19036 1906 1 3 . 1 1 107 107 HIS HA H 107 4.338 4.338 4.276 0.062 19036 1907 1 3 . 1 1 107 107 HIS CA C 107 59.771 59.771 58.710 1.061 19036 1908 1 3 . 1 1 107 107 HIS CB C 107 30.491 30.491 29.465 1.026 19036 1909 1 3 . 1 1 107 107 HIS H H 107 8.071 8.071 7.605 0.466 19036 1910 1 3 . 1 1 108 108 VAL N N 108 119.170 119.170 118.488 0.682 19036 1911 1 3 . 1 1 108 108 VAL HA H 108 3.556 3.556 3.437 0.119 19036 1912 1 3 . 1 1 108 108 VAL CA C 108 66.580 66.580 66.463 0.117 19036 1913 1 3 . 1 1 108 108 VAL CB C 108 31.920 31.920 31.218 0.702 19036 1914 1 3 . 1 1 108 108 VAL H H 108 8.107 8.107 7.419 0.688 19036 1915 1 3 . 1 1 109 109 MET N N 109 116.290 116.290 118.188 -1.898 19036 1916 1 3 . 1 1 109 109 MET HA H 109 4.326 4.326 4.055 0.271 19036 1917 1 3 . 1 1 109 109 MET CA C 109 57.824 57.824 59.565 -1.741 19036 1918 1 3 . 1 1 109 109 MET CB C 109 31.052 31.052 32.418 -1.366 19036 1919 1 3 . 1 1 109 109 MET H H 109 8.280 8.280 7.631 0.649 19036 1920 1 3 . 1 1 110 110 THR N N 110 115.190 115.190 116.928 -1.738 19036 1921 1 3 . 1 1 110 110 THR HA H 110 4.166 4.166 4.159 0.007 19036 1922 1 3 . 1 1 110 110 THR CA C 110 66.182 66.182 67.070 -0.888 19036 1923 1 3 . 1 1 110 110 THR CB C 110 68.951 68.951 68.687 0.264 19036 1924 1 3 . 1 1 110 110 THR H H 110 8.244 8.244 8.108 0.136 19036 1925 1 3 . 1 1 111 111 ASN N N 111 122.310 122.310 119.807 2.503 19036 1926 1 3 . 1 1 111 111 ASN HA H 111 4.502 4.502 4.531 -0.029 19036 1927 1 3 . 1 1 111 111 ASN CA C 111 55.931 55.931 55.593 0.338 19036 1928 1 3 . 1 1 111 111 ASN CB C 111 38.585 38.585 38.172 0.413 19036 1929 1 3 . 1 1 111 111 ASN H H 111 7.904 7.904 7.867 0.037 19036 1930 1 3 . 1 1 112 112 LEU N N 112 118.850 118.850 118.145 0.705 19036 1931 1 3 . 1 1 112 112 LEU HA H 112 4.354 4.354 4.543 -0.189 19036 1932 1 3 . 1 1 112 112 LEU CA C 112 55.274 55.274 54.477 0.797 19036 1933 1 3 . 1 1 112 112 LEU CB C 112 42.218 42.218 41.709 0.509 19036 1934 1 3 . 1 1 112 112 LEU H H 112 7.873 7.873 7.301 0.572 19036 1935 1 3 . 1 1 113 113 GLY N N 113 106.700 106.700 107.561 -0.861 19036 1936 1 3 . 1 1 113 113 GLY CA C 113 45.596 45.596 45.406 0.190 19036 1937 1 3 . 1 1 113 113 GLY H H 113 7.844 7.844 7.813 0.031 19036 1938 1 3 . 1 1 114 114 GLU N N 114 120.140 120.140 121.270 -1.130 19036 1939 1 3 . 1 1 114 114 GLU HA H 114 4.459 4.459 4.649 -0.190 19036 1940 1 3 . 1 1 114 114 GLU CA C 114 55.046 55.046 54.930 0.116 19036 1941 1 3 . 1 1 114 114 GLU CB C 114 30.469 30.469 32.231 -1.762 19036 1942 1 3 . 1 1 114 114 GLU H H 114 7.946 7.946 8.111 -0.165 19036 1943 1 3 . 1 1 115 115 LYS N N 115 124.130 124.130 122.669 1.461 19036 1944 1 3 . 1 1 115 115 LYS HA H 115 4.394 4.394 4.530 -0.136 19036 1945 1 3 . 1 1 115 115 LYS CA C 115 55.794 55.794 56.492 -0.698 19036 1946 1 3 . 1 1 115 115 LYS CB C 115 32.191 32.191 33.695 -1.504 19036 1947 1 3 . 1 1 115 115 LYS H H 115 8.646 8.646 8.460 0.186 19036 1948 1 3 . 1 1 116 116 LEU N N 116 124.840 124.840 125.748 -0.908 19036 1949 1 3 . 1 1 116 116 LEU HA H 116 4.793 4.793 4.855 -0.062 19036 1950 1 3 . 1 1 116 116 LEU CA C 116 54.127 54.127 52.902 1.225 19036 1951 1 3 . 1 1 116 116 LEU CB C 116 44.934 44.934 44.067 0.867 19036 1952 1 3 . 1 1 116 116 LEU H H 116 8.097 8.097 8.292 -0.195 19036 1953 1 3 . 1 1 117 117 THR N N 117 114.690 114.690 110.225 4.465 19036 1954 1 3 . 1 1 117 117 THR HA H 117 4.492 4.492 4.505 -0.013 19036 1955 1 3 . 1 1 117 117 THR CA C 117 60.751 60.751 60.717 0.034 19036 1956 1 3 . 1 1 117 117 THR CB C 117 71.303 71.303 71.070 0.233 19036 1957 1 3 . 1 1 117 117 THR H H 117 9.252 9.252 7.897 1.355 19036 1958 1 3 . 1 1 118 118 ASP N N 118 121.130 121.130 122.491 -1.361 19036 1959 1 3 . 1 1 118 118 ASP HA H 118 4.232 4.232 4.272 -0.040 19036 1960 1 3 . 1 1 118 118 ASP CA C 118 58.080 58.080 57.371 0.709 19036 1961 1 3 . 1 1 118 118 ASP CB C 118 39.870 39.870 40.624 -0.755 19036 1962 1 3 . 1 1 118 118 ASP H H 118 8.936 8.936 8.901 0.035 19036 1963 1 3 . 1 1 119 119 GLU N N 119 119.110 119.110 119.377 -0.267 19036 1964 1 3 . 1 1 119 119 GLU HA H 119 4.117 4.117 4.074 0.043 19036 1965 1 3 . 1 1 119 119 GLU CA C 119 60.043 60.043 59.452 0.591 19036 1966 1 3 . 1 1 119 119 GLU CB C 119 29.135 29.135 29.327 -0.192 19036 1967 1 3 . 1 1 119 119 GLU H H 119 8.715 8.715 8.669 0.046 19036 1968 1 3 . 1 1 120 120 GLU N N 120 120.680 120.680 119.028 1.652 19036 1969 1 3 . 1 1 120 120 GLU HA H 120 4.062 4.062 4.094 -0.032 19036 1970 1 3 . 1 1 120 120 GLU CA C 120 59.138 59.138 59.230 -0.092 19036 1971 1 3 . 1 1 120 120 GLU CB C 120 30.420 30.420 29.555 0.865 19036 1972 1 3 . 1 1 120 120 GLU H H 120 7.809 7.809 7.550 0.260 19036 1973 1 3 . 1 1 121 121 VAL N N 121 120.660 120.660 119.788 0.872 19036 1974 1 3 . 1 1 121 121 VAL HA H 121 3.637 3.637 3.758 -0.121 19036 1975 1 3 . 1 1 121 121 VAL CA C 121 67.003 67.003 66.769 0.234 19036 1976 1 3 . 1 1 121 121 VAL CB C 121 31.463 31.463 31.278 0.185 19036 1977 1 3 . 1 1 121 121 VAL H H 121 8.079 8.079 8.042 0.037 19036 1978 1 3 . 1 1 122 122 ASP N N 122 119.590 119.590 120.598 -1.008 19036 1979 1 3 . 1 1 122 122 ASP HA H 122 4.349 4.349 4.334 0.015 19036 1980 1 3 . 1 1 122 122 ASP CA C 122 57.718 57.718 57.850 -0.132 19036 1981 1 3 . 1 1 122 122 ASP CB C 122 40.593 40.593 40.790 -0.197 19036 1982 1 3 . 1 1 122 122 ASP H H 122 8.124 8.124 8.673 -0.549 19036 1983 1 3 . 1 1 123 123 GLU N N 123 119.760 119.760 119.594 0.166 19036 1984 1 3 . 1 1 123 123 GLU HA H 123 4.051 4.051 3.976 0.075 19036 1985 1 3 . 1 1 123 123 GLU CA C 123 59.144 59.144 59.116 0.028 19036 1986 1 3 . 1 1 123 123 GLU CB C 123 29.161 29.161 29.677 -0.516 19036 1987 1 3 . 1 1 123 123 GLU H H 123 8.034 8.034 8.257 -0.223 19036 1988 1 3 . 1 1 124 124 MET N N 124 119.580 119.580 120.785 -1.205 19036 1989 1 3 . 1 1 124 124 MET HA H 124 4.024 4.024 4.108 -0.084 19036 1990 1 3 . 1 1 124 124 MET CA C 124 59.353 59.353 59.281 0.072 19036 1991 1 3 . 1 1 124 124 MET CB C 124 33.497 33.497 32.844 0.653 19036 1992 1 3 . 1 1 124 124 MET H H 124 7.871 7.871 7.713 0.158 19036 1993 1 3 . 1 1 125 125 ILE N N 125 118.210 118.210 118.755 -0.545 19036 1994 1 3 . 1 1 125 125 ILE HA H 125 3.524 3.524 3.675 -0.151 19036 1995 1 3 . 1 1 125 125 ILE CA C 125 63.855 63.855 64.974 -1.119 19036 1996 1 3 . 1 1 125 125 ILE CB C 125 36.457 36.457 37.029 -0.572 19036 1997 1 3 . 1 1 125 125 ILE H H 125 7.953 7.953 7.925 0.028 19036 1998 1 3 . 1 1 126 126 ARG N N 126 118.420 118.420 120.293 -1.873 19036 1999 1 3 . 1 1 126 126 ARG HA H 126 4.038 4.038 3.939 0.099 19036 2000 1 3 . 1 1 126 126 ARG CA C 126 59.809 59.809 59.486 0.323 19036 2001 1 3 . 1 1 126 126 ARG CB C 126 30.311 30.311 30.362 -0.051 19036 2002 1 3 . 1 1 126 126 ARG H H 126 8.228 8.228 7.866 0.362 19036 2003 1 3 . 1 1 127 127 GLU N N 127 115.830 115.830 117.130 -1.300 19036 2004 1 3 . 1 1 127 127 GLU HA H 127 4.026 4.026 4.177 -0.151 19036 2005 1 3 . 1 1 127 127 GLU CA C 127 58.489 58.489 58.523 -0.034 19036 2006 1 3 . 1 1 127 127 GLU CB C 127 29.435 29.435 30.028 -0.593 19036 2007 1 3 . 1 1 127 127 GLU H H 127 7.950 7.950 7.921 0.029 19036 2008 1 3 . 1 1 128 128 ALA N N 128 119.010 119.010 119.760 -0.750 19036 2009 1 3 . 1 1 128 128 ALA HA H 128 4.444 4.444 4.205 0.239 19036 2010 1 3 . 1 1 128 128 ALA CA C 128 52.125 52.125 52.967 -0.842 19036 2011 1 3 . 1 1 128 128 ALA CB C 128 21.322 21.322 19.370 1.952 19036 2012 1 3 . 1 1 128 128 ALA H H 128 7.386 7.386 7.563 -0.177 19036 2013 1 3 . 1 1 129 129 ASP N N 129 117.790 117.790 118.676 -0.886 19036 2014 1 3 . 1 1 129 129 ASP HA H 129 4.516 4.516 4.670 -0.154 19036 2015 1 3 . 1 1 129 129 ASP CA C 129 54.190 54.190 54.420 -0.230 19036 2016 1 3 . 1 1 129 129 ASP CB C 129 40.587 40.587 39.888 0.699 19036 2017 1 3 . 1 1 129 129 ASP H H 129 7.913 7.913 7.808 0.105 19036 2018 1 3 . 1 1 130 130 ILE N N 130 127.770 127.770 125.204 2.566 19036 2019 1 3 . 1 1 130 130 ILE HA H 130 3.938 3.938 4.055 -0.117 19036 2020 1 3 . 1 1 130 130 ILE CA C 130 63.431 63.431 62.719 0.712 19036 2021 1 3 . 1 1 130 130 ILE CB C 130 38.748 38.748 38.605 0.143 19036 2022 1 3 . 1 1 130 130 ILE H H 130 8.332 8.332 8.424 -0.092 19036 2023 1 3 . 1 1 131 131 ASP N N 131 116.680 116.680 119.468 -2.788 19036 2024 1 3 . 1 1 131 131 ASP HA H 131 4.493 4.493 4.507 -0.014 19036 2025 1 3 . 1 1 131 131 ASP CA C 131 53.734 53.734 54.561 -0.827 19036 2026 1 3 . 1 1 131 131 ASP CB C 131 40.062 40.062 41.410 -1.348 19036 2027 1 3 . 1 1 131 131 ASP H H 131 8.371 8.371 9.165 -0.794 19036 2028 1 3 . 1 1 132 132 GLY N N 132 108.680 108.680 108.941 -0.261 19036 2029 1 3 . 1 1 132 132 GLY CA C 132 47.587 47.587 45.342 2.245 19036 2030 1 3 . 1 1 132 132 GLY H H 132 7.636 7.636 8.632 -0.996 19036 2031 1 3 . 1 1 133 133 ASP N N 133 120.930 120.930 120.763 0.167 19036 2032 1 3 . 1 1 133 133 ASP HA H 133 4.530 4.530 4.548 -0.018 19036 2033 1 3 . 1 1 133 133 ASP CA C 133 53.845 53.845 53.593 0.252 19036 2034 1 3 . 1 1 133 133 ASP CB C 133 40.322 40.322 40.741 -0.419 19036 2035 1 3 . 1 1 133 133 ASP H H 133 8.378 8.378 8.745 -0.367 19036 2036 1 3 . 1 1 134 134 GLY N N 134 112.990 112.990 108.358 4.632 19036 2037 1 3 . 1 1 134 134 GLY CA C 134 45.855 45.855 45.431 0.424 19036 2038 1 3 . 1 1 134 134 GLY H H 134 10.401 10.401 9.044 1.357 19036 2039 1 3 . 1 1 135 135 GLN N N 135 115.490 115.490 117.323 -1.833 19036 2040 1 3 . 1 1 135 135 GLN HA H 135 4.887 4.887 4.712 0.175 19036 2041 1 3 . 1 1 135 135 GLN CA C 135 53.289 53.289 53.835 -0.546 19036 2042 1 3 . 1 1 135 135 GLN CB C 135 32.515 32.515 33.458 -0.943 19036 2043 1 3 . 1 1 135 135 GLN H H 135 8.007 8.007 8.588 -0.581 19036 2044 1 3 . 1 1 136 136 VAL N N 136 125.480 125.480 122.660 2.820 19036 2045 1 3 . 1 1 136 136 VAL HA H 136 5.213 5.213 4.673 0.540 19036 2046 1 3 . 1 1 136 136 VAL CA C 136 61.784 61.784 61.364 0.420 19036 2047 1 3 . 1 1 136 136 VAL CB C 136 33.839 33.839 32.335 1.504 19036 2048 1 3 . 1 1 136 136 VAL H H 136 9.167 9.167 8.111 1.056 19036 2049 1 3 . 1 1 137 137 ASN N N 137 129.140 129.140 125.514 3.626 19036 2050 1 3 . 1 1 137 137 ASN HA H 137 5.288 5.288 5.274 0.014 19036 2051 1 3 . 1 1 137 137 ASN CA C 137 51.176 51.176 50.890 0.286 19036 2052 1 3 . 1 1 137 137 ASN CB C 137 38.446 38.446 40.279 -1.833 19036 2053 1 3 . 1 1 137 137 ASN H H 137 9.576 9.576 8.066 1.510 19036 2054 1 3 . 1 1 138 138 TYR N N 138 118.600 118.600 121.021 -2.421 19036 2055 1 3 . 1 1 138 138 TYR HA H 138 3.456 3.456 4.073 -0.617 19036 2056 1 3 . 1 1 138 138 TYR CA C 138 62.842 62.842 63.374 -0.532 19036 2057 1 3 . 1 1 138 138 TYR CB C 138 37.805 37.805 37.983 -0.178 19036 2058 1 3 . 1 1 138 138 TYR H H 138 8.464 8.464 8.779 -0.315 19036 2059 1 3 . 1 1 139 139 GLU N N 139 118.470 118.470 119.273 -0.803 19036 2060 1 3 . 1 1 139 139 GLU HA H 139 3.686 3.686 3.962 -0.276 19036 2061 1 3 . 1 1 139 139 GLU CA C 139 60.456 60.456 60.162 0.294 19036 2062 1 3 . 1 1 139 139 GLU CB C 139 29.008 29.008 28.666 0.342 19036 2063 1 3 . 1 1 139 139 GLU H H 139 8.152 8.152 8.772 -0.620 19036 2064 1 3 . 1 1 140 140 GLU N N 140 119.970 119.970 119.769 0.201 19036 2065 1 3 . 1 1 140 140 GLU HA H 140 4.025 4.025 4.104 -0.079 19036 2066 1 3 . 1 1 140 140 GLU CA C 140 58.655 58.655 59.198 -0.543 19036 2067 1 3 . 1 1 140 140 GLU CB C 140 29.868 29.868 29.498 0.370 19036 2068 1 3 . 1 1 140 140 GLU H H 140 8.815 8.815 8.179 0.636 19036 2069 1 3 . 1 1 141 141 PHE N N 141 124.860 124.860 121.781 3.079 19036 2070 1 3 . 1 1 141 141 PHE HA H 141 4.000 4.000 4.228 -0.228 19036 2071 1 3 . 1 1 141 141 PHE CA C 141 61.733 61.733 61.046 0.687 19036 2072 1 3 . 1 1 141 141 PHE CB C 141 40.089 40.089 39.088 1.001 19036 2073 1 3 . 1 1 141 141 PHE H H 141 8.927 8.927 8.697 0.230 19036 2074 1 3 . 1 1 142 142 VAL N N 142 119.400 119.400 118.632 0.768 19036 2075 1 3 . 1 1 142 142 VAL HA H 142 3.152 3.152 3.315 -0.163 19036 2076 1 3 . 1 1 142 142 VAL CA C 142 67.139 67.139 66.491 0.648 19036 2077 1 3 . 1 1 142 142 VAL CB C 142 31.622 31.622 31.742 -0.120 19036 2078 1 3 . 1 1 142 142 VAL H H 142 8.635 8.635 8.489 0.146 19036 2079 1 3 . 1 1 143 143 GLN N N 143 118.420 118.420 118.055 0.365 19036 2080 1 3 . 1 1 143 143 GLN HA H 143 3.902 3.902 4.074 -0.172 19036 2081 1 3 . 1 1 143 143 GLN CA C 143 58.894 58.894 57.811 1.083 19036 2082 1 3 . 1 1 143 143 GLN CB C 143 28.186 28.186 28.802 -0.616 19036 2083 1 3 . 1 1 143 143 GLN H H 143 7.516 7.516 7.838 -0.322 19036 2084 1 3 . 1 1 144 144 MET N N 144 119.410 119.410 120.546 -1.136 19036 2085 1 3 . 1 1 144 144 MET HA H 144 4.113 4.113 4.106 0.007 19036 2086 1 3 . 1 1 144 144 MET CA C 144 58.360 58.360 59.100 -0.740 19036 2087 1 3 . 1 1 144 144 MET CB C 144 33.188 33.188 32.830 0.358 19036 2088 1 3 . 1 1 144 144 MET H H 144 7.867 7.867 8.508 -0.641 19036 2089 1 3 . 1 1 145 145 MET N N 145 114.770 114.770 111.467 3.303 19036 2090 1 3 . 1 1 145 145 MET HA H 145 4.263 4.263 4.398 -0.135 19036 2091 1 3 . 1 1 145 145 MET CA C 145 55.607 55.607 56.673 -1.066 19036 2092 1 3 . 1 1 145 145 MET CB C 145 32.224 32.224 31.952 0.272 19036 2093 1 3 . 1 1 145 145 MET H H 145 7.796 7.796 7.446 0.350 19036 2094 1 3 . 1 1 146 146 THR N N 146 111.500 111.500 117.589 -6.089 19036 2095 1 3 . 1 1 146 146 THR HA H 146 4.325 4.325 4.387 -0.062 19036 2096 1 3 . 1 1 146 146 THR CA C 146 62.420 62.420 62.286 0.134 19036 2097 1 3 . 1 1 146 146 THR CB C 146 70.327 70.327 67.655 2.672 19036 2098 1 3 . 1 1 146 146 THR H H 146 7.591 7.591 7.478 0.113 19036 2099 1 3 . 1 1 147 147 ALA N N 147 127.110 127.110 124.010 3.100 19036 2100 1 3 . 1 1 147 147 ALA HA H 147 4.319 4.319 4.624 -0.305 19036 2101 1 3 . 1 1 147 147 ALA CA C 147 52.991 52.991 51.241 1.750 19036 2102 1 3 . 1 1 147 147 ALA CB C 147 19.162 19.162 20.617 -1.455 19036 2103 1 3 . 1 1 147 147 ALA H H 147 7.827 7.827 7.442 0.385 19036 2104 1 4 . 1 1 2 2 ASP HA H 2 4.654 4.654 4.695 -0.041 19036 2105 1 4 . 1 1 2 2 ASP CA C 2 54.799 54.799 53.390 1.409 19036 2106 1 4 . 1 1 2 2 ASP CB C 2 41.496 41.496 39.934 1.562 19036 2107 1 4 . 1 1 3 3 GLN N N 3 119.900 119.900 118.335 1.565 19036 2108 1 4 . 1 1 3 3 GLN HA H 3 4.399 4.399 3.889 0.510 19036 2109 1 4 . 1 1 3 3 GLN CA C 3 55.646 55.646 56.699 -1.053 19036 2110 1 4 . 1 1 3 3 GLN CB C 3 29.996 29.996 28.544 1.452 19036 2111 1 4 . 1 1 3 3 GLN H H 3 8.385 8.385 7.871 0.514 19036 2112 1 4 . 1 1 4 4 LEU N N 4 123.270 123.270 121.617 1.653 19036 2113 1 4 . 1 1 4 4 LEU HA H 4 4.681 4.681 4.394 0.287 19036 2114 1 4 . 1 1 4 4 LEU CA C 4 54.516 54.516 55.306 -0.790 19036 2115 1 4 . 1 1 4 4 LEU CB C 4 43.666 43.666 42.594 1.072 19036 2116 1 4 . 1 1 4 4 LEU H H 4 8.351 8.351 8.280 0.071 19036 2117 1 4 . 1 1 5 5 THR N N 5 113.150 113.150 112.353 0.797 19036 2118 1 4 . 1 1 5 5 THR HA H 5 4.479 4.479 4.486 -0.007 19036 2119 1 4 . 1 1 5 5 THR CA C 5 60.553 60.553 59.927 0.626 19036 2120 1 4 . 1 1 5 5 THR CB C 5 71.232 71.232 71.253 -0.021 19036 2121 1 4 . 1 1 5 5 THR H H 5 8.764 8.764 7.948 0.816 19036 2122 1 4 . 1 1 6 6 GLU N N 6 120.490 120.490 122.596 -2.106 19036 2123 1 4 . 1 1 6 6 GLU HA H 6 3.994 3.994 3.972 0.022 19036 2124 1 4 . 1 1 6 6 GLU CA C 6 60.091 60.091 59.486 0.605 19036 2125 1 4 . 1 1 6 6 GLU CB C 6 29.307 29.307 29.446 -0.139 19036 2126 1 4 . 1 1 6 6 GLU H H 6 9.066 9.066 9.009 0.057 19036 2127 1 4 . 1 1 7 7 GLU N N 7 119.640 119.640 116.933 2.707 19036 2128 1 4 . 1 1 7 7 GLU HA H 7 4.081 4.081 3.954 0.127 19036 2129 1 4 . 1 1 7 7 GLU CA C 7 60.055 60.055 58.890 1.165 19036 2130 1 4 . 1 1 7 7 GLU CB C 7 29.194 29.194 28.757 0.437 19036 2131 1 4 . 1 1 7 7 GLU H H 7 8.769 8.769 8.684 0.085 19036 2132 1 4 . 1 1 8 8 GLN N N 8 120.420 120.420 119.451 0.969 19036 2133 1 4 . 1 1 8 8 GLN HA H 8 3.857 3.857 3.843 0.014 19036 2134 1 4 . 1 1 8 8 GLN CA C 8 58.691 58.691 58.533 0.158 19036 2135 1 4 . 1 1 8 8 GLN CB C 8 29.295 29.295 28.244 1.051 19036 2136 1 4 . 1 1 8 8 GLN H H 8 7.779 7.779 7.584 0.195 19036 2137 1 4 . 1 1 9 9 ILE N N 9 119.530 119.530 119.037 0.493 19036 2138 1 4 . 1 1 9 9 ILE HA H 9 3.699 3.699 3.657 0.042 19036 2139 1 4 . 1 1 9 9 ILE CA C 9 66.284 66.284 64.183 2.101 19036 2140 1 4 . 1 1 9 9 ILE CB C 9 37.882 37.882 37.712 0.170 19036 2141 1 4 . 1 1 9 9 ILE H H 9 8.391 8.391 7.334 1.057 19036 2142 1 4 . 1 1 10 10 ALA N N 10 121.270 121.270 121.544 -0.274 19036 2143 1 4 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.863 0.277 19036 2144 1 4 . 1 1 10 10 ALA CA C 10 55.569 55.569 55.385 0.184 19036 2145 1 4 . 1 1 10 10 ALA CB C 10 17.977 17.977 17.940 0.037 19036 2146 1 4 . 1 1 10 10 ALA H H 10 8.040 8.040 7.457 0.583 19036 2147 1 4 . 1 1 11 11 GLU N N 11 119.830 119.830 118.998 0.832 19036 2148 1 4 . 1 1 11 11 GLU HA H 11 4.159 4.159 4.065 0.094 19036 2149 1 4 . 1 1 11 11 GLU CA C 11 59.438 59.438 59.082 0.356 19036 2150 1 4 . 1 1 11 11 GLU CB C 11 29.098 29.098 29.295 -0.197 19036 2151 1 4 . 1 1 11 11 GLU H H 11 7.841 7.841 7.520 0.321 19036 2152 1 4 . 1 1 12 12 PHE N N 12 120.250 120.250 117.327 2.923 19036 2153 1 4 . 1 1 12 12 PHE HA H 12 5.033 5.033 4.778 0.255 19036 2154 1 4 . 1 1 12 12 PHE CA C 12 59.113 59.113 57.060 2.053 19036 2155 1 4 . 1 1 12 12 PHE CB C 12 37.727 37.727 38.314 -0.587 19036 2156 1 4 . 1 1 12 12 PHE H H 12 8.641 8.641 7.344 1.297 19036 2157 1 4 . 1 1 13 13 LYS N N 13 123.680 123.680 121.873 1.807 19036 2158 1 4 . 1 1 13 13 LYS HA H 13 4.038 4.038 3.977 0.061 19036 2159 1 4 . 1 1 13 13 LYS CA C 13 60.228 60.228 60.436 -0.208 19036 2160 1 4 . 1 1 13 13 LYS CB C 13 32.020 32.020 32.174 -0.154 19036 2161 1 4 . 1 1 13 13 LYS H H 13 9.273 9.273 8.285 0.988 19036 2162 1 4 . 1 1 14 14 GLU N N 14 120.480 120.480 119.175 1.305 19036 2163 1 4 . 1 1 14 14 GLU HA H 14 4.150 4.150 4.086 0.064 19036 2164 1 4 . 1 1 14 14 GLU CA C 14 59.283 59.283 59.147 0.137 19036 2165 1 4 . 1 1 14 14 GLU CB C 14 29.163 29.163 29.331 -0.168 19036 2166 1 4 . 1 1 14 14 GLU H H 14 7.873 7.873 7.676 0.197 19036 2167 1 4 . 1 1 15 15 ALA N N 15 122.590 122.590 121.753 0.837 19036 2168 1 4 . 1 1 15 15 ALA HA H 15 4.285 4.285 4.145 0.140 19036 2169 1 4 . 1 1 15 15 ALA CA C 15 55.370 55.370 54.979 0.391 19036 2170 1 4 . 1 1 15 15 ALA CB C 15 18.190 18.190 18.627 -0.437 19036 2171 1 4 . 1 1 15 15 ALA H H 15 8.045 8.045 7.621 0.424 19036 2172 1 4 . 1 1 16 16 PHE N N 16 119.110 119.110 119.491 -0.381 19036 2173 1 4 . 1 1 16 16 PHE HA H 16 3.314 3.314 3.980 -0.666 19036 2174 1 4 . 1 1 16 16 PHE CA C 16 62.091 62.091 60.584 1.507 19036 2175 1 4 . 1 1 16 16 PHE CB C 16 39.813 39.813 39.315 0.498 19036 2176 1 4 . 1 1 16 16 PHE H H 16 8.804 8.804 8.439 0.365 19036 2177 1 4 . 1 1 17 17 SER N N 17 113.200 113.200 113.914 -0.714 19036 2178 1 4 . 1 1 17 17 SER HA H 17 4.139 4.139 4.007 0.132 19036 2179 1 4 . 1 1 17 17 SER CA C 17 61.542 61.542 60.965 0.577 19036 2180 1 4 . 1 1 17 17 SER CB C 17 63.424 63.424 62.858 0.566 19036 2181 1 4 . 1 1 17 17 SER H H 17 8.083 8.083 8.023 0.060 19036 2182 1 4 . 1 1 18 18 LEU N N 18 120.840 120.840 120.714 0.126 19036 2183 1 4 . 1 1 18 18 LEU HA H 18 3.981 3.981 3.978 0.003 19036 2184 1 4 . 1 1 18 18 LEU CA C 18 57.258 57.258 57.292 -0.034 19036 2185 1 4 . 1 1 18 18 LEU CB C 18 41.565 41.565 42.026 -0.461 19036 2186 1 4 . 1 1 18 18 LEU H H 18 7.436 7.436 7.292 0.144 19036 2187 1 4 . 1 1 19 19 PHE N N 19 114.020 114.020 114.368 -0.348 19036 2188 1 4 . 1 1 19 19 PHE HA H 19 4.237 4.237 4.158 0.079 19036 2189 1 4 . 1 1 19 19 PHE CA C 19 59.258 59.258 59.912 -0.654 19036 2190 1 4 . 1 1 19 19 PHE CB C 19 41.732 41.732 39.172 2.560 19036 2191 1 4 . 1 1 19 19 PHE H H 19 7.180 7.180 7.338 -0.158 19036 2192 1 4 . 1 1 20 20 ASP N N 20 117.440 117.440 118.612 -1.172 19036 2193 1 4 . 1 1 20 20 ASP HA H 20 4.579 4.579 4.573 0.006 19036 2194 1 4 . 1 1 20 20 ASP CA C 20 52.295 52.295 52.637 -0.342 19036 2195 1 4 . 1 1 20 20 ASP CB C 20 39.167 39.167 39.314 -0.147 19036 2196 1 4 . 1 1 20 20 ASP H H 20 7.844 7.844 7.462 0.382 19036 2197 1 4 . 1 1 21 21 LYS N N 21 124.410 124.410 124.449 -0.039 19036 2198 1 4 . 1 1 21 21 LYS HA H 21 3.990 3.990 3.961 0.029 19036 2199 1 4 . 1 1 21 21 LYS CA C 21 58.379 58.379 58.626 -0.247 19036 2200 1 4 . 1 1 21 21 LYS CB C 21 32.623 32.623 32.440 0.183 19036 2201 1 4 . 1 1 21 21 LYS H H 21 7.728 7.728 7.898 -0.170 19036 2202 1 4 . 1 1 22 22 ASP N N 22 114.060 114.060 117.598 -3.538 19036 2203 1 4 . 1 1 22 22 ASP HA H 22 4.625 4.625 4.472 0.153 19036 2204 1 4 . 1 1 22 22 ASP CA C 22 52.921 52.921 55.809 -2.888 19036 2205 1 4 . 1 1 22 22 ASP CB C 22 39.728 39.728 40.909 -1.181 19036 2206 1 4 . 1 1 22 22 ASP H H 22 8.095 8.095 8.942 -0.847 19036 2207 1 4 . 1 1 23 23 GLY N N 23 109.390 109.390 107.654 1.736 19036 2208 1 4 . 1 1 23 23 GLY CA C 23 47.250 47.250 45.816 1.434 19036 2209 1 4 . 1 1 23 23 GLY H H 23 7.717 7.717 8.062 -0.345 19036 2210 1 4 . 1 1 24 24 ASP N N 24 120.860 120.860 121.010 -0.150 19036 2211 1 4 . 1 1 24 24 ASP HA H 24 4.564 4.564 4.608 -0.044 19036 2212 1 4 . 1 1 24 24 ASP CA C 24 53.918 53.918 52.978 0.939 19036 2213 1 4 . 1 1 24 24 ASP CB C 24 40.569 40.569 40.298 0.271 19036 2214 1 4 . 1 1 24 24 ASP H H 24 8.472 8.472 7.988 0.484 19036 2215 1 4 . 1 1 25 25 GLY N N 25 113.090 113.090 109.221 3.869 19036 2216 1 4 . 1 1 25 25 GLY CA C 25 45.542 45.542 45.598 -0.056 19036 2217 1 4 . 1 1 25 25 GLY H H 25 10.619 10.619 8.250 2.369 19036 2218 1 4 . 1 1 26 26 THR N N 26 112.600 112.600 110.530 2.070 19036 2219 1 4 . 1 1 26 26 THR HA H 26 5.391 5.391 5.204 0.187 19036 2220 1 4 . 1 1 26 26 THR CA C 26 59.883 59.883 59.862 0.021 19036 2221 1 4 . 1 1 26 26 THR CB C 26 72.786 72.786 72.336 0.450 19036 2222 1 4 . 1 1 26 26 THR H H 26 8.211 8.211 8.588 -0.377 19036 2223 1 4 . 1 1 27 27 ILE N N 27 126.830 126.830 123.737 3.093 19036 2224 1 4 . 1 1 27 27 ILE HA H 27 4.895 4.895 4.419 0.476 19036 2225 1 4 . 1 1 27 27 ILE CA C 27 60.856 60.856 60.488 0.368 19036 2226 1 4 . 1 1 27 27 ILE CB C 27 39.926 39.926 39.589 0.337 19036 2227 1 4 . 1 1 27 27 ILE H H 27 9.876 9.876 8.455 1.421 19036 2228 1 4 . 1 1 28 28 THR N N 28 116.500 116.500 117.675 -1.175 19036 2229 1 4 . 1 1 28 28 THR HA H 28 4.811 4.811 4.925 -0.114 19036 2230 1 4 . 1 1 28 28 THR CA C 28 59.216 59.216 59.625 -0.409 19036 2231 1 4 . 1 1 28 28 THR CB C 28 72.541 72.541 71.423 1.118 19036 2232 1 4 . 1 1 28 28 THR H H 28 8.439 8.439 9.267 -0.828 19036 2233 1 4 . 1 1 29 29 THR N N 29 112.850 112.850 114.993 -2.143 19036 2234 1 4 . 1 1 29 29 THR HA H 29 3.807 3.807 3.879 -0.072 19036 2235 1 4 . 1 1 29 29 THR CA C 29 66.516 66.516 66.702 -0.186 19036 2236 1 4 . 1 1 29 29 THR CB C 29 68.018 68.018 68.424 -0.407 19036 2237 1 4 . 1 1 29 29 THR H H 29 9.238 9.238 9.026 0.212 19036 2238 1 4 . 1 1 30 30 LYS N N 30 121.130 121.130 123.174 -2.044 19036 2239 1 4 . 1 1 30 30 LYS HA H 30 4.170 4.170 4.019 0.151 19036 2240 1 4 . 1 1 30 30 LYS CA C 30 59.377 59.377 59.595 -0.218 19036 2241 1 4 . 1 1 30 30 LYS CB C 30 32.823 32.823 32.068 0.755 19036 2242 1 4 . 1 1 30 30 LYS H H 30 7.688 7.688 8.276 -0.588 19036 2243 1 4 . 1 1 31 31 GLU N N 31 121.920 121.920 119.713 2.207 19036 2244 1 4 . 1 1 31 31 GLU HA H 31 4.062 4.062 4.034 0.028 19036 2245 1 4 . 1 1 31 31 GLU CA C 31 59.579 59.579 59.384 0.195 19036 2246 1 4 . 1 1 31 31 GLU CB C 31 29.837 29.837 29.669 0.168 19036 2247 1 4 . 1 1 31 31 GLU H H 31 7.783 7.783 7.531 0.252 19036 2248 1 4 . 1 1 32 32 LEU N N 32 120.570 120.570 120.986 -0.416 19036 2249 1 4 . 1 1 32 32 LEU HA H 32 4.145 4.145 4.085 0.060 19036 2250 1 4 . 1 1 32 32 LEU CA C 32 58.321 58.321 58.057 0.264 19036 2251 1 4 . 1 1 32 32 LEU CB C 32 42.697 42.697 42.115 0.582 19036 2252 1 4 . 1 1 32 32 LEU H H 32 8.705 8.705 8.065 0.640 19036 2253 1 4 . 1 1 33 33 GLY N N 33 105.720 105.720 105.810 -0.090 19036 2254 1 4 . 1 1 33 33 GLY H H 33 8.753 8.753 8.226 0.527 19036 2255 1 4 . 1 1 34 34 THR N N 34 118.370 118.370 118.614 -0.244 19036 2256 1 4 . 1 1 34 34 THR HA H 34 3.961 3.961 4.042 -0.081 19036 2257 1 4 . 1 1 34 34 THR CA C 34 67.097 67.097 66.315 0.782 19036 2258 1 4 . 1 1 34 34 THR CB C 34 68.869 68.869 68.402 0.467 19036 2259 1 4 . 1 1 34 34 THR H H 34 8.071 8.071 7.834 0.237 19036 2260 1 4 . 1 1 35 35 VAL N N 35 122.170 122.170 122.238 -0.068 19036 2261 1 4 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.884 -0.275 19036 2262 1 4 . 1 1 35 35 VAL CA C 35 66.538 66.538 64.783 1.755 19036 2263 1 4 . 1 1 35 35 VAL CB C 35 31.589 31.589 31.330 0.259 19036 2264 1 4 . 1 1 35 35 VAL H H 35 7.738 7.738 7.627 0.111 19036 2265 1 4 . 1 1 36 36 MET N N 36 118.620 118.620 119.152 -0.532 19036 2266 1 4 . 1 1 36 36 MET HA H 36 4.043 4.043 4.139 -0.096 19036 2267 1 4 . 1 1 36 36 MET CA C 36 59.594 59.594 58.698 0.896 19036 2268 1 4 . 1 1 36 36 MET CB C 36 31.850 31.850 32.441 -0.591 19036 2269 1 4 . 1 1 36 36 MET H H 36 8.559 8.559 8.600 -0.041 19036 2270 1 4 . 1 1 37 37 ARG N N 37 118.920 118.920 119.378 -0.458 19036 2271 1 4 . 1 1 37 37 ARG HA H 37 4.798 4.798 4.194 0.604 19036 2272 1 4 . 1 1 37 37 ARG CA C 37 59.518 59.518 59.431 0.087 19036 2273 1 4 . 1 1 37 37 ARG CB C 37 30.189 30.189 29.947 0.242 19036 2274 1 4 . 1 1 37 37 ARG H H 37 8.638 8.638 8.566 0.072 19036 2275 1 4 . 1 1 38 38 SER N N 38 119.000 119.000 114.868 4.132 19036 2276 1 4 . 1 1 38 38 SER HA H 38 4.420 4.420 4.178 0.242 19036 2277 1 4 . 1 1 38 38 SER CA C 38 61.682 61.682 61.162 0.520 19036 2278 1 4 . 1 1 38 38 SER CB C 38 62.890 62.890 62.997 -0.107 19036 2279 1 4 . 1 1 38 38 SER H H 38 7.994 7.994 7.668 0.326 19036 2280 1 4 . 1 1 39 39 LEU N N 39 120.790 120.790 121.091 -0.301 19036 2281 1 4 . 1 1 39 39 LEU HA H 39 4.498 4.498 4.216 0.282 19036 2282 1 4 . 1 1 39 39 LEU CA C 39 54.405 54.405 55.070 -0.665 19036 2283 1 4 . 1 1 39 39 LEU CB C 39 41.979 41.979 42.042 -0.063 19036 2284 1 4 . 1 1 39 39 LEU H H 39 7.426 7.426 7.527 -0.101 19036 2285 1 4 . 1 1 40 40 GLY N N 40 106.830 106.830 107.258 -0.428 19036 2286 1 4 . 1 1 40 40 GLY CA C 40 45.713 45.713 45.170 0.543 19036 2287 1 4 . 1 1 40 40 GLY H H 40 7.896 7.896 7.743 0.153 19036 2288 1 4 . 1 1 41 41 GLN N N 41 118.330 118.330 119.193 -0.863 19036 2289 1 4 . 1 1 41 41 GLN HA H 41 4.503 4.503 4.521 -0.018 19036 2290 1 4 . 1 1 41 41 GLN CA C 41 54.585 54.585 54.643 -0.058 19036 2291 1 4 . 1 1 41 41 GLN CB C 41 30.591 30.591 31.615 -1.024 19036 2292 1 4 . 1 1 41 41 GLN H H 41 7.865 7.865 7.646 0.219 19036 2293 1 4 . 1 1 42 42 ASN N N 42 116.490 116.490 118.172 -1.682 19036 2294 1 4 . 1 1 42 42 ASN HA H 42 5.214 5.214 5.063 0.151 19036 2295 1 4 . 1 1 42 42 ASN CA C 42 51.351 51.351 51.309 0.042 19036 2296 1 4 . 1 1 42 42 ASN CB C 42 39.402 39.402 37.864 1.538 19036 2297 1 4 . 1 1 42 42 ASN H H 42 8.771 8.771 8.579 0.192 19036 2298 1 4 . 1 1 43 43 PRO HA H 43 4.779 4.779 4.820 -0.041 19036 2299 1 4 . 1 1 43 43 PRO CA C 43 62.475 62.475 62.948 -0.473 19036 2300 1 4 . 1 1 43 43 PRO CB C 43 32.084 32.084 33.065 -0.981 19036 2301 1 4 . 1 1 44 44 THR N N 44 113.050 113.050 111.370 1.680 19036 2302 1 4 . 1 1 44 44 THR HA H 44 4.487 4.487 4.594 -0.107 19036 2303 1 4 . 1 1 44 44 THR CA C 44 60.565 60.565 60.102 0.463 19036 2304 1 4 . 1 1 44 44 THR CB C 44 71.260 71.260 71.822 -0.562 19036 2305 1 4 . 1 1 44 44 THR H H 44 8.808 8.808 7.825 0.983 19036 2306 1 4 . 1 1 45 45 GLU N N 45 120.700 120.700 121.501 -0.801 19036 2307 1 4 . 1 1 45 45 GLU HA H 45 4.001 4.001 4.077 -0.076 19036 2308 1 4 . 1 1 45 45 GLU CA C 45 60.082 60.082 59.706 0.376 19036 2309 1 4 . 1 1 45 45 GLU CB C 45 29.129 29.129 29.079 0.050 19036 2310 1 4 . 1 1 45 45 GLU H H 45 8.842 8.842 9.070 -0.228 19036 2311 1 4 . 1 1 46 46 ALA N N 46 120.880 120.880 121.131 -0.251 19036 2312 1 4 . 1 1 46 46 ALA HA H 46 4.125 4.125 4.176 -0.051 19036 2313 1 4 . 1 1 46 46 ALA CA C 46 55.125 55.125 55.004 0.121 19036 2314 1 4 . 1 1 46 46 ALA CB C 46 18.342 18.342 18.204 0.138 19036 2315 1 4 . 1 1 46 46 ALA H H 46 8.305 8.305 8.272 0.033 19036 2316 1 4 . 1 1 47 47 GLU N N 47 118.780 118.780 119.355 -0.575 19036 2317 1 4 . 1 1 47 47 GLU HA H 47 4.040 4.040 4.106 -0.066 19036 2318 1 4 . 1 1 47 47 GLU CA C 47 59.144 59.144 58.663 0.481 19036 2319 1 4 . 1 1 47 47 GLU CB C 47 29.886 29.886 29.420 0.466 19036 2320 1 4 . 1 1 47 47 GLU H H 47 7.736 7.736 7.607 0.129 19036 2321 1 4 . 1 1 48 48 LEU N N 48 120.120 120.120 119.803 0.317 19036 2322 1 4 . 1 1 48 48 LEU HA H 48 4.079 4.079 4.013 0.065 19036 2323 1 4 . 1 1 48 48 LEU CA C 48 57.955 57.955 57.817 0.138 19036 2324 1 4 . 1 1 48 48 LEU CB C 48 42.516 42.516 41.686 0.830 19036 2325 1 4 . 1 1 48 48 LEU H H 48 8.169 8.169 7.847 0.322 19036 2326 1 4 . 1 1 49 49 GLN N N 49 118.390 118.390 119.275 -0.885 19036 2327 1 4 . 1 1 49 49 GLN HA H 49 3.849 3.849 3.924 -0.075 19036 2328 1 4 . 1 1 49 49 GLN CA C 49 58.676 58.676 59.153 -0.477 19036 2329 1 4 . 1 1 49 49 GLN CB C 49 28.341 28.341 28.139 0.202 19036 2330 1 4 . 1 1 49 49 GLN H H 49 8.235 8.235 8.255 -0.020 19036 2331 1 4 . 1 1 50 50 ASP N N 50 120.090 120.090 120.193 -0.103 19036 2332 1 4 . 1 1 50 50 ASP HA H 50 4.439 4.439 4.381 0.058 19036 2333 1 4 . 1 1 50 50 ASP CA C 50 57.643 57.643 56.895 0.748 19036 2334 1 4 . 1 1 50 50 ASP CB C 50 40.366 40.366 40.667 -0.301 19036 2335 1 4 . 1 1 50 50 ASP H H 50 8.164 8.164 7.736 0.428 19036 2336 1 4 . 1 1 51 51 MET N N 51 119.330 119.330 118.655 0.675 19036 2337 1 4 . 1 1 51 51 MET HA H 51 4.021 4.021 4.049 -0.028 19036 2338 1 4 . 1 1 51 51 MET CA C 51 59.332 59.332 59.583 -0.251 19036 2339 1 4 . 1 1 51 51 MET CB C 51 33.713 33.713 33.039 0.674 19036 2340 1 4 . 1 1 51 51 MET H H 51 7.909 7.909 7.491 0.418 19036 2341 1 4 . 1 1 52 52 ILE N N 52 118.080 118.080 116.610 1.470 19036 2342 1 4 . 1 1 52 52 ILE HA H 52 3.581 3.581 3.728 -0.147 19036 2343 1 4 . 1 1 52 52 ILE CA C 52 64.476 64.476 64.265 0.211 19036 2344 1 4 . 1 1 52 52 ILE CB C 52 37.177 37.177 37.596 -0.419 19036 2345 1 4 . 1 1 52 52 ILE H H 52 7.767 7.767 7.898 -0.131 19036 2346 1 4 . 1 1 53 53 ASN N N 53 117.980 117.980 119.179 -1.199 19036 2347 1 4 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.451 -0.034 19036 2348 1 4 . 1 1 53 53 ASN CA C 53 55.988 55.988 56.124 -0.136 19036 2349 1 4 . 1 1 53 53 ASN CB C 53 38.211 38.211 38.066 0.145 19036 2350 1 4 . 1 1 53 53 ASN H H 53 8.669 8.669 8.594 0.075 19036 2351 1 4 . 1 1 54 54 GLU N N 54 116.350 116.350 117.939 -1.589 19036 2352 1 4 . 1 1 54 54 GLU HA H 54 4.066 4.066 4.157 -0.091 19036 2353 1 4 . 1 1 54 54 GLU CA C 54 58.930 58.930 58.563 0.367 19036 2354 1 4 . 1 1 54 54 GLU CB C 54 30.404 30.404 29.792 0.612 19036 2355 1 4 . 1 1 54 54 GLU H H 54 7.566 7.566 7.900 -0.334 19036 2356 1 4 . 1 1 55 55 VAL N N 55 110.520 110.520 115.993 -5.473 19036 2357 1 4 . 1 1 55 55 VAL HA H 55 4.366 4.366 4.192 0.174 19036 2358 1 4 . 1 1 55 55 VAL CA C 55 61.089 61.089 60.864 0.225 19036 2359 1 4 . 1 1 55 55 VAL CB C 55 33.088 33.088 33.459 -0.371 19036 2360 1 4 . 1 1 55 55 VAL H H 55 7.242 7.242 7.497 -0.255 19036 2361 1 4 . 1 1 56 56 ASP N N 56 121.390 121.390 121.073 0.317 19036 2362 1 4 . 1 1 56 56 ASP HA H 56 4.582 4.582 4.717 -0.135 19036 2363 1 4 . 1 1 56 56 ASP CA C 56 53.916 53.916 53.134 0.782 19036 2364 1 4 . 1 1 56 56 ASP CB C 56 40.588 40.588 40.563 0.025 19036 2365 1 4 . 1 1 56 56 ASP H H 56 7.749 7.749 7.501 0.248 19036 2366 1 4 . 1 1 57 57 ALA N N 57 131.640 131.640 129.919 1.721 19036 2367 1 4 . 1 1 57 57 ALA HA H 57 4.247 4.247 4.227 0.020 19036 2368 1 4 . 1 1 57 57 ALA CA C 57 54.341 54.341 53.459 0.882 19036 2369 1 4 . 1 1 57 57 ALA CB C 57 19.800 19.800 19.932 -0.132 19036 2370 1 4 . 1 1 57 57 ALA H H 57 8.323 8.323 8.155 0.168 19036 2371 1 4 . 1 1 58 58 ASP N N 58 114.000 114.000 116.321 -2.321 19036 2372 1 4 . 1 1 58 58 ASP HA H 58 4.682 4.682 4.615 0.067 19036 2373 1 4 . 1 1 58 58 ASP CA C 58 52.705 52.705 53.211 -0.506 19036 2374 1 4 . 1 1 58 58 ASP CB C 58 39.931 39.931 40.570 -0.639 19036 2375 1 4 . 1 1 58 58 ASP H H 58 8.240 8.240 7.977 0.263 19036 2376 1 4 . 1 1 59 59 GLY N N 59 108.660 108.660 108.452 0.208 19036 2377 1 4 . 1 1 59 59 GLY CA C 59 47.306 47.306 46.070 1.236 19036 2378 1 4 . 1 1 59 59 GLY H H 59 7.635 7.635 8.492 -0.857 19036 2379 1 4 . 1 1 60 60 ASN N N 60 118.730 118.730 119.554 -0.824 19036 2380 1 4 . 1 1 60 60 ASN HA H 60 4.658 4.658 4.714 -0.056 19036 2381 1 4 . 1 1 60 60 ASN CA C 60 52.805 52.805 52.000 0.805 19036 2382 1 4 . 1 1 60 60 ASN CB C 60 37.716 37.716 38.636 -0.920 19036 2383 1 4 . 1 1 60 60 ASN H H 60 8.184 8.184 9.020 -0.836 19036 2384 1 4 . 1 1 61 61 GLY N N 61 113.430 113.430 109.537 3.893 19036 2385 1 4 . 1 1 61 61 GLY CA C 61 45.753 45.753 46.163 -0.410 19036 2386 1 4 . 1 1 61 61 GLY H H 61 10.605 10.605 9.074 1.531 19036 2387 1 4 . 1 1 62 62 THR N N 62 108.750 108.750 109.763 -1.013 19036 2388 1 4 . 1 1 62 62 THR HA H 62 4.874 4.874 4.904 -0.030 19036 2389 1 4 . 1 1 62 62 THR CA C 62 59.541 59.541 59.738 -0.197 19036 2390 1 4 . 1 1 62 62 THR CB C 62 72.168 72.168 72.321 -0.153 19036 2391 1 4 . 1 1 62 62 THR H H 62 7.699 7.699 8.329 -0.630 19036 2392 1 4 . 1 1 63 63 ILE N N 63 123.510 123.510 123.328 0.182 19036 2393 1 4 . 1 1 63 63 ILE HA H 63 5.160 5.160 4.659 0.501 19036 2394 1 4 . 1 1 63 63 ILE CA C 63 59.959 59.959 60.491 -0.532 19036 2395 1 4 . 1 1 63 63 ILE CB C 63 39.836 39.836 39.471 0.365 19036 2396 1 4 . 1 1 63 63 ILE H H 63 8.823 8.823 8.123 0.700 19036 2397 1 4 . 1 1 64 64 ASP N N 64 128.370 128.370 128.147 0.223 19036 2398 1 4 . 1 1 64 64 ASP HA H 64 5.463 5.463 5.108 0.355 19036 2399 1 4 . 1 1 64 64 ASP CA C 64 52.257 52.257 53.148 -0.891 19036 2400 1 4 . 1 1 64 64 ASP CB C 64 42.416 42.416 42.205 0.211 19036 2401 1 4 . 1 1 64 64 ASP H H 64 8.946 8.946 8.384 0.562 19036 2402 1 4 . 1 1 65 65 PHE N N 65 118.870 118.870 124.100 -5.230 19036 2403 1 4 . 1 1 65 65 PHE HA H 65 4.028 4.028 3.744 0.284 19036 2404 1 4 . 1 1 65 65 PHE CA C 65 63.404 63.404 62.541 0.862 19036 2405 1 4 . 1 1 65 65 PHE CB C 65 36.123 36.123 36.669 -0.546 19036 2406 1 4 . 1 1 65 65 PHE H H 65 9.000 9.000 8.622 0.378 19036 2407 1 4 . 1 1 66 66 PRO HA H 66 3.918 3.918 3.560 0.358 19036 2408 1 4 . 1 1 66 66 PRO CA C 66 66.799 66.799 65.797 1.002 19036 2409 1 4 . 1 1 66 66 PRO CB C 66 30.789 30.789 30.710 0.079 19036 2410 1 4 . 1 1 67 67 GLU N N 67 117.930 117.930 119.106 -1.176 19036 2411 1 4 . 1 1 67 67 GLU HA H 67 4.088 4.088 3.969 0.119 19036 2412 1 4 . 1 1 67 67 GLU CA C 67 58.965 58.965 59.298 -0.333 19036 2413 1 4 . 1 1 67 67 GLU CB C 67 29.677 29.677 29.188 0.489 19036 2414 1 4 . 1 1 67 67 GLU H H 67 8.185 8.185 7.666 0.519 19036 2415 1 4 . 1 1 68 68 PHE N N 68 123.830 123.830 121.457 2.373 19036 2416 1 4 . 1 1 68 68 PHE HA H 68 3.957 3.957 4.208 -0.251 19036 2417 1 4 . 1 1 68 68 PHE CA C 68 61.439 61.439 60.718 0.721 19036 2418 1 4 . 1 1 68 68 PHE CB C 68 40.429 40.429 39.181 1.248 19036 2419 1 4 . 1 1 68 68 PHE H H 68 8.794 8.794 8.207 0.587 19036 2420 1 4 . 1 1 69 69 LEU N N 69 119.410 119.410 119.493 -0.083 19036 2421 1 4 . 1 1 69 69 LEU HA H 69 3.394 3.394 3.505 -0.111 19036 2422 1 4 . 1 1 69 69 LEU CA C 69 58.042 58.042 58.077 -0.035 19036 2423 1 4 . 1 1 69 69 LEU CB C 69 41.246 41.246 41.128 0.118 19036 2424 1 4 . 1 1 69 69 LEU H H 69 8.662 8.662 8.228 0.434 19036 2425 1 4 . 1 1 70 70 THR N N 70 115.700 115.700 115.377 0.323 19036 2426 1 4 . 1 1 70 70 THR HA H 70 3.783 3.783 3.783 0.000 19036 2427 1 4 . 1 1 70 70 THR CA C 70 66.623 66.623 67.196 -0.573 19036 2428 1 4 . 1 1 70 70 THR CB C 70 68.592 68.592 68.430 0.162 19036 2429 1 4 . 1 1 70 70 THR H H 70 7.744 7.744 7.654 0.090 19036 2430 1 4 . 1 1 71 71 MET N N 71 121.350 121.350 121.659 -0.309 19036 2431 1 4 . 1 1 71 71 MET HA H 71 3.889 3.889 3.846 0.043 19036 2432 1 4 . 1 1 71 71 MET CA C 71 58.859 58.859 59.411 -0.552 19036 2433 1 4 . 1 1 71 71 MET CB C 71 32.676 32.676 32.534 0.142 19036 2434 1 4 . 1 1 71 71 MET H H 71 7.622 7.622 7.344 0.278 19036 2435 1 4 . 1 1 72 72 MET N N 72 117.390 117.390 116.110 1.280 19036 2436 1 4 . 1 1 72 72 MET HA H 72 3.973 3.973 3.964 0.009 19036 2437 1 4 . 1 1 72 72 MET CA C 72 56.030 56.030 57.285 -1.256 19036 2438 1 4 . 1 1 72 72 MET CB C 72 30.934 30.934 31.240 -0.306 19036 2439 1 4 . 1 1 72 72 MET H H 72 8.066 8.066 7.649 0.417 19036 2440 1 4 . 1 1 73 73 ALA N N 73 121.670 121.670 121.394 0.276 19036 2441 1 4 . 1 1 73 73 ALA HA H 73 4.103 4.103 4.180 -0.077 19036 2442 1 4 . 1 1 73 73 ALA CA C 73 54.517 54.517 53.796 0.721 19036 2443 1 4 . 1 1 73 73 ALA CB C 73 18.381 18.381 18.560 -0.179 19036 2444 1 4 . 1 1 73 73 ALA H H 73 8.276 8.276 7.812 0.464 19036 2445 1 4 . 1 1 74 74 ARG N N 74 117.220 117.220 118.920 -1.700 19036 2446 1 4 . 1 1 74 74 ARG HA H 74 4.113 4.113 3.900 0.213 19036 2447 1 4 . 1 1 74 74 ARG CA C 74 58.327 58.327 59.023 -0.696 19036 2448 1 4 . 1 1 74 74 ARG CB C 74 30.378 30.378 29.767 0.611 19036 2449 1 4 . 1 1 74 74 ARG H H 74 7.539 7.539 8.196 -0.657 19036 2450 1 4 . 1 1 75 75 LYS N N 75 119.120 119.120 119.835 -0.715 19036 2451 1 4 . 1 1 75 75 LYS HA H 75 4.261 4.261 4.009 0.252 19036 2452 1 4 . 1 1 75 75 LYS CA C 75 56.990 56.990 59.193 -2.203 19036 2453 1 4 . 1 1 75 75 LYS CB C 75 32.412 32.412 32.013 0.399 19036 2454 1 4 . 1 1 75 75 LYS H H 75 7.833 7.833 7.347 0.486 19036 2455 1 4 . 1 1 76 76 MET N N 76 118.860 118.860 118.840 0.020 19036 2456 1 4 . 1 1 76 76 MET HA H 76 4.370 4.370 4.262 0.108 19036 2457 1 4 . 1 1 76 76 MET CA C 76 56.700 56.700 57.864 -1.164 19036 2458 1 4 . 1 1 76 76 MET CB C 76 32.981 32.981 32.397 0.584 19036 2459 1 4 . 1 1 76 76 MET H H 76 8.000 8.000 8.228 -0.228 19036 2460 1 4 . 1 1 77 77 LYS N N 77 120.200 120.200 116.685 3.515 19036 2461 1 4 . 1 1 77 77 LYS HA H 77 4.352 4.352 4.279 0.073 19036 2462 1 4 . 1 1 77 77 LYS CA C 77 56.709 56.709 55.906 0.803 19036 2463 1 4 . 1 1 77 77 LYS CB C 77 33.138 33.138 32.340 0.798 19036 2464 1 4 . 1 1 77 77 LYS H H 77 7.866 7.866 7.624 0.242 19036 2465 1 4 . 1 1 78 78 ASP N N 78 121.430 121.430 118.016 3.414 19036 2466 1 4 . 1 1 78 78 ASP HA H 78 4.691 4.691 4.353 0.338 19036 2467 1 4 . 1 1 78 78 ASP CA C 78 54.771 54.771 55.529 -0.757 19036 2468 1 4 . 1 1 78 78 ASP CB C 78 41.222 41.222 39.060 2.162 19036 2469 1 4 . 1 1 78 78 ASP H H 78 8.250 8.250 7.899 0.351 19036 2470 1 4 . 1 1 79 79 THR N N 79 114.390 114.390 111.080 3.310 19036 2471 1 4 . 1 1 79 79 THR HA H 79 4.337 4.337 4.243 0.094 19036 2472 1 4 . 1 1 79 79 THR CA C 79 62.349 62.349 64.680 -2.331 19036 2473 1 4 . 1 1 79 79 THR CB C 79 69.875 69.875 69.368 0.507 19036 2474 1 4 . 1 1 79 79 THR H H 79 8.093 8.093 7.554 0.539 19036 2475 1 4 . 1 1 80 80 ASP N N 80 123.460 123.460 121.751 1.709 19036 2476 1 4 . 1 1 80 80 ASP HA H 80 4.721 4.721 4.701 0.020 19036 2477 1 4 . 1 1 80 80 ASP CA C 80 54.655 54.655 55.795 -1.140 19036 2478 1 4 . 1 1 80 80 ASP CB C 80 41.416 41.416 40.202 1.214 19036 2479 1 4 . 1 1 80 80 ASP H H 80 8.455 8.455 8.724 -0.269 19036 2480 1 4 . 1 1 81 81 SER N N 81 117.440 117.440 115.411 2.029 19036 2481 1 4 . 1 1 81 81 SER HA H 81 4.455 4.455 4.257 0.198 19036 2482 1 4 . 1 1 81 81 SER CA C 81 59.571 59.571 62.453 -2.882 19036 2483 1 4 . 1 1 81 81 SER CB C 81 63.825 63.825 62.831 0.994 19036 2484 1 4 . 1 1 81 81 SER H H 81 8.505 8.505 8.554 -0.049 19036 2485 1 4 . 1 1 82 82 GLU N N 82 122.380 122.380 121.089 1.291 19036 2486 1 4 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.017 0.168 19036 2487 1 4 . 1 1 82 82 GLU CA C 82 58.800 58.800 59.361 -0.561 19036 2488 1 4 . 1 1 82 82 GLU CB C 82 29.660 29.660 29.351 0.309 19036 2489 1 4 . 1 1 82 82 GLU H H 82 8.508 8.508 8.209 0.299 19036 2490 1 4 . 1 1 83 83 GLU N N 83 119.670 119.670 118.906 0.764 19036 2491 1 4 . 1 1 83 83 GLU HA H 83 4.085 4.085 4.101 -0.016 19036 2492 1 4 . 1 1 83 83 GLU CA C 83 59.576 59.576 59.146 0.430 19036 2493 1 4 . 1 1 83 83 GLU CB C 83 29.410 29.410 29.703 -0.293 19036 2494 1 4 . 1 1 83 83 GLU H H 83 8.297 8.297 7.949 0.348 19036 2495 1 4 . 1 1 84 84 GLU N N 84 118.700 118.700 119.504 -0.804 19036 2496 1 4 . 1 1 84 84 GLU HA H 84 4.135 4.135 4.173 -0.038 19036 2497 1 4 . 1 1 84 84 GLU CA C 84 59.523 59.523 59.063 0.459 19036 2498 1 4 . 1 1 84 84 GLU CB C 84 29.607 29.607 29.489 0.118 19036 2499 1 4 . 1 1 84 84 GLU H H 84 8.218 8.218 8.268 -0.050 19036 2500 1 4 . 1 1 85 85 ILE N N 85 121.500 121.500 121.309 0.191 19036 2501 1 4 . 1 1 85 85 ILE HA H 85 3.981 3.981 3.850 0.131 19036 2502 1 4 . 1 1 85 85 ILE CA C 85 64.941 64.941 65.318 -0.377 19036 2503 1 4 . 1 1 85 85 ILE CB C 85 37.484 37.484 37.891 -0.407 19036 2504 1 4 . 1 1 85 85 ILE H H 85 7.980 7.980 7.921 0.059 19036 2505 1 4 . 1 1 86 86 ARG N N 86 121.710 121.710 118.590 3.120 19036 2506 1 4 . 1 1 86 86 ARG HA H 86 4.186 4.186 4.259 -0.073 19036 2507 1 4 . 1 1 86 86 ARG CA C 86 60.202 60.202 59.647 0.555 19036 2508 1 4 . 1 1 86 86 ARG CB C 86 30.026 30.026 30.093 -0.067 19036 2509 1 4 . 1 1 86 86 ARG H H 86 8.471 8.471 7.554 0.917 19036 2510 1 4 . 1 1 87 87 GLU N N 87 118.710 118.710 119.808 -1.098 19036 2511 1 4 . 1 1 87 87 GLU HA H 87 4.179 4.179 4.180 -0.001 19036 2512 1 4 . 1 1 87 87 GLU CA C 87 58.995 58.995 58.838 0.157 19036 2513 1 4 . 1 1 87 87 GLU CB C 87 29.201 29.201 29.310 -0.109 19036 2514 1 4 . 1 1 87 87 GLU H H 87 8.211 8.211 7.658 0.553 19036 2515 1 4 . 1 1 88 88 ALA N N 88 121.910 121.910 121.704 0.206 19036 2516 1 4 . 1 1 88 88 ALA HA H 88 4.180 4.180 4.239 -0.059 19036 2517 1 4 . 1 1 88 88 ALA CA C 88 55.275 55.275 55.288 -0.013 19036 2518 1 4 . 1 1 88 88 ALA CB C 88 17.936 17.936 18.335 -0.399 19036 2519 1 4 . 1 1 88 88 ALA H H 88 8.037 8.037 8.155 -0.118 19036 2520 1 4 . 1 1 89 89 PHE N N 89 118.790 118.790 119.460 -0.670 19036 2521 1 4 . 1 1 89 89 PHE HA H 89 3.188 3.188 3.819 -0.631 19036 2522 1 4 . 1 1 89 89 PHE CA C 89 62.283 62.283 61.421 0.862 19036 2523 1 4 . 1 1 89 89 PHE CB C 89 39.238 39.238 39.050 0.188 19036 2524 1 4 . 1 1 89 89 PHE H H 89 8.623 8.623 7.926 0.697 19036 2525 1 4 . 1 1 90 90 ARG N N 90 115.890 115.890 119.554 -3.664 19036 2526 1 4 . 1 1 90 90 ARG HA H 90 3.906 3.906 4.137 -0.231 19036 2527 1 4 . 1 1 90 90 ARG CA C 90 58.950 58.950 59.696 -0.746 19036 2528 1 4 . 1 1 90 90 ARG CB C 90 30.414 30.414 30.129 0.285 19036 2529 1 4 . 1 1 90 90 ARG H H 90 7.775 7.775 7.829 -0.054 19036 2530 1 4 . 1 1 91 91 VAL N N 91 118.320 118.320 117.082 1.238 19036 2531 1 4 . 1 1 91 91 VAL HA H 91 3.515 3.515 3.792 -0.277 19036 2532 1 4 . 1 1 91 91 VAL CA C 91 65.726 65.726 64.831 0.895 19036 2533 1 4 . 1 1 91 91 VAL CB C 91 31.579 31.579 31.519 0.060 19036 2534 1 4 . 1 1 91 91 VAL H H 91 7.538 7.538 7.358 0.180 19036 2535 1 4 . 1 1 92 92 PHE N N 92 115.750 115.750 116.753 -1.003 19036 2536 1 4 . 1 1 92 92 PHE HA H 92 4.247 4.247 4.168 0.079 19036 2537 1 4 . 1 1 92 92 PHE CA C 92 60.241 60.241 60.798 -0.557 19036 2538 1 4 . 1 1 92 92 PHE CB C 92 40.951 40.951 39.253 1.698 19036 2539 1 4 . 1 1 92 92 PHE H H 92 7.381 7.381 8.122 -0.741 19036 2540 1 4 . 1 1 93 93 ASP N N 93 116.590 116.590 118.010 -1.420 19036 2541 1 4 . 1 1 93 93 ASP HA H 93 4.590 4.590 4.776 -0.186 19036 2542 1 4 . 1 1 93 93 ASP CA C 93 52.466 52.466 52.541 -0.075 19036 2543 1 4 . 1 1 93 93 ASP CB C 93 38.478 38.478 39.383 -0.905 19036 2544 1 4 . 1 1 93 93 ASP H H 93 7.900 7.900 8.027 -0.127 19036 2545 1 4 . 1 1 94 94 LYS N N 94 126.160 126.160 125.166 0.994 19036 2546 1 4 . 1 1 94 94 LYS HA H 94 3.945 3.945 4.023 -0.078 19036 2547 1 4 . 1 1 94 94 LYS CA C 94 59.072 59.072 58.353 0.719 19036 2548 1 4 . 1 1 94 94 LYS CB C 94 32.589 32.589 32.604 -0.015 19036 2549 1 4 . 1 1 94 94 LYS H H 94 7.790 7.790 7.953 -0.163 19036 2550 1 4 . 1 1 95 95 ASP N N 95 114.060 114.060 116.367 -2.307 19036 2551 1 4 . 1 1 95 95 ASP HA H 95 4.579 4.579 4.508 0.071 19036 2552 1 4 . 1 1 95 95 ASP CA C 95 53.120 53.120 55.945 -2.825 19036 2553 1 4 . 1 1 95 95 ASP CB C 95 40.043 40.043 41.253 -1.210 19036 2554 1 4 . 1 1 95 95 ASP H H 95 8.237 8.237 9.310 -1.073 19036 2555 1 4 . 1 1 96 96 GLY N N 96 109.410 109.410 107.132 2.278 19036 2556 1 4 . 1 1 96 96 GLY CA C 96 47.263 47.263 46.302 0.961 19036 2557 1 4 . 1 1 96 96 GLY H H 96 7.839 7.839 8.453 -0.614 19036 2558 1 4 . 1 1 97 97 ASN N N 97 119.630 119.630 120.271 -0.641 19036 2559 1 4 . 1 1 97 97 ASN HA H 97 4.659 4.659 4.643 0.016 19036 2560 1 4 . 1 1 97 97 ASN CA C 97 52.681 52.681 52.823 -0.142 19036 2561 1 4 . 1 1 97 97 ASN CB C 97 38.311 38.311 38.530 -0.219 19036 2562 1 4 . 1 1 97 97 ASN H H 97 8.377 8.377 8.051 0.326 19036 2563 1 4 . 1 1 98 98 GLY N N 98 112.970 112.970 107.618 5.352 19036 2564 1 4 . 1 1 98 98 GLY CA C 98 45.183 45.183 45.428 -0.245 19036 2565 1 4 . 1 1 98 98 GLY H H 98 10.687 10.687 8.430 2.257 19036 2566 1 4 . 1 1 99 99 TYR N N 99 116.080 116.080 118.398 -2.318 19036 2567 1 4 . 1 1 99 99 TYR HA H 99 5.065 5.065 5.157 -0.092 19036 2568 1 4 . 1 1 99 99 TYR CA C 99 56.198 56.198 56.620 -0.422 19036 2569 1 4 . 1 1 99 99 TYR CB C 99 43.110 43.110 41.658 1.452 19036 2570 1 4 . 1 1 99 99 TYR H H 99 7.671 7.671 7.945 -0.274 19036 2571 1 4 . 1 1 100 100 ILE N N 100 127.320 127.320 124.332 2.988 19036 2572 1 4 . 1 1 100 100 ILE HA H 100 4.780 4.780 4.591 0.189 19036 2573 1 4 . 1 1 100 100 ILE CA C 100 60.731 60.731 60.590 0.141 19036 2574 1 4 . 1 1 100 100 ILE CB C 100 39.050 39.050 38.936 0.114 19036 2575 1 4 . 1 1 100 100 ILE H H 100 10.163 10.163 8.588 1.575 19036 2576 1 4 . 1 1 101 101 SER N N 101 123.810 123.810 123.181 0.629 19036 2577 1 4 . 1 1 101 101 SER HA H 101 4.898 4.898 4.810 0.088 19036 2578 1 4 . 1 1 101 101 SER CA C 101 55.840 55.840 56.484 -0.644 19036 2579 1 4 . 1 1 101 101 SER CB C 101 66.799 66.799 65.786 1.013 19036 2580 1 4 . 1 1 101 101 SER H H 101 8.970 8.970 8.000 0.970 19036 2581 1 4 . 1 1 102 102 ALA N N 102 123.130 123.130 124.126 -0.996 19036 2582 1 4 . 1 1 102 102 ALA HA H 102 3.927 3.927 4.137 -0.210 19036 2583 1 4 . 1 1 102 102 ALA CA C 102 56.023 56.023 55.118 0.905 19036 2584 1 4 . 1 1 102 102 ALA CB C 102 18.139 18.139 18.340 -0.201 19036 2585 1 4 . 1 1 102 102 ALA H H 102 9.269 9.269 8.852 0.417 19036 2586 1 4 . 1 1 103 103 ALA N N 103 118.460 118.460 120.509 -2.049 19036 2587 1 4 . 1 1 103 103 ALA HA H 103 4.058 4.058 4.135 -0.077 19036 2588 1 4 . 1 1 103 103 ALA CA C 103 55.250 55.250 54.656 0.594 19036 2589 1 4 . 1 1 103 103 ALA CB C 103 18.492 18.492 18.062 0.430 19036 2590 1 4 . 1 1 103 103 ALA H H 103 8.294 8.294 8.285 0.009 19036 2591 1 4 . 1 1 104 104 GLU N N 104 120.070 120.070 119.728 0.342 19036 2592 1 4 . 1 1 104 104 GLU HA H 104 4.073 4.073 4.051 0.022 19036 2593 1 4 . 1 1 104 104 GLU CA C 104 59.567 59.567 58.948 0.619 19036 2594 1 4 . 1 1 104 104 GLU CB C 104 29.262 29.262 29.675 -0.413 19036 2595 1 4 . 1 1 104 104 GLU H H 104 7.939 7.939 7.611 0.328 19036 2596 1 4 . 1 1 105 105 LEU N N 105 120.990 120.990 120.291 0.699 19036 2597 1 4 . 1 1 105 105 LEU HA H 105 4.133 4.133 4.098 0.035 19036 2598 1 4 . 1 1 105 105 LEU CA C 105 58.618 58.618 57.765 0.853 19036 2599 1 4 . 1 1 105 105 LEU CB C 105 42.210 42.210 42.015 0.195 19036 2600 1 4 . 1 1 105 105 LEU H H 105 8.534 8.534 7.608 0.926 19036 2601 1 4 . 1 1 106 106 ARG N N 106 117.580 117.580 117.514 0.066 19036 2602 1 4 . 1 1 106 106 ARG HA H 106 3.832 3.832 4.049 -0.217 19036 2603 1 4 . 1 1 106 106 ARG CA C 106 60.041 60.041 59.414 0.627 19036 2604 1 4 . 1 1 106 106 ARG CB C 106 30.648 30.648 29.788 0.860 19036 2605 1 4 . 1 1 106 106 ARG H H 106 8.667 8.667 7.546 1.121 19036 2606 1 4 . 1 1 107 107 HIS N N 107 118.880 118.880 119.712 -0.832 19036 2607 1 4 . 1 1 107 107 HIS HA H 107 4.338 4.338 4.295 0.043 19036 2608 1 4 . 1 1 107 107 HIS CA C 107 59.771 59.771 59.503 0.268 19036 2609 1 4 . 1 1 107 107 HIS CB C 107 30.491 30.491 29.184 1.307 19036 2610 1 4 . 1 1 107 107 HIS H H 107 8.071 8.071 7.686 0.385 19036 2611 1 4 . 1 1 108 108 VAL N N 108 119.170 119.170 118.490 0.680 19036 2612 1 4 . 1 1 108 108 VAL HA H 108 3.556 3.556 3.235 0.321 19036 2613 1 4 . 1 1 108 108 VAL CA C 108 66.580 66.580 66.226 0.354 19036 2614 1 4 . 1 1 108 108 VAL CB C 108 31.920 31.920 31.139 0.781 19036 2615 1 4 . 1 1 108 108 VAL H H 108 8.107 8.107 7.366 0.741 19036 2616 1 4 . 1 1 109 109 MET N N 109 116.290 116.290 118.121 -1.831 19036 2617 1 4 . 1 1 109 109 MET HA H 109 4.326 4.326 4.042 0.284 19036 2618 1 4 . 1 1 109 109 MET CA C 109 57.824 57.824 59.521 -1.697 19036 2619 1 4 . 1 1 109 109 MET CB C 109 31.052 31.052 32.431 -1.379 19036 2620 1 4 . 1 1 109 109 MET H H 109 8.280 8.280 7.523 0.757 19036 2621 1 4 . 1 1 110 110 THR N N 110 115.190 115.190 116.950 -1.760 19036 2622 1 4 . 1 1 110 110 THR HA H 110 4.166 4.166 4.205 -0.039 19036 2623 1 4 . 1 1 110 110 THR CA C 110 66.182 66.182 66.909 -0.727 19036 2624 1 4 . 1 1 110 110 THR CB C 110 68.951 68.951 68.667 0.284 19036 2625 1 4 . 1 1 110 110 THR H H 110 8.244 8.244 8.145 0.099 19036 2626 1 4 . 1 1 111 111 ASN N N 111 122.310 122.310 119.819 2.491 19036 2627 1 4 . 1 1 111 111 ASN HA H 111 4.502 4.502 4.520 -0.018 19036 2628 1 4 . 1 1 111 111 ASN CA C 111 55.931 55.931 55.573 0.358 19036 2629 1 4 . 1 1 111 111 ASN CB C 111 38.585 38.585 38.153 0.432 19036 2630 1 4 . 1 1 111 111 ASN H H 111 7.904 7.904 7.839 0.065 19036 2631 1 4 . 1 1 112 112 LEU N N 112 118.850 118.850 118.206 0.644 19036 2632 1 4 . 1 1 112 112 LEU HA H 112 4.354 4.354 4.550 -0.196 19036 2633 1 4 . 1 1 112 112 LEU CA C 112 55.274 55.274 54.410 0.864 19036 2634 1 4 . 1 1 112 112 LEU CB C 112 42.218 42.218 41.644 0.574 19036 2635 1 4 . 1 1 112 112 LEU H H 112 7.873 7.873 7.249 0.624 19036 2636 1 4 . 1 1 113 113 GLY N N 113 106.700 106.700 107.710 -1.010 19036 2637 1 4 . 1 1 113 113 GLY CA C 113 45.596 45.596 45.419 0.177 19036 2638 1 4 . 1 1 113 113 GLY H H 113 7.844 7.844 7.870 -0.026 19036 2639 1 4 . 1 1 114 114 GLU N N 114 120.140 120.140 120.967 -0.827 19036 2640 1 4 . 1 1 114 114 GLU HA H 114 4.459 4.459 4.657 -0.198 19036 2641 1 4 . 1 1 114 114 GLU CA C 114 55.046 55.046 54.880 0.166 19036 2642 1 4 . 1 1 114 114 GLU CB C 114 30.469 30.469 32.386 -1.917 19036 2643 1 4 . 1 1 114 114 GLU H H 114 7.946 7.946 8.020 -0.074 19036 2644 1 4 . 1 1 115 115 LYS N N 115 124.130 124.130 122.713 1.417 19036 2645 1 4 . 1 1 115 115 LYS HA H 115 4.394 4.394 4.536 -0.142 19036 2646 1 4 . 1 1 115 115 LYS CA C 115 55.794 55.794 56.488 -0.694 19036 2647 1 4 . 1 1 115 115 LYS CB C 115 32.191 32.191 33.833 -1.642 19036 2648 1 4 . 1 1 115 115 LYS H H 115 8.646 8.646 8.441 0.205 19036 2649 1 4 . 1 1 116 116 LEU N N 116 124.840 124.840 125.126 -0.286 19036 2650 1 4 . 1 1 116 116 LEU HA H 116 4.793 4.793 4.893 -0.100 19036 2651 1 4 . 1 1 116 116 LEU CA C 116 54.127 54.127 52.853 1.274 19036 2652 1 4 . 1 1 116 116 LEU CB C 116 44.934 44.934 43.874 1.060 19036 2653 1 4 . 1 1 116 116 LEU H H 116 8.097 8.097 8.230 -0.133 19036 2654 1 4 . 1 1 117 117 THR N N 117 114.690 114.690 110.853 3.837 19036 2655 1 4 . 1 1 117 117 THR HA H 117 4.492 4.492 4.492 0.000 19036 2656 1 4 . 1 1 117 117 THR CA C 117 60.751 60.751 60.875 -0.124 19036 2657 1 4 . 1 1 117 117 THR CB C 117 71.303 71.303 70.599 0.704 19036 2658 1 4 . 1 1 117 117 THR H H 117 9.252 9.252 7.937 1.315 19036 2659 1 4 . 1 1 118 118 ASP N N 118 121.130 121.130 122.833 -1.703 19036 2660 1 4 . 1 1 118 118 ASP HA H 118 4.232 4.232 4.310 -0.078 19036 2661 1 4 . 1 1 118 118 ASP CA C 118 58.080 58.080 57.917 0.163 19036 2662 1 4 . 1 1 118 118 ASP CB C 118 39.870 39.870 40.669 -0.799 19036 2663 1 4 . 1 1 118 118 ASP H H 118 8.936 8.936 8.833 0.103 19036 2664 1 4 . 1 1 119 119 GLU N N 119 119.110 119.110 120.009 -0.899 19036 2665 1 4 . 1 1 119 119 GLU HA H 119 4.117 4.117 3.974 0.143 19036 2666 1 4 . 1 1 119 119 GLU CA C 119 60.043 60.043 59.486 0.557 19036 2667 1 4 . 1 1 119 119 GLU CB C 119 29.135 29.135 29.523 -0.388 19036 2668 1 4 . 1 1 119 119 GLU H H 119 8.715 8.715 8.657 0.058 19036 2669 1 4 . 1 1 120 120 GLU N N 120 120.680 120.680 119.041 1.639 19036 2670 1 4 . 1 1 120 120 GLU HA H 120 4.062 4.062 4.086 -0.024 19036 2671 1 4 . 1 1 120 120 GLU CA C 120 59.138 59.138 59.234 -0.097 19036 2672 1 4 . 1 1 120 120 GLU CB C 120 30.420 30.420 29.482 0.938 19036 2673 1 4 . 1 1 120 120 GLU H H 120 7.809 7.809 7.589 0.220 19036 2674 1 4 . 1 1 121 121 VAL N N 121 120.660 120.660 119.776 0.884 19036 2675 1 4 . 1 1 121 121 VAL HA H 121 3.637 3.637 3.813 -0.176 19036 2676 1 4 . 1 1 121 121 VAL CA C 121 67.003 67.003 65.431 1.571 19036 2677 1 4 . 1 1 121 121 VAL CB C 121 31.463 31.463 31.206 0.258 19036 2678 1 4 . 1 1 121 121 VAL H H 121 8.079 8.079 7.995 0.084 19036 2679 1 4 . 1 1 122 122 ASP N N 122 119.590 119.590 120.326 -0.736 19036 2680 1 4 . 1 1 122 122 ASP HA H 122 4.349 4.349 4.332 0.017 19036 2681 1 4 . 1 1 122 122 ASP CA C 122 57.718 57.718 57.736 -0.018 19036 2682 1 4 . 1 1 122 122 ASP CB C 122 40.593 40.593 40.758 -0.165 19036 2683 1 4 . 1 1 122 122 ASP H H 122 8.124 8.124 8.627 -0.503 19036 2684 1 4 . 1 1 123 123 GLU N N 123 119.760 119.760 119.314 0.446 19036 2685 1 4 . 1 1 123 123 GLU HA H 123 4.051 4.051 4.054 -0.003 19036 2686 1 4 . 1 1 123 123 GLU CA C 123 59.144 59.144 59.112 0.032 19036 2687 1 4 . 1 1 123 123 GLU CB C 123 29.161 29.161 29.370 -0.209 19036 2688 1 4 . 1 1 123 123 GLU H H 123 8.034 8.034 8.259 -0.225 19036 2689 1 4 . 1 1 124 124 MET N N 124 119.580 119.580 119.236 0.344 19036 2690 1 4 . 1 1 124 124 MET HA H 124 4.024 4.024 4.129 -0.105 19036 2691 1 4 . 1 1 124 124 MET CA C 124 59.353 59.353 59.707 -0.354 19036 2692 1 4 . 1 1 124 124 MET CB C 124 33.497 33.497 32.795 0.702 19036 2693 1 4 . 1 1 124 124 MET H H 124 7.871 7.871 7.727 0.144 19036 2694 1 4 . 1 1 125 125 ILE N N 125 118.210 118.210 119.062 -0.852 19036 2695 1 4 . 1 1 125 125 ILE HA H 125 3.524 3.524 3.684 -0.160 19036 2696 1 4 . 1 1 125 125 ILE CA C 125 63.855 63.855 64.815 -0.960 19036 2697 1 4 . 1 1 125 125 ILE CB C 125 36.457 36.457 37.181 -0.723 19036 2698 1 4 . 1 1 125 125 ILE H H 125 7.953 7.953 7.947 0.006 19036 2699 1 4 . 1 1 126 126 ARG N N 126 118.420 118.420 120.357 -1.937 19036 2700 1 4 . 1 1 126 126 ARG HA H 126 4.038 4.038 3.942 0.096 19036 2701 1 4 . 1 1 126 126 ARG CA C 126 59.809 59.809 59.456 0.353 19036 2702 1 4 . 1 1 126 126 ARG CB C 126 30.311 30.311 30.395 -0.083 19036 2703 1 4 . 1 1 126 126 ARG H H 126 8.228 8.228 8.145 0.083 19036 2704 1 4 . 1 1 127 127 GLU N N 127 115.830 115.830 117.192 -1.362 19036 2705 1 4 . 1 1 127 127 GLU HA H 127 4.026 4.026 4.175 -0.149 19036 2706 1 4 . 1 1 127 127 GLU CA C 127 58.489 58.489 58.509 -0.020 19036 2707 1 4 . 1 1 127 127 GLU CB C 127 29.435 29.435 30.023 -0.588 19036 2708 1 4 . 1 1 127 127 GLU H H 127 7.950 7.950 8.109 -0.159 19036 2709 1 4 . 1 1 128 128 ALA N N 128 119.010 119.010 119.618 -0.608 19036 2710 1 4 . 1 1 128 128 ALA HA H 128 4.444 4.444 4.202 0.242 19036 2711 1 4 . 1 1 128 128 ALA CA C 128 52.125 52.125 52.667 -0.542 19036 2712 1 4 . 1 1 128 128 ALA CB C 128 21.322 21.322 19.547 1.775 19036 2713 1 4 . 1 1 128 128 ALA H H 128 7.386 7.386 7.537 -0.151 19036 2714 1 4 . 1 1 129 129 ASP N N 129 117.790 117.790 118.654 -0.864 19036 2715 1 4 . 1 1 129 129 ASP HA H 129 4.516 4.516 4.511 0.005 19036 2716 1 4 . 1 1 129 129 ASP CA C 129 54.190 54.190 54.514 -0.324 19036 2717 1 4 . 1 1 129 129 ASP CB C 129 40.587 40.587 39.909 0.678 19036 2718 1 4 . 1 1 129 129 ASP H H 129 7.913 7.913 7.775 0.138 19036 2719 1 4 . 1 1 130 130 ILE N N 130 127.770 127.770 125.322 2.448 19036 2720 1 4 . 1 1 130 130 ILE HA H 130 3.938 3.938 4.049 -0.111 19036 2721 1 4 . 1 1 130 130 ILE CA C 130 63.431 63.431 62.778 0.653 19036 2722 1 4 . 1 1 130 130 ILE CB C 130 38.748 38.748 38.558 0.190 19036 2723 1 4 . 1 1 130 130 ILE H H 130 8.332 8.332 8.604 -0.272 19036 2724 1 4 . 1 1 131 131 ASP N N 131 116.680 116.680 119.488 -2.808 19036 2725 1 4 . 1 1 131 131 ASP HA H 131 4.493 4.493 4.498 -0.005 19036 2726 1 4 . 1 1 131 131 ASP CA C 131 53.734 53.734 54.660 -0.925 19036 2727 1 4 . 1 1 131 131 ASP CB C 131 40.062 40.062 41.302 -1.240 19036 2728 1 4 . 1 1 131 131 ASP H H 131 8.371 8.371 9.176 -0.805 19036 2729 1 4 . 1 1 132 132 GLY N N 132 108.680 108.680 108.931 -0.251 19036 2730 1 4 . 1 1 132 132 GLY CA C 132 47.587 47.587 45.354 2.233 19036 2731 1 4 . 1 1 132 132 GLY H H 132 7.636 7.636 8.242 -0.606 19036 2732 1 4 . 1 1 133 133 ASP N N 133 120.930 120.930 120.733 0.197 19036 2733 1 4 . 1 1 133 133 ASP HA H 133 4.530 4.530 4.553 -0.023 19036 2734 1 4 . 1 1 133 133 ASP CA C 133 53.845 53.845 53.469 0.376 19036 2735 1 4 . 1 1 133 133 ASP CB C 133 40.322 40.322 40.712 -0.390 19036 2736 1 4 . 1 1 133 133 ASP H H 133 8.378 8.378 8.638 -0.260 19036 2737 1 4 . 1 1 134 134 GLY N N 134 112.990 112.990 108.143 4.847 19036 2738 1 4 . 1 1 134 134 GLY CA C 134 45.855 45.855 45.416 0.438 19036 2739 1 4 . 1 1 134 134 GLY H H 134 10.401 10.401 7.937 2.464 19036 2740 1 4 . 1 1 135 135 GLN N N 135 115.490 115.490 117.827 -2.337 19036 2741 1 4 . 1 1 135 135 GLN HA H 135 4.887 4.887 4.710 0.177 19036 2742 1 4 . 1 1 135 135 GLN CA C 135 53.289 53.289 54.133 -0.844 19036 2743 1 4 . 1 1 135 135 GLN CB C 135 32.515 32.515 32.720 -0.205 19036 2744 1 4 . 1 1 135 135 GLN H H 135 8.007 8.007 8.433 -0.426 19036 2745 1 4 . 1 1 136 136 VAL N N 136 125.480 125.480 122.749 2.731 19036 2746 1 4 . 1 1 136 136 VAL HA H 136 5.213 5.213 4.613 0.600 19036 2747 1 4 . 1 1 136 136 VAL CA C 136 61.784 61.784 62.240 -0.457 19036 2748 1 4 . 1 1 136 136 VAL CB C 136 33.839 33.839 32.285 1.554 19036 2749 1 4 . 1 1 136 136 VAL H H 136 9.167 9.167 8.092 1.075 19036 2750 1 4 . 1 1 137 137 ASN N N 137 129.140 129.140 125.026 4.114 19036 2751 1 4 . 1 1 137 137 ASN HA H 137 5.288 5.288 5.234 0.054 19036 2752 1 4 . 1 1 137 137 ASN CA C 137 51.176 51.176 50.687 0.489 19036 2753 1 4 . 1 1 137 137 ASN CB C 137 38.446 38.446 40.317 -1.871 19036 2754 1 4 . 1 1 137 137 ASN H H 137 9.576 9.576 8.080 1.496 19036 2755 1 4 . 1 1 138 138 TYR N N 138 118.600 118.600 121.081 -2.481 19036 2756 1 4 . 1 1 138 138 TYR HA H 138 3.456 3.456 4.099 -0.643 19036 2757 1 4 . 1 1 138 138 TYR CA C 138 62.842 62.842 63.383 -0.541 19036 2758 1 4 . 1 1 138 138 TYR CB C 138 37.805 37.805 37.928 -0.123 19036 2759 1 4 . 1 1 138 138 TYR H H 138 8.464 8.464 8.897 -0.433 19036 2760 1 4 . 1 1 139 139 GLU N N 139 118.470 118.470 119.670 -1.200 19036 2761 1 4 . 1 1 139 139 GLU HA H 139 3.686 3.686 3.928 -0.242 19036 2762 1 4 . 1 1 139 139 GLU CA C 139 60.456 60.456 60.318 0.138 19036 2763 1 4 . 1 1 139 139 GLU CB C 139 29.008 29.008 29.047 -0.039 19036 2764 1 4 . 1 1 139 139 GLU H H 139 8.152 8.152 8.891 -0.739 19036 2765 1 4 . 1 1 140 140 GLU N N 140 119.970 119.970 119.552 0.418 19036 2766 1 4 . 1 1 140 140 GLU HA H 140 4.025 4.025 4.130 -0.105 19036 2767 1 4 . 1 1 140 140 GLU CA C 140 58.655 58.655 59.118 -0.463 19036 2768 1 4 . 1 1 140 140 GLU CB C 140 29.868 29.868 29.581 0.287 19036 2769 1 4 . 1 1 140 140 GLU H H 140 8.815 8.815 8.212 0.603 19036 2770 1 4 . 1 1 141 141 PHE N N 141 124.860 124.860 121.438 3.422 19036 2771 1 4 . 1 1 141 141 PHE HA H 141 4.000 4.000 4.241 -0.241 19036 2772 1 4 . 1 1 141 141 PHE CA C 141 61.733 61.733 61.184 0.549 19036 2773 1 4 . 1 1 141 141 PHE CB C 141 40.089 40.089 39.534 0.555 19036 2774 1 4 . 1 1 141 141 PHE H H 141 8.927 8.927 8.690 0.237 19036 2775 1 4 . 1 1 142 142 VAL N N 142 119.400 119.400 118.824 0.576 19036 2776 1 4 . 1 1 142 142 VAL HA H 142 3.152 3.152 3.476 -0.324 19036 2777 1 4 . 1 1 142 142 VAL CA C 142 67.139 67.139 66.847 0.292 19036 2778 1 4 . 1 1 142 142 VAL CB C 142 31.622 31.622 31.400 0.222 19036 2779 1 4 . 1 1 142 142 VAL H H 142 8.635 8.635 8.921 -0.286 19036 2780 1 4 . 1 1 143 143 GLN N N 143 118.420 118.420 118.177 0.243 19036 2781 1 4 . 1 1 143 143 GLN HA H 143 3.902 3.902 4.039 -0.137 19036 2782 1 4 . 1 1 143 143 GLN CA C 143 58.894 58.894 58.516 0.378 19036 2783 1 4 . 1 1 143 143 GLN CB C 143 28.186 28.186 28.135 0.051 19036 2784 1 4 . 1 1 143 143 GLN H H 143 7.516 7.516 7.666 -0.150 19036 2785 1 4 . 1 1 144 144 MET N N 144 119.410 119.410 118.704 0.706 19036 2786 1 4 . 1 1 144 144 MET HA H 144 4.113 4.113 4.229 -0.116 19036 2787 1 4 . 1 1 144 144 MET CA C 144 58.360 58.360 57.207 1.153 19036 2788 1 4 . 1 1 144 144 MET CB C 144 33.188 33.188 32.188 1.000 19036 2789 1 4 . 1 1 144 144 MET H H 144 7.867 7.867 7.578 0.289 19036 2790 1 4 . 1 1 145 145 MET N N 145 114.770 114.770 113.481 1.289 19036 2791 1 4 . 1 1 145 145 MET HA H 145 4.263 4.263 4.441 -0.178 19036 2792 1 4 . 1 1 145 145 MET CA C 145 55.607 55.607 55.725 -0.118 19036 2793 1 4 . 1 1 145 145 MET CB C 145 32.224 32.224 32.721 -0.497 19036 2794 1 4 . 1 1 145 145 MET H H 145 7.796 7.796 7.279 0.517 19036 2795 1 4 . 1 1 146 146 THR N N 146 111.500 111.500 114.891 -3.391 19036 2796 1 4 . 1 1 146 146 THR HA H 146 4.325 4.325 4.443 -0.118 19036 2797 1 4 . 1 1 146 146 THR CA C 146 62.420 62.420 61.330 1.090 19036 2798 1 4 . 1 1 146 146 THR CB C 146 70.327 70.327 69.242 1.085 19036 2799 1 4 . 1 1 146 146 THR H H 146 7.591 7.591 7.253 0.338 19036 2800 1 4 . 1 1 147 147 ALA N N 147 127.110 127.110 124.301 2.809 19036 2801 1 4 . 1 1 147 147 ALA HA H 147 4.319 4.319 4.621 -0.302 19036 2802 1 4 . 1 1 147 147 ALA CA C 147 52.991 52.991 51.483 1.508 19036 2803 1 4 . 1 1 147 147 ALA CB C 147 19.162 19.162 20.250 -1.088 19036 2804 1 4 . 1 1 147 147 ALA H H 147 7.827 7.827 8.121 -0.294 19036 2805 1 5 . 1 1 2 2 ASP HA H 2 4.654 4.654 4.641 0.013 19036 2806 1 5 . 1 1 2 2 ASP CA C 2 54.799 54.799 54.856 -0.057 19036 2807 1 5 . 1 1 2 2 ASP CB C 2 41.496 41.496 41.146 0.350 19036 2808 1 5 . 1 1 3 3 GLN N N 3 119.900 119.900 118.672 1.228 19036 2809 1 5 . 1 1 3 3 GLN HA H 3 4.399 4.399 4.586 -0.187 19036 2810 1 5 . 1 1 3 3 GLN CA C 3 55.646 55.646 55.157 0.489 19036 2811 1 5 . 1 1 3 3 GLN CB C 3 29.996 29.996 30.762 -0.766 19036 2812 1 5 . 1 1 3 3 GLN H H 3 8.385 8.385 7.734 0.651 19036 2813 1 5 . 1 1 4 4 LEU N N 4 123.270 123.270 121.670 1.600 19036 2814 1 5 . 1 1 4 4 LEU HA H 4 4.681 4.681 4.675 0.006 19036 2815 1 5 . 1 1 4 4 LEU CA C 4 54.516 54.516 54.411 0.105 19036 2816 1 5 . 1 1 4 4 LEU CB C 4 43.666 43.666 44.465 -0.799 19036 2817 1 5 . 1 1 4 4 LEU H H 4 8.351 8.351 8.350 0.001 19036 2818 1 5 . 1 1 5 5 THR N N 5 113.150 113.150 113.243 -0.093 19036 2819 1 5 . 1 1 5 5 THR HA H 5 4.479 4.479 4.582 -0.103 19036 2820 1 5 . 1 1 5 5 THR CA C 5 60.553 60.553 60.801 -0.248 19036 2821 1 5 . 1 1 5 5 THR CB C 5 71.232 71.232 71.435 -0.203 19036 2822 1 5 . 1 1 5 5 THR H H 5 8.764 8.764 8.288 0.476 19036 2823 1 5 . 1 1 6 6 GLU N N 6 120.490 120.490 122.233 -1.743 19036 2824 1 5 . 1 1 6 6 GLU HA H 6 3.994 3.994 3.967 0.027 19036 2825 1 5 . 1 1 6 6 GLU CA C 6 60.091 60.091 59.731 0.360 19036 2826 1 5 . 1 1 6 6 GLU CB C 6 29.307 29.307 29.304 0.003 19036 2827 1 5 . 1 1 6 6 GLU H H 6 9.066 9.066 9.018 0.048 19036 2828 1 5 . 1 1 7 7 GLU N N 7 119.640 119.640 119.388 0.252 19036 2829 1 5 . 1 1 7 7 GLU HA H 7 4.081 4.081 4.022 0.059 19036 2830 1 5 . 1 1 7 7 GLU CA C 7 60.055 60.055 59.215 0.840 19036 2831 1 5 . 1 1 7 7 GLU CB C 7 29.194 29.194 29.075 0.119 19036 2832 1 5 . 1 1 7 7 GLU H H 7 8.769 8.769 8.650 0.119 19036 2833 1 5 . 1 1 8 8 GLN N N 8 120.420 120.420 117.962 2.458 19036 2834 1 5 . 1 1 8 8 GLN HA H 8 3.857 3.857 3.988 -0.131 19036 2835 1 5 . 1 1 8 8 GLN CA C 8 58.691 58.691 58.250 0.441 19036 2836 1 5 . 1 1 8 8 GLN CB C 8 29.295 29.295 28.528 0.767 19036 2837 1 5 . 1 1 8 8 GLN H H 8 7.779 7.779 7.462 0.317 19036 2838 1 5 . 1 1 9 9 ILE N N 9 119.530 119.530 120.021 -0.491 19036 2839 1 5 . 1 1 9 9 ILE HA H 9 3.699 3.699 3.812 -0.113 19036 2840 1 5 . 1 1 9 9 ILE CA C 9 66.284 66.284 65.015 1.269 19036 2841 1 5 . 1 1 9 9 ILE CB C 9 37.882 37.882 37.649 0.233 19036 2842 1 5 . 1 1 9 9 ILE H H 9 8.391 8.391 7.454 0.937 19036 2843 1 5 . 1 1 10 10 ALA N N 10 121.270 121.270 121.908 -0.638 19036 2844 1 5 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.976 0.164 19036 2845 1 5 . 1 1 10 10 ALA CA C 10 55.569 55.569 55.402 0.167 19036 2846 1 5 . 1 1 10 10 ALA CB C 10 17.977 17.977 17.855 0.122 19036 2847 1 5 . 1 1 10 10 ALA H H 10 8.040 8.040 7.855 0.185 19036 2848 1 5 . 1 1 11 11 GLU N N 11 119.830 119.830 119.458 0.372 19036 2849 1 5 . 1 1 11 11 GLU HA H 11 4.159 4.159 4.002 0.157 19036 2850 1 5 . 1 1 11 11 GLU CA C 11 59.438 59.438 59.264 0.174 19036 2851 1 5 . 1 1 11 11 GLU CB C 11 29.098 29.098 29.500 -0.402 19036 2852 1 5 . 1 1 11 11 GLU H H 11 7.841 7.841 7.855 -0.014 19036 2853 1 5 . 1 1 12 12 PHE N N 12 120.250 120.250 117.284 2.966 19036 2854 1 5 . 1 1 12 12 PHE HA H 12 5.033 5.033 4.756 0.277 19036 2855 1 5 . 1 1 12 12 PHE CA C 12 59.113 59.113 58.281 0.832 19036 2856 1 5 . 1 1 12 12 PHE CB C 12 37.727 37.727 38.572 -0.845 19036 2857 1 5 . 1 1 12 12 PHE H H 12 8.641 8.641 7.550 1.091 19036 2858 1 5 . 1 1 13 13 LYS N N 13 123.680 123.680 121.655 2.025 19036 2859 1 5 . 1 1 13 13 LYS HA H 13 4.038 4.038 4.187 -0.149 19036 2860 1 5 . 1 1 13 13 LYS CA C 13 60.228 60.228 60.633 -0.405 19036 2861 1 5 . 1 1 13 13 LYS CB C 13 32.020 32.020 32.268 -0.248 19036 2862 1 5 . 1 1 13 13 LYS H H 13 9.273 9.273 8.847 0.426 19036 2863 1 5 . 1 1 14 14 GLU N N 14 120.480 120.480 119.118 1.362 19036 2864 1 5 . 1 1 14 14 GLU HA H 14 4.150 4.150 4.093 0.057 19036 2865 1 5 . 1 1 14 14 GLU CA C 14 59.283 59.283 59.474 -0.191 19036 2866 1 5 . 1 1 14 14 GLU CB C 14 29.163 29.163 29.664 -0.501 19036 2867 1 5 . 1 1 14 14 GLU H H 14 7.873 7.873 7.872 0.001 19036 2868 1 5 . 1 1 15 15 ALA N N 15 122.590 122.590 122.111 0.479 19036 2869 1 5 . 1 1 15 15 ALA HA H 15 4.285 4.285 4.200 0.085 19036 2870 1 5 . 1 1 15 15 ALA CA C 15 55.370 55.370 54.846 0.524 19036 2871 1 5 . 1 1 15 15 ALA CB C 15 18.190 18.190 18.712 -0.522 19036 2872 1 5 . 1 1 15 15 ALA H H 15 8.045 8.045 7.614 0.431 19036 2873 1 5 . 1 1 16 16 PHE N N 16 119.110 119.110 120.050 -0.940 19036 2874 1 5 . 1 1 16 16 PHE HA H 16 3.314 3.314 4.053 -0.739 19036 2875 1 5 . 1 1 16 16 PHE CA C 16 62.091 62.091 60.984 1.107 19036 2876 1 5 . 1 1 16 16 PHE CB C 16 39.813 39.813 39.462 0.351 19036 2877 1 5 . 1 1 16 16 PHE H H 16 8.804 8.804 8.895 -0.091 19036 2878 1 5 . 1 1 17 17 SER N N 17 113.200 113.200 114.216 -1.016 19036 2879 1 5 . 1 1 17 17 SER HA H 17 4.139 4.139 4.103 0.036 19036 2880 1 5 . 1 1 17 17 SER CA C 17 61.542 61.542 61.146 0.396 19036 2881 1 5 . 1 1 17 17 SER CB C 17 63.424 63.424 62.883 0.541 19036 2882 1 5 . 1 1 17 17 SER H H 17 8.083 8.083 8.148 -0.065 19036 2883 1 5 . 1 1 18 18 LEU N N 18 120.840 120.840 121.085 -0.245 19036 2884 1 5 . 1 1 18 18 LEU HA H 18 3.981 3.981 4.015 -0.034 19036 2885 1 5 . 1 1 18 18 LEU CA C 18 57.258 57.258 57.243 0.015 19036 2886 1 5 . 1 1 18 18 LEU CB C 18 41.565 41.565 41.990 -0.425 19036 2887 1 5 . 1 1 18 18 LEU H H 18 7.436 7.436 7.302 0.134 19036 2888 1 5 . 1 1 19 19 PHE N N 19 114.020 114.020 114.587 -0.567 19036 2889 1 5 . 1 1 19 19 PHE HA H 19 4.237 4.237 4.157 0.080 19036 2890 1 5 . 1 1 19 19 PHE CA C 19 59.258 59.258 60.053 -0.795 19036 2891 1 5 . 1 1 19 19 PHE CB C 19 41.732 41.732 39.149 2.583 19036 2892 1 5 . 1 1 19 19 PHE H H 19 7.180 7.180 7.365 -0.185 19036 2893 1 5 . 1 1 20 20 ASP N N 20 117.440 117.440 118.492 -1.052 19036 2894 1 5 . 1 1 20 20 ASP HA H 20 4.579 4.579 4.574 0.005 19036 2895 1 5 . 1 1 20 20 ASP CA C 20 52.295 52.295 52.704 -0.409 19036 2896 1 5 . 1 1 20 20 ASP CB C 20 39.167 39.167 39.261 -0.094 19036 2897 1 5 . 1 1 20 20 ASP H H 20 7.844 7.844 7.508 0.336 19036 2898 1 5 . 1 1 21 21 LYS N N 21 124.410 124.410 124.588 -0.178 19036 2899 1 5 . 1 1 21 21 LYS HA H 21 3.990 3.990 3.965 0.025 19036 2900 1 5 . 1 1 21 21 LYS CA C 21 58.379 58.379 58.728 -0.349 19036 2901 1 5 . 1 1 21 21 LYS CB C 21 32.623 32.623 32.447 0.177 19036 2902 1 5 . 1 1 21 21 LYS H H 21 7.728 7.728 7.888 -0.160 19036 2903 1 5 . 1 1 22 22 ASP N N 22 114.060 114.060 117.581 -3.521 19036 2904 1 5 . 1 1 22 22 ASP HA H 22 4.625 4.625 4.481 0.144 19036 2905 1 5 . 1 1 22 22 ASP CA C 22 52.921 52.921 55.714 -2.793 19036 2906 1 5 . 1 1 22 22 ASP CB C 22 39.728 39.728 40.837 -1.109 19036 2907 1 5 . 1 1 22 22 ASP H H 22 8.095 8.095 9.017 -0.922 19036 2908 1 5 . 1 1 23 23 GLY N N 23 109.390 109.390 107.693 1.697 19036 2909 1 5 . 1 1 23 23 GLY CA C 23 47.250 47.250 46.053 1.197 19036 2910 1 5 . 1 1 23 23 GLY H H 23 7.717 7.717 7.839 -0.122 19036 2911 1 5 . 1 1 24 24 ASP N N 24 120.860 120.860 120.238 0.622 19036 2912 1 5 . 1 1 24 24 ASP HA H 24 4.564 4.564 4.626 -0.062 19036 2913 1 5 . 1 1 24 24 ASP CA C 24 53.918 53.918 52.889 1.028 19036 2914 1 5 . 1 1 24 24 ASP CB C 24 40.569 40.569 40.204 0.365 19036 2915 1 5 . 1 1 24 24 ASP H H 24 8.472 8.472 8.149 0.323 19036 2916 1 5 . 1 1 25 25 GLY N N 25 113.090 113.090 109.055 4.035 19036 2917 1 5 . 1 1 25 25 GLY CA C 25 45.542 45.542 45.719 -0.177 19036 2918 1 5 . 1 1 25 25 GLY H H 25 10.619 10.619 8.467 2.152 19036 2919 1 5 . 1 1 26 26 THR N N 26 112.600 112.600 110.518 2.082 19036 2920 1 5 . 1 1 26 26 THR HA H 26 5.391 5.391 5.236 0.155 19036 2921 1 5 . 1 1 26 26 THR CA C 26 59.883 59.883 59.774 0.109 19036 2922 1 5 . 1 1 26 26 THR CB C 26 72.786 72.786 72.571 0.215 19036 2923 1 5 . 1 1 26 26 THR H H 26 8.211 8.211 8.644 -0.433 19036 2924 1 5 . 1 1 27 27 ILE N N 27 126.830 126.830 123.820 3.010 19036 2925 1 5 . 1 1 27 27 ILE HA H 27 4.895 4.895 4.661 0.234 19036 2926 1 5 . 1 1 27 27 ILE CA C 27 60.856 60.856 60.318 0.538 19036 2927 1 5 . 1 1 27 27 ILE CB C 27 39.926 39.926 39.925 0.001 19036 2928 1 5 . 1 1 27 27 ILE H H 27 9.876 9.876 8.410 1.466 19036 2929 1 5 . 1 1 28 28 THR N N 28 116.500 116.500 117.183 -0.683 19036 2930 1 5 . 1 1 28 28 THR HA H 28 4.811 4.811 4.931 -0.120 19036 2931 1 5 . 1 1 28 28 THR CA C 28 59.216 59.216 59.800 -0.584 19036 2932 1 5 . 1 1 28 28 THR CB C 28 72.541 72.541 71.838 0.703 19036 2933 1 5 . 1 1 28 28 THR H H 28 8.439 8.439 9.364 -0.925 19036 2934 1 5 . 1 1 29 29 THR N N 29 112.850 112.850 115.209 -2.359 19036 2935 1 5 . 1 1 29 29 THR HA H 29 3.807 3.807 3.905 -0.098 19036 2936 1 5 . 1 1 29 29 THR CA C 29 66.516 66.516 66.612 -0.096 19036 2937 1 5 . 1 1 29 29 THR CB C 29 68.018 68.018 68.548 -0.530 19036 2938 1 5 . 1 1 29 29 THR H H 29 9.238 9.238 9.018 0.220 19036 2939 1 5 . 1 1 30 30 LYS N N 30 121.130 121.130 122.394 -1.264 19036 2940 1 5 . 1 1 30 30 LYS HA H 30 4.170 4.170 4.072 0.098 19036 2941 1 5 . 1 1 30 30 LYS CA C 30 59.377 59.377 59.566 -0.188 19036 2942 1 5 . 1 1 30 30 LYS CB C 30 32.823 32.823 31.897 0.926 19036 2943 1 5 . 1 1 30 30 LYS H H 30 7.688 7.688 8.224 -0.536 19036 2944 1 5 . 1 1 31 31 GLU N N 31 121.920 121.920 120.059 1.861 19036 2945 1 5 . 1 1 31 31 GLU HA H 31 4.062 4.062 4.023 0.039 19036 2946 1 5 . 1 1 31 31 GLU CA C 31 59.579 59.579 59.452 0.127 19036 2947 1 5 . 1 1 31 31 GLU CB C 31 29.837 29.837 29.651 0.186 19036 2948 1 5 . 1 1 31 31 GLU H H 31 7.783 7.783 7.530 0.253 19036 2949 1 5 . 1 1 32 32 LEU N N 32 120.570 120.570 120.587 -0.017 19036 2950 1 5 . 1 1 32 32 LEU HA H 32 4.145 4.145 4.078 0.067 19036 2951 1 5 . 1 1 32 32 LEU CA C 32 58.321 58.321 57.997 0.324 19036 2952 1 5 . 1 1 32 32 LEU CB C 32 42.697 42.697 42.107 0.590 19036 2953 1 5 . 1 1 32 32 LEU H H 32 8.705 8.705 8.029 0.676 19036 2954 1 5 . 1 1 33 33 GLY N N 33 105.720 105.720 105.812 -0.092 19036 2955 1 5 . 1 1 33 33 GLY H H 33 8.753 8.753 8.161 0.592 19036 2956 1 5 . 1 1 34 34 THR N N 34 118.370 118.370 119.012 -0.642 19036 2957 1 5 . 1 1 34 34 THR HA H 34 3.961 3.961 3.950 0.011 19036 2958 1 5 . 1 1 34 34 THR CA C 34 67.097 67.097 67.469 -0.372 19036 2959 1 5 . 1 1 34 34 THR CB C 34 68.869 68.869 68.770 0.099 19036 2960 1 5 . 1 1 34 34 THR H H 34 8.071 8.071 7.957 0.114 19036 2961 1 5 . 1 1 35 35 VAL N N 35 122.170 122.170 122.084 0.086 19036 2962 1 5 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.859 -0.250 19036 2963 1 5 . 1 1 35 35 VAL CA C 35 66.538 66.538 64.978 1.560 19036 2964 1 5 . 1 1 35 35 VAL CB C 35 31.589 31.589 31.637 -0.048 19036 2965 1 5 . 1 1 35 35 VAL H H 35 7.738 7.738 7.623 0.115 19036 2966 1 5 . 1 1 36 36 MET N N 36 118.620 118.620 119.359 -0.739 19036 2967 1 5 . 1 1 36 36 MET HA H 36 4.043 4.043 4.108 -0.065 19036 2968 1 5 . 1 1 36 36 MET CA C 36 59.594 59.594 58.959 0.635 19036 2969 1 5 . 1 1 36 36 MET CB C 36 31.850 31.850 32.414 -0.564 19036 2970 1 5 . 1 1 36 36 MET H H 36 8.559 8.559 8.706 -0.147 19036 2971 1 5 . 1 1 37 37 ARG N N 37 118.920 118.920 119.526 -0.606 19036 2972 1 5 . 1 1 37 37 ARG HA H 37 4.798 4.798 4.202 0.596 19036 2973 1 5 . 1 1 37 37 ARG CA C 37 59.518 59.518 59.668 -0.150 19036 2974 1 5 . 1 1 37 37 ARG CB C 37 30.189 30.189 29.959 0.230 19036 2975 1 5 . 1 1 37 37 ARG H H 37 8.638 8.638 8.695 -0.057 19036 2976 1 5 . 1 1 38 38 SER N N 38 119.000 119.000 116.087 2.913 19036 2977 1 5 . 1 1 38 38 SER HA H 38 4.420 4.420 4.202 0.218 19036 2978 1 5 . 1 1 38 38 SER CA C 38 61.682 61.682 61.078 0.604 19036 2979 1 5 . 1 1 38 38 SER CB C 38 62.890 62.890 62.709 0.180 19036 2980 1 5 . 1 1 38 38 SER H H 38 7.994 7.994 7.531 0.463 19036 2981 1 5 . 1 1 39 39 LEU N N 39 120.790 120.790 121.506 -0.716 19036 2982 1 5 . 1 1 39 39 LEU HA H 39 4.498 4.498 4.275 0.223 19036 2983 1 5 . 1 1 39 39 LEU CA C 39 54.405 54.405 54.861 -0.456 19036 2984 1 5 . 1 1 39 39 LEU CB C 39 41.979 41.979 41.811 0.168 19036 2985 1 5 . 1 1 39 39 LEU H H 39 7.426 7.426 7.461 -0.035 19036 2986 1 5 . 1 1 40 40 GLY N N 40 106.830 106.830 107.927 -1.097 19036 2987 1 5 . 1 1 40 40 GLY CA C 40 45.713 45.713 45.189 0.524 19036 2988 1 5 . 1 1 40 40 GLY H H 40 7.896 7.896 7.865 0.031 19036 2989 1 5 . 1 1 41 41 GLN N N 41 118.330 118.330 118.955 -0.625 19036 2990 1 5 . 1 1 41 41 GLN HA H 41 4.503 4.503 4.528 -0.025 19036 2991 1 5 . 1 1 41 41 GLN CA C 41 54.585 54.585 54.125 0.460 19036 2992 1 5 . 1 1 41 41 GLN CB C 41 30.591 30.591 31.959 -1.369 19036 2993 1 5 . 1 1 41 41 GLN H H 41 7.865 7.865 7.779 0.086 19036 2994 1 5 . 1 1 42 42 ASN N N 42 116.490 116.490 119.308 -2.818 19036 2995 1 5 . 1 1 42 42 ASN HA H 42 5.214 5.214 5.001 0.213 19036 2996 1 5 . 1 1 42 42 ASN CA C 42 51.351 51.351 51.175 0.177 19036 2997 1 5 . 1 1 42 42 ASN CB C 42 39.402 39.402 39.153 0.249 19036 2998 1 5 . 1 1 42 42 ASN H H 42 8.771 8.771 8.466 0.305 19036 2999 1 5 . 1 1 43 43 PRO HA H 43 4.779 4.779 4.838 -0.059 19036 3000 1 5 . 1 1 43 43 PRO CA C 43 62.475 62.475 62.728 -0.253 19036 3001 1 5 . 1 1 43 43 PRO CB C 43 32.084 32.084 33.694 -1.611 19036 3002 1 5 . 1 1 44 44 THR N N 44 113.050 113.050 112.573 0.477 19036 3003 1 5 . 1 1 44 44 THR HA H 44 4.487 4.487 4.627 -0.140 19036 3004 1 5 . 1 1 44 44 THR CA C 44 60.565 60.565 60.259 0.306 19036 3005 1 5 . 1 1 44 44 THR CB C 44 71.260 71.260 72.122 -0.862 19036 3006 1 5 . 1 1 44 44 THR H H 44 8.808 8.808 8.246 0.562 19036 3007 1 5 . 1 1 45 45 GLU N N 45 120.700 120.700 122.618 -1.918 19036 3008 1 5 . 1 1 45 45 GLU HA H 45 4.001 4.001 3.862 0.139 19036 3009 1 5 . 1 1 45 45 GLU CA C 45 60.082 60.082 60.287 -0.205 19036 3010 1 5 . 1 1 45 45 GLU CB C 45 29.129 29.129 29.252 -0.123 19036 3011 1 5 . 1 1 45 45 GLU H H 45 8.842 8.842 9.005 -0.163 19036 3012 1 5 . 1 1 46 46 ALA N N 46 120.880 120.880 121.583 -0.703 19036 3013 1 5 . 1 1 46 46 ALA HA H 46 4.125 4.125 4.148 -0.023 19036 3014 1 5 . 1 1 46 46 ALA CA C 46 55.125 55.125 54.867 0.258 19036 3015 1 5 . 1 1 46 46 ALA CB C 46 18.342 18.342 18.012 0.330 19036 3016 1 5 . 1 1 46 46 ALA H H 46 8.305 8.305 8.308 -0.003 19036 3017 1 5 . 1 1 47 47 GLU N N 47 118.780 118.780 119.611 -0.831 19036 3018 1 5 . 1 1 47 47 GLU HA H 47 4.040 4.040 4.061 -0.021 19036 3019 1 5 . 1 1 47 47 GLU CA C 47 59.144 59.144 59.138 0.006 19036 3020 1 5 . 1 1 47 47 GLU CB C 47 29.886 29.886 29.640 0.246 19036 3021 1 5 . 1 1 47 47 GLU H H 47 7.736 7.736 7.599 0.137 19036 3022 1 5 . 1 1 48 48 LEU N N 48 120.120 120.120 119.496 0.624 19036 3023 1 5 . 1 1 48 48 LEU HA H 48 4.079 4.079 3.942 0.137 19036 3024 1 5 . 1 1 48 48 LEU CA C 48 57.955 57.955 57.785 0.170 19036 3025 1 5 . 1 1 48 48 LEU CB C 48 42.516 42.516 41.852 0.664 19036 3026 1 5 . 1 1 48 48 LEU H H 48 8.169 8.169 7.890 0.279 19036 3027 1 5 . 1 1 49 49 GLN N N 49 118.390 118.390 119.288 -0.898 19036 3028 1 5 . 1 1 49 49 GLN HA H 49 3.849 3.849 3.921 -0.072 19036 3029 1 5 . 1 1 49 49 GLN CA C 49 58.676 58.676 59.086 -0.410 19036 3030 1 5 . 1 1 49 49 GLN CB C 49 28.341 28.341 28.119 0.222 19036 3031 1 5 . 1 1 49 49 GLN H H 49 8.235 8.235 8.353 -0.118 19036 3032 1 5 . 1 1 50 50 ASP N N 50 120.090 120.090 120.255 -0.165 19036 3033 1 5 . 1 1 50 50 ASP HA H 50 4.439 4.439 4.362 0.077 19036 3034 1 5 . 1 1 50 50 ASP CA C 50 57.643 57.643 56.950 0.693 19036 3035 1 5 . 1 1 50 50 ASP CB C 50 40.366 40.366 40.644 -0.278 19036 3036 1 5 . 1 1 50 50 ASP H H 50 8.164 8.164 7.824 0.340 19036 3037 1 5 . 1 1 51 51 MET N N 51 119.330 119.330 118.877 0.453 19036 3038 1 5 . 1 1 51 51 MET HA H 51 4.021 4.021 4.067 -0.046 19036 3039 1 5 . 1 1 51 51 MET CA C 51 59.332 59.332 59.550 -0.217 19036 3040 1 5 . 1 1 51 51 MET CB C 51 33.713 33.713 33.072 0.641 19036 3041 1 5 . 1 1 51 51 MET H H 51 7.909 7.909 7.468 0.441 19036 3042 1 5 . 1 1 52 52 ILE N N 52 118.080 118.080 116.988 1.092 19036 3043 1 5 . 1 1 52 52 ILE HA H 52 3.581 3.581 3.666 -0.085 19036 3044 1 5 . 1 1 52 52 ILE CA C 52 64.476 64.476 64.568 -0.092 19036 3045 1 5 . 1 1 52 52 ILE CB C 52 37.177 37.177 37.393 -0.216 19036 3046 1 5 . 1 1 52 52 ILE H H 52 7.767 7.767 7.851 -0.084 19036 3047 1 5 . 1 1 53 53 ASN N N 53 117.980 117.980 119.174 -1.194 19036 3048 1 5 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.451 -0.034 19036 3049 1 5 . 1 1 53 53 ASN CA C 53 55.988 55.988 56.138 -0.150 19036 3050 1 5 . 1 1 53 53 ASN CB C 53 38.211 38.211 38.105 0.106 19036 3051 1 5 . 1 1 53 53 ASN H H 53 8.669 8.669 8.601 0.068 19036 3052 1 5 . 1 1 54 54 GLU N N 54 116.350 116.350 118.652 -2.302 19036 3053 1 5 . 1 1 54 54 GLU HA H 54 4.066 4.066 4.176 -0.110 19036 3054 1 5 . 1 1 54 54 GLU CA C 54 58.930 58.930 58.557 0.373 19036 3055 1 5 . 1 1 54 54 GLU CB C 54 30.404 30.404 29.876 0.528 19036 3056 1 5 . 1 1 54 54 GLU H H 54 7.566 7.566 7.932 -0.366 19036 3057 1 5 . 1 1 55 55 VAL N N 55 110.520 110.520 117.691 -7.171 19036 3058 1 5 . 1 1 55 55 VAL HA H 55 4.366 4.366 4.311 0.055 19036 3059 1 5 . 1 1 55 55 VAL CA C 55 61.089 61.089 60.828 0.261 19036 3060 1 5 . 1 1 55 55 VAL CB C 55 33.088 33.088 32.759 0.329 19036 3061 1 5 . 1 1 55 55 VAL H H 55 7.242 7.242 7.367 -0.125 19036 3062 1 5 . 1 1 56 56 ASP N N 56 121.390 121.390 121.466 -0.076 19036 3063 1 5 . 1 1 56 56 ASP HA H 56 4.582 4.582 4.690 -0.108 19036 3064 1 5 . 1 1 56 56 ASP CA C 56 53.916 53.916 53.352 0.564 19036 3065 1 5 . 1 1 56 56 ASP CB C 56 40.588 40.588 40.275 0.313 19036 3066 1 5 . 1 1 56 56 ASP H H 56 7.749 7.749 7.523 0.226 19036 3067 1 5 . 1 1 57 57 ALA N N 57 131.640 131.640 129.886 1.754 19036 3068 1 5 . 1 1 57 57 ALA HA H 57 4.247 4.247 4.225 0.022 19036 3069 1 5 . 1 1 57 57 ALA CA C 57 54.341 54.341 53.435 0.906 19036 3070 1 5 . 1 1 57 57 ALA CB C 57 19.800 19.800 19.998 -0.198 19036 3071 1 5 . 1 1 57 57 ALA H H 57 8.323 8.323 8.395 -0.072 19036 3072 1 5 . 1 1 58 58 ASP N N 58 114.000 114.000 116.391 -2.391 19036 3073 1 5 . 1 1 58 58 ASP HA H 58 4.682 4.682 4.635 0.047 19036 3074 1 5 . 1 1 58 58 ASP CA C 58 52.705 52.705 53.177 -0.472 19036 3075 1 5 . 1 1 58 58 ASP CB C 58 39.931 39.931 40.698 -0.767 19036 3076 1 5 . 1 1 58 58 ASP H H 58 8.240 8.240 7.988 0.252 19036 3077 1 5 . 1 1 59 59 GLY N N 59 108.660 108.660 108.709 -0.049 19036 3078 1 5 . 1 1 59 59 GLY CA C 59 47.306 47.306 46.052 1.254 19036 3079 1 5 . 1 1 59 59 GLY H H 59 7.635 7.635 8.637 -1.002 19036 3080 1 5 . 1 1 60 60 ASN N N 60 118.730 118.730 119.351 -0.621 19036 3081 1 5 . 1 1 60 60 ASN HA H 60 4.658 4.658 4.726 -0.068 19036 3082 1 5 . 1 1 60 60 ASN CA C 60 52.805 52.805 52.029 0.776 19036 3083 1 5 . 1 1 60 60 ASN CB C 60 37.716 37.716 38.648 -0.932 19036 3084 1 5 . 1 1 60 60 ASN H H 60 8.184 8.184 9.055 -0.871 19036 3085 1 5 . 1 1 61 61 GLY N N 61 113.430 113.430 109.486 3.944 19036 3086 1 5 . 1 1 61 61 GLY CA C 61 45.753 45.753 46.124 -0.371 19036 3087 1 5 . 1 1 61 61 GLY H H 61 10.605 10.605 8.470 2.135 19036 3088 1 5 . 1 1 62 62 THR N N 62 108.750 108.750 109.780 -1.030 19036 3089 1 5 . 1 1 62 62 THR HA H 62 4.874 4.874 4.900 -0.026 19036 3090 1 5 . 1 1 62 62 THR CA C 62 59.541 59.541 59.749 -0.208 19036 3091 1 5 . 1 1 62 62 THR CB C 62 72.168 72.168 72.326 -0.158 19036 3092 1 5 . 1 1 62 62 THR H H 62 7.699 7.699 8.346 -0.647 19036 3093 1 5 . 1 1 63 63 ILE N N 63 123.510 123.510 123.184 0.326 19036 3094 1 5 . 1 1 63 63 ILE HA H 63 5.160 5.160 4.680 0.480 19036 3095 1 5 . 1 1 63 63 ILE CA C 63 59.959 59.959 60.535 -0.576 19036 3096 1 5 . 1 1 63 63 ILE CB C 63 39.836 39.836 39.419 0.417 19036 3097 1 5 . 1 1 63 63 ILE H H 63 8.823 8.823 8.126 0.697 19036 3098 1 5 . 1 1 64 64 ASP N N 64 128.370 128.370 127.799 0.571 19036 3099 1 5 . 1 1 64 64 ASP HA H 64 5.463 5.463 5.131 0.332 19036 3100 1 5 . 1 1 64 64 ASP CA C 64 52.257 52.257 53.068 -0.811 19036 3101 1 5 . 1 1 64 64 ASP CB C 64 42.416 42.416 42.522 -0.106 19036 3102 1 5 . 1 1 64 64 ASP H H 64 8.946 8.946 8.318 0.628 19036 3103 1 5 . 1 1 65 65 PHE N N 65 118.870 118.870 123.198 -4.328 19036 3104 1 5 . 1 1 65 65 PHE HA H 65 4.028 4.028 3.995 0.033 19036 3105 1 5 . 1 1 65 65 PHE CA C 65 63.404 63.404 63.614 -0.210 19036 3106 1 5 . 1 1 65 65 PHE CB C 65 36.123 36.123 37.132 -1.009 19036 3107 1 5 . 1 1 65 65 PHE H H 65 9.000 9.000 8.987 0.013 19036 3108 1 5 . 1 1 66 66 PRO HA H 66 3.918 3.918 4.079 -0.161 19036 3109 1 5 . 1 1 66 66 PRO CA C 66 66.799 66.799 66.231 0.568 19036 3110 1 5 . 1 1 66 66 PRO CB C 66 30.789 30.789 31.142 -0.353 19036 3111 1 5 . 1 1 67 67 GLU N N 67 117.930 117.930 119.014 -1.084 19036 3112 1 5 . 1 1 67 67 GLU HA H 67 4.088 4.088 3.982 0.106 19036 3113 1 5 . 1 1 67 67 GLU CA C 67 58.965 58.965 59.563 -0.598 19036 3114 1 5 . 1 1 67 67 GLU CB C 67 29.677 29.677 29.182 0.495 19036 3115 1 5 . 1 1 67 67 GLU H H 67 8.185 8.185 7.555 0.630 19036 3116 1 5 . 1 1 68 68 PHE N N 68 123.830 123.830 121.385 2.445 19036 3117 1 5 . 1 1 68 68 PHE HA H 68 3.957 3.957 4.135 -0.178 19036 3118 1 5 . 1 1 68 68 PHE CA C 68 61.439 61.439 60.597 0.842 19036 3119 1 5 . 1 1 68 68 PHE CB C 68 40.429 40.429 38.995 1.435 19036 3120 1 5 . 1 1 68 68 PHE H H 68 8.794 8.794 8.405 0.389 19036 3121 1 5 . 1 1 69 69 LEU N N 69 119.410 119.410 119.503 -0.093 19036 3122 1 5 . 1 1 69 69 LEU HA H 69 3.394 3.394 3.177 0.217 19036 3123 1 5 . 1 1 69 69 LEU CA C 69 58.042 58.042 57.666 0.376 19036 3124 1 5 . 1 1 69 69 LEU CB C 69 41.246 41.246 41.242 0.004 19036 3125 1 5 . 1 1 69 69 LEU H H 69 8.662 8.662 8.238 0.424 19036 3126 1 5 . 1 1 70 70 THR N N 70 115.700 115.700 115.492 0.208 19036 3127 1 5 . 1 1 70 70 THR HA H 70 3.783 3.783 3.706 0.077 19036 3128 1 5 . 1 1 70 70 THR CA C 70 66.623 66.623 66.847 -0.225 19036 3129 1 5 . 1 1 70 70 THR CB C 70 68.592 68.592 68.575 0.017 19036 3130 1 5 . 1 1 70 70 THR H H 70 7.744 7.744 7.796 -0.052 19036 3131 1 5 . 1 1 71 71 MET N N 71 121.350 121.350 121.372 -0.022 19036 3132 1 5 . 1 1 71 71 MET HA H 71 3.889 3.889 3.929 -0.040 19036 3133 1 5 . 1 1 71 71 MET CA C 71 58.859 58.859 58.919 -0.060 19036 3134 1 5 . 1 1 71 71 MET CB C 71 32.676 32.676 32.586 0.090 19036 3135 1 5 . 1 1 71 71 MET H H 71 7.622 7.622 7.370 0.252 19036 3136 1 5 . 1 1 72 72 MET N N 72 117.390 117.390 115.510 1.880 19036 3137 1 5 . 1 1 72 72 MET HA H 72 3.973 3.973 3.901 0.072 19036 3138 1 5 . 1 1 72 72 MET CA C 72 56.030 56.030 57.029 -0.999 19036 3139 1 5 . 1 1 72 72 MET CB C 72 30.934 30.934 31.072 -0.138 19036 3140 1 5 . 1 1 72 72 MET H H 72 8.066 8.066 7.385 0.681 19036 3141 1 5 . 1 1 73 73 ALA N N 73 121.670 121.670 121.510 0.160 19036 3142 1 5 . 1 1 73 73 ALA HA H 73 4.103 4.103 4.156 -0.053 19036 3143 1 5 . 1 1 73 73 ALA CA C 73 54.517 54.517 53.778 0.739 19036 3144 1 5 . 1 1 73 73 ALA CB C 73 18.381 18.381 18.454 -0.073 19036 3145 1 5 . 1 1 73 73 ALA H H 73 8.276 8.276 7.681 0.595 19036 3146 1 5 . 1 1 74 74 ARG N N 74 117.220 117.220 118.826 -1.606 19036 3147 1 5 . 1 1 74 74 ARG HA H 74 4.113 4.113 3.918 0.195 19036 3148 1 5 . 1 1 74 74 ARG CA C 74 58.327 58.327 58.660 -0.333 19036 3149 1 5 . 1 1 74 74 ARG CB C 74 30.378 30.378 29.426 0.952 19036 3150 1 5 . 1 1 74 74 ARG H H 74 7.539 7.539 7.853 -0.314 19036 3151 1 5 . 1 1 75 75 LYS N N 75 119.120 119.120 119.921 -0.801 19036 3152 1 5 . 1 1 75 75 LYS HA H 75 4.261 4.261 4.013 0.248 19036 3153 1 5 . 1 1 75 75 LYS CA C 75 56.990 56.990 58.951 -1.961 19036 3154 1 5 . 1 1 75 75 LYS CB C 75 32.412 32.412 31.898 0.514 19036 3155 1 5 . 1 1 75 75 LYS H H 75 7.833 7.833 7.352 0.481 19036 3156 1 5 . 1 1 76 76 MET N N 76 118.860 118.860 117.497 1.363 19036 3157 1 5 . 1 1 76 76 MET HA H 76 4.370 4.370 4.275 0.095 19036 3158 1 5 . 1 1 76 76 MET CA C 76 56.700 56.700 57.665 -0.965 19036 3159 1 5 . 1 1 76 76 MET CB C 76 32.981 32.981 32.440 0.541 19036 3160 1 5 . 1 1 76 76 MET H H 76 8.000 8.000 7.857 0.143 19036 3161 1 5 . 1 1 77 77 LYS N N 77 120.200 120.200 119.309 0.891 19036 3162 1 5 . 1 1 77 77 LYS HA H 77 4.352 4.352 4.119 0.233 19036 3163 1 5 . 1 1 77 77 LYS CA C 77 56.709 56.709 56.970 -0.261 19036 3164 1 5 . 1 1 77 77 LYS CB C 77 33.138 33.138 33.028 0.110 19036 3165 1 5 . 1 1 77 77 LYS H H 77 7.866 7.866 7.702 0.164 19036 3166 1 5 . 1 1 78 78 ASP N N 78 121.430 121.430 117.004 4.426 19036 3167 1 5 . 1 1 78 78 ASP HA H 78 4.691 4.691 4.378 0.313 19036 3168 1 5 . 1 1 78 78 ASP CA C 78 54.771 54.771 55.264 -0.493 19036 3169 1 5 . 1 1 78 78 ASP CB C 78 41.222 41.222 39.548 1.674 19036 3170 1 5 . 1 1 78 78 ASP H H 78 8.250 8.250 8.308 -0.058 19036 3171 1 5 . 1 1 79 79 THR N N 79 114.390 114.390 113.303 1.087 19036 3172 1 5 . 1 1 79 79 THR HA H 79 4.337 4.337 4.297 0.040 19036 3173 1 5 . 1 1 79 79 THR CA C 79 62.349 62.349 63.038 -0.689 19036 3174 1 5 . 1 1 79 79 THR CB C 79 69.875 69.875 68.923 0.952 19036 3175 1 5 . 1 1 79 79 THR H H 79 8.093 8.093 8.266 -0.173 19036 3176 1 5 . 1 1 80 80 ASP N N 80 123.460 123.460 122.582 0.878 19036 3177 1 5 . 1 1 80 80 ASP HA H 80 4.721 4.721 4.627 0.094 19036 3178 1 5 . 1 1 80 80 ASP CA C 80 54.655 54.655 55.551 -0.896 19036 3179 1 5 . 1 1 80 80 ASP CB C 80 41.416 41.416 40.361 1.055 19036 3180 1 5 . 1 1 80 80 ASP H H 80 8.455 8.455 8.576 -0.121 19036 3181 1 5 . 1 1 81 81 SER N N 81 117.440 117.440 116.275 1.165 19036 3182 1 5 . 1 1 81 81 SER HA H 81 4.455 4.455 4.062 0.393 19036 3183 1 5 . 1 1 81 81 SER CA C 81 59.571 59.571 61.571 -2.000 19036 3184 1 5 . 1 1 81 81 SER CB C 81 63.825 63.825 62.935 0.890 19036 3185 1 5 . 1 1 81 81 SER H H 81 8.505 8.505 8.624 -0.119 19036 3186 1 5 . 1 1 82 82 GLU N N 82 122.380 122.380 120.781 1.599 19036 3187 1 5 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.003 0.182 19036 3188 1 5 . 1 1 82 82 GLU CA C 82 58.800 58.800 59.516 -0.716 19036 3189 1 5 . 1 1 82 82 GLU CB C 82 29.660 29.660 29.309 0.351 19036 3190 1 5 . 1 1 82 82 GLU H H 82 8.508 8.508 7.799 0.709 19036 3191 1 5 . 1 1 83 83 GLU N N 83 119.670 119.670 119.662 0.008 19036 3192 1 5 . 1 1 83 83 GLU HA H 83 4.085 4.085 4.109 -0.024 19036 3193 1 5 . 1 1 83 83 GLU CA C 83 59.576 59.576 59.086 0.490 19036 3194 1 5 . 1 1 83 83 GLU CB C 83 29.410 29.410 29.286 0.124 19036 3195 1 5 . 1 1 83 83 GLU H H 83 8.297 8.297 7.975 0.322 19036 3196 1 5 . 1 1 84 84 GLU N N 84 118.700 118.700 119.269 -0.569 19036 3197 1 5 . 1 1 84 84 GLU HA H 84 4.135 4.135 4.169 -0.034 19036 3198 1 5 . 1 1 84 84 GLU CA C 84 59.523 59.523 58.906 0.617 19036 3199 1 5 . 1 1 84 84 GLU CB C 84 29.607 29.607 29.481 0.126 19036 3200 1 5 . 1 1 84 84 GLU H H 84 8.218 8.218 7.916 0.302 19036 3201 1 5 . 1 1 85 85 ILE N N 85 121.500 121.500 120.575 0.925 19036 3202 1 5 . 1 1 85 85 ILE HA H 85 3.981 3.981 3.777 0.204 19036 3203 1 5 . 1 1 85 85 ILE CA C 85 64.941 64.941 65.330 -0.389 19036 3204 1 5 . 1 1 85 85 ILE CB C 85 37.484 37.484 37.748 -0.264 19036 3205 1 5 . 1 1 85 85 ILE H H 85 7.980 7.980 8.583 -0.603 19036 3206 1 5 . 1 1 86 86 ARG N N 86 121.710 121.710 118.547 3.163 19036 3207 1 5 . 1 1 86 86 ARG HA H 86 4.186 4.186 4.394 -0.208 19036 3208 1 5 . 1 1 86 86 ARG CA C 86 60.202 60.202 59.579 0.623 19036 3209 1 5 . 1 1 86 86 ARG CB C 86 30.026 30.026 30.086 -0.060 19036 3210 1 5 . 1 1 86 86 ARG H H 86 8.471 8.471 7.743 0.728 19036 3211 1 5 . 1 1 87 87 GLU N N 87 118.710 118.710 120.793 -2.083 19036 3212 1 5 . 1 1 87 87 GLU HA H 87 4.179 4.179 4.240 -0.061 19036 3213 1 5 . 1 1 87 87 GLU CA C 87 58.995 58.995 58.970 0.025 19036 3214 1 5 . 1 1 87 87 GLU CB C 87 29.201 29.201 29.285 -0.083 19036 3215 1 5 . 1 1 87 87 GLU H H 87 8.211 8.211 7.738 0.473 19036 3216 1 5 . 1 1 88 88 ALA N N 88 121.910 121.910 122.010 -0.100 19036 3217 1 5 . 1 1 88 88 ALA HA H 88 4.180 4.180 4.193 -0.013 19036 3218 1 5 . 1 1 88 88 ALA CA C 88 55.275 55.275 54.988 0.287 19036 3219 1 5 . 1 1 88 88 ALA CB C 88 17.936 17.936 18.229 -0.293 19036 3220 1 5 . 1 1 88 88 ALA H H 88 8.037 8.037 8.264 -0.227 19036 3221 1 5 . 1 1 89 89 PHE N N 89 118.790 118.790 119.722 -0.932 19036 3222 1 5 . 1 1 89 89 PHE HA H 89 3.188 3.188 3.639 -0.451 19036 3223 1 5 . 1 1 89 89 PHE CA C 89 62.283 62.283 61.176 1.107 19036 3224 1 5 . 1 1 89 89 PHE CB C 89 39.238 39.238 38.949 0.289 19036 3225 1 5 . 1 1 89 89 PHE H H 89 8.623 8.623 7.898 0.725 19036 3226 1 5 . 1 1 90 90 ARG N N 90 115.890 115.890 119.435 -3.545 19036 3227 1 5 . 1 1 90 90 ARG HA H 90 3.906 3.906 4.117 -0.211 19036 3228 1 5 . 1 1 90 90 ARG CA C 90 58.950 58.950 59.712 -0.762 19036 3229 1 5 . 1 1 90 90 ARG CB C 90 30.414 30.414 30.180 0.234 19036 3230 1 5 . 1 1 90 90 ARG H H 90 7.775 7.775 8.131 -0.356 19036 3231 1 5 . 1 1 91 91 VAL N N 91 118.320 118.320 117.448 0.872 19036 3232 1 5 . 1 1 91 91 VAL HA H 91 3.515 3.515 3.695 -0.180 19036 3233 1 5 . 1 1 91 91 VAL CA C 91 65.726 65.726 64.995 0.731 19036 3234 1 5 . 1 1 91 91 VAL CB C 91 31.579 31.579 31.723 -0.143 19036 3235 1 5 . 1 1 91 91 VAL H H 91 7.538 7.538 7.258 0.280 19036 3236 1 5 . 1 1 92 92 PHE N N 92 115.750 115.750 116.615 -0.865 19036 3237 1 5 . 1 1 92 92 PHE HA H 92 4.247 4.247 4.161 0.086 19036 3238 1 5 . 1 1 92 92 PHE CA C 92 60.241 60.241 60.596 -0.355 19036 3239 1 5 . 1 1 92 92 PHE CB C 92 40.951 40.951 39.162 1.789 19036 3240 1 5 . 1 1 92 92 PHE H H 92 7.381 7.381 7.664 -0.283 19036 3241 1 5 . 1 1 93 93 ASP N N 93 116.590 116.590 118.579 -1.989 19036 3242 1 5 . 1 1 93 93 ASP HA H 93 4.590 4.590 4.688 -0.098 19036 3243 1 5 . 1 1 93 93 ASP CA C 93 52.466 52.466 52.749 -0.284 19036 3244 1 5 . 1 1 93 93 ASP CB C 93 38.478 38.478 39.489 -1.011 19036 3245 1 5 . 1 1 93 93 ASP H H 93 7.900 7.900 7.785 0.115 19036 3246 1 5 . 1 1 94 94 LYS N N 94 126.160 126.160 122.979 3.181 19036 3247 1 5 . 1 1 94 94 LYS HA H 94 3.945 3.945 4.134 -0.189 19036 3248 1 5 . 1 1 94 94 LYS CA C 94 59.072 59.072 57.714 1.358 19036 3249 1 5 . 1 1 94 94 LYS CB C 94 32.589 32.589 32.427 0.162 19036 3250 1 5 . 1 1 94 94 LYS H H 94 7.790 7.790 7.814 -0.024 19036 3251 1 5 . 1 1 95 95 ASP N N 95 114.060 114.060 119.439 -5.379 19036 3252 1 5 . 1 1 95 95 ASP HA H 95 4.579 4.579 4.533 0.046 19036 3253 1 5 . 1 1 95 95 ASP CA C 95 53.120 53.120 55.828 -2.708 19036 3254 1 5 . 1 1 95 95 ASP CB C 95 40.043 40.043 40.846 -0.803 19036 3255 1 5 . 1 1 95 95 ASP H H 95 8.237 8.237 9.169 -0.932 19036 3256 1 5 . 1 1 96 96 GLY N N 96 109.410 109.410 107.252 2.158 19036 3257 1 5 . 1 1 96 96 GLY CA C 96 47.263 47.263 45.830 1.433 19036 3258 1 5 . 1 1 96 96 GLY H H 96 7.839 7.839 8.156 -0.317 19036 3259 1 5 . 1 1 97 97 ASN N N 97 119.630 119.630 119.989 -0.359 19036 3260 1 5 . 1 1 97 97 ASN HA H 97 4.659 4.659 4.699 -0.040 19036 3261 1 5 . 1 1 97 97 ASN CA C 97 52.681 52.681 52.798 -0.117 19036 3262 1 5 . 1 1 97 97 ASN CB C 97 38.311 38.311 38.449 -0.138 19036 3263 1 5 . 1 1 97 97 ASN H H 97 8.377 8.377 8.233 0.144 19036 3264 1 5 . 1 1 98 98 GLY N N 98 112.970 112.970 107.764 5.206 19036 3265 1 5 . 1 1 98 98 GLY CA C 98 45.183 45.183 45.377 -0.194 19036 3266 1 5 . 1 1 98 98 GLY H H 98 10.687 10.687 8.544 2.143 19036 3267 1 5 . 1 1 99 99 TYR N N 99 116.080 116.080 117.266 -1.186 19036 3268 1 5 . 1 1 99 99 TYR HA H 99 5.065 5.065 5.198 -0.133 19036 3269 1 5 . 1 1 99 99 TYR CA C 99 56.198 56.198 56.602 -0.404 19036 3270 1 5 . 1 1 99 99 TYR CB C 99 43.110 43.110 41.903 1.207 19036 3271 1 5 . 1 1 99 99 TYR H H 99 7.671 7.671 8.397 -0.726 19036 3272 1 5 . 1 1 100 100 ILE N N 100 127.320 127.320 123.815 3.505 19036 3273 1 5 . 1 1 100 100 ILE HA H 100 4.780 4.780 4.638 0.142 19036 3274 1 5 . 1 1 100 100 ILE CA C 100 60.731 60.731 60.217 0.514 19036 3275 1 5 . 1 1 100 100 ILE CB C 100 39.050 39.050 39.027 0.023 19036 3276 1 5 . 1 1 100 100 ILE H H 100 10.163 10.163 8.493 1.670 19036 3277 1 5 . 1 1 101 101 SER N N 101 123.810 123.810 123.642 0.168 19036 3278 1 5 . 1 1 101 101 SER HA H 101 4.898 4.898 4.858 0.040 19036 3279 1 5 . 1 1 101 101 SER CA C 101 55.840 55.840 56.107 -0.267 19036 3280 1 5 . 1 1 101 101 SER CB C 101 66.799 66.799 66.061 0.738 19036 3281 1 5 . 1 1 101 101 SER H H 101 8.970 8.970 9.424 -0.454 19036 3282 1 5 . 1 1 102 102 ALA N N 102 123.130 123.130 124.041 -0.911 19036 3283 1 5 . 1 1 102 102 ALA HA H 102 3.927 3.927 4.126 -0.199 19036 3284 1 5 . 1 1 102 102 ALA CA C 102 56.023 56.023 55.164 0.858 19036 3285 1 5 . 1 1 102 102 ALA CB C 102 18.139 18.139 18.353 -0.214 19036 3286 1 5 . 1 1 102 102 ALA H H 102 9.269 9.269 8.845 0.424 19036 3287 1 5 . 1 1 103 103 ALA N N 103 118.460 118.460 120.512 -2.052 19036 3288 1 5 . 1 1 103 103 ALA HA H 103 4.058 4.058 4.129 -0.071 19036 3289 1 5 . 1 1 103 103 ALA CA C 103 55.250 55.250 54.641 0.610 19036 3290 1 5 . 1 1 103 103 ALA CB C 103 18.492 18.492 18.189 0.303 19036 3291 1 5 . 1 1 103 103 ALA H H 103 8.294 8.294 8.348 -0.054 19036 3292 1 5 . 1 1 104 104 GLU N N 104 120.070 120.070 119.293 0.777 19036 3293 1 5 . 1 1 104 104 GLU HA H 104 4.073 4.073 4.019 0.054 19036 3294 1 5 . 1 1 104 104 GLU CA C 104 59.567 59.567 59.258 0.309 19036 3295 1 5 . 1 1 104 104 GLU CB C 104 29.262 29.262 29.566 -0.304 19036 3296 1 5 . 1 1 104 104 GLU H H 104 7.939 7.939 7.619 0.320 19036 3297 1 5 . 1 1 105 105 LEU N N 105 120.990 120.990 120.257 0.733 19036 3298 1 5 . 1 1 105 105 LEU HA H 105 4.133 4.133 4.112 0.021 19036 3299 1 5 . 1 1 105 105 LEU CA C 105 58.618 58.618 57.893 0.725 19036 3300 1 5 . 1 1 105 105 LEU CB C 105 42.210 42.210 42.033 0.177 19036 3301 1 5 . 1 1 105 105 LEU H H 105 8.534 8.534 7.562 0.972 19036 3302 1 5 . 1 1 106 106 ARG N N 106 117.580 117.580 118.110 -0.530 19036 3303 1 5 . 1 1 106 106 ARG HA H 106 3.832 3.832 3.986 -0.154 19036 3304 1 5 . 1 1 106 106 ARG CA C 106 60.041 60.041 59.579 0.462 19036 3305 1 5 . 1 1 106 106 ARG CB C 106 30.648 30.648 29.999 0.649 19036 3306 1 5 . 1 1 106 106 ARG H H 106 8.667 8.667 7.488 1.179 19036 3307 1 5 . 1 1 107 107 HIS N N 107 118.880 118.880 119.592 -0.712 19036 3308 1 5 . 1 1 107 107 HIS HA H 107 4.338 4.338 4.320 0.018 19036 3309 1 5 . 1 1 107 107 HIS CA C 107 59.771 59.771 58.886 0.885 19036 3310 1 5 . 1 1 107 107 HIS CB C 107 30.491 30.491 29.628 0.862 19036 3311 1 5 . 1 1 107 107 HIS H H 107 8.071 8.071 7.616 0.455 19036 3312 1 5 . 1 1 108 108 VAL N N 108 119.170 119.170 118.671 0.499 19036 3313 1 5 . 1 1 108 108 VAL HA H 108 3.556 3.556 3.451 0.105 19036 3314 1 5 . 1 1 108 108 VAL CA C 108 66.580 66.580 66.543 0.036 19036 3315 1 5 . 1 1 108 108 VAL CB C 108 31.920 31.920 31.567 0.353 19036 3316 1 5 . 1 1 108 108 VAL H H 108 8.107 8.107 7.557 0.550 19036 3317 1 5 . 1 1 109 109 MET N N 109 116.290 116.290 114.928 1.362 19036 3318 1 5 . 1 1 109 109 MET HA H 109 4.326 4.326 4.246 0.080 19036 3319 1 5 . 1 1 109 109 MET CA C 109 57.824 57.824 58.315 -0.491 19036 3320 1 5 . 1 1 109 109 MET CB C 109 31.052 31.052 31.224 -0.172 19036 3321 1 5 . 1 1 109 109 MET H H 109 8.280 8.280 7.692 0.588 19036 3322 1 5 . 1 1 110 110 THR N N 110 115.190 115.190 117.742 -2.552 19036 3323 1 5 . 1 1 110 110 THR HA H 110 4.166 4.166 4.277 -0.111 19036 3324 1 5 . 1 1 110 110 THR CA C 110 66.182 66.182 66.736 -0.554 19036 3325 1 5 . 1 1 110 110 THR CB C 110 68.951 68.951 68.452 0.499 19036 3326 1 5 . 1 1 110 110 THR H H 110 8.244 8.244 7.469 0.775 19036 3327 1 5 . 1 1 111 111 ASN N N 111 122.310 122.310 120.154 2.156 19036 3328 1 5 . 1 1 111 111 ASN HA H 111 4.502 4.502 4.515 -0.013 19036 3329 1 5 . 1 1 111 111 ASN CA C 111 55.931 55.931 55.761 0.170 19036 3330 1 5 . 1 1 111 111 ASN CB C 111 38.585 38.585 37.830 0.755 19036 3331 1 5 . 1 1 111 111 ASN H H 111 7.904 7.904 7.809 0.095 19036 3332 1 5 . 1 1 112 112 LEU N N 112 118.850 118.850 118.634 0.216 19036 3333 1 5 . 1 1 112 112 LEU HA H 112 4.354 4.354 4.566 -0.212 19036 3334 1 5 . 1 1 112 112 LEU CA C 112 55.274 55.274 54.734 0.540 19036 3335 1 5 . 1 1 112 112 LEU CB C 112 42.218 42.218 41.133 1.085 19036 3336 1 5 . 1 1 112 112 LEU H H 112 7.873 7.873 7.370 0.503 19036 3337 1 5 . 1 1 113 113 GLY N N 113 106.700 106.700 107.551 -0.851 19036 3338 1 5 . 1 1 113 113 GLY CA C 113 45.596 45.596 45.324 0.272 19036 3339 1 5 . 1 1 113 113 GLY H H 113 7.844 7.844 7.692 0.152 19036 3340 1 5 . 1 1 114 114 GLU N N 114 120.140 120.140 121.340 -1.200 19036 3341 1 5 . 1 1 114 114 GLU HA H 114 4.459 4.459 4.523 -0.064 19036 3342 1 5 . 1 1 114 114 GLU CA C 114 55.046 55.046 55.393 -0.347 19036 3343 1 5 . 1 1 114 114 GLU CB C 114 30.469 30.469 31.071 -0.602 19036 3344 1 5 . 1 1 114 114 GLU H H 114 7.946 7.946 7.864 0.082 19036 3345 1 5 . 1 1 115 115 LYS N N 115 124.130 124.130 124.015 0.115 19036 3346 1 5 . 1 1 115 115 LYS HA H 115 4.394 4.394 4.597 -0.203 19036 3347 1 5 . 1 1 115 115 LYS CA C 115 55.794 55.794 55.156 0.638 19036 3348 1 5 . 1 1 115 115 LYS CB C 115 32.191 32.191 32.873 -0.682 19036 3349 1 5 . 1 1 115 115 LYS H H 115 8.646 8.646 8.522 0.124 19036 3350 1 5 . 1 1 116 116 LEU N N 116 124.840 124.840 125.190 -0.350 19036 3351 1 5 . 1 1 116 116 LEU HA H 116 4.793 4.793 4.777 0.016 19036 3352 1 5 . 1 1 116 116 LEU CA C 116 54.127 54.127 53.347 0.780 19036 3353 1 5 . 1 1 116 116 LEU CB C 116 44.934 44.934 43.891 1.043 19036 3354 1 5 . 1 1 116 116 LEU H H 116 8.097 8.097 8.339 -0.242 19036 3355 1 5 . 1 1 117 117 THR N N 117 114.690 114.690 110.909 3.781 19036 3356 1 5 . 1 1 117 117 THR HA H 117 4.492 4.492 4.619 -0.127 19036 3357 1 5 . 1 1 117 117 THR CA C 117 60.751 60.751 60.320 0.431 19036 3358 1 5 . 1 1 117 117 THR CB C 117 71.303 71.303 70.894 0.409 19036 3359 1 5 . 1 1 117 117 THR H H 117 9.252 9.252 7.919 1.333 19036 3360 1 5 . 1 1 118 118 ASP N N 118 121.130 121.130 122.687 -1.557 19036 3361 1 5 . 1 1 118 118 ASP HA H 118 4.232 4.232 4.384 -0.152 19036 3362 1 5 . 1 1 118 118 ASP CA C 118 58.080 58.080 57.325 0.755 19036 3363 1 5 . 1 1 118 118 ASP CB C 118 39.870 39.870 40.598 -0.728 19036 3364 1 5 . 1 1 118 118 ASP H H 118 8.936 8.936 8.785 0.151 19036 3365 1 5 . 1 1 119 119 GLU N N 119 119.110 119.110 119.710 -0.600 19036 3366 1 5 . 1 1 119 119 GLU HA H 119 4.117 4.117 4.006 0.111 19036 3367 1 5 . 1 1 119 119 GLU CA C 119 60.043 60.043 59.656 0.387 19036 3368 1 5 . 1 1 119 119 GLU CB C 119 29.135 29.135 29.563 -0.428 19036 3369 1 5 . 1 1 119 119 GLU H H 119 8.715 8.715 8.685 0.030 19036 3370 1 5 . 1 1 120 120 GLU N N 120 120.680 120.680 118.928 1.752 19036 3371 1 5 . 1 1 120 120 GLU HA H 120 4.062 4.062 4.104 -0.042 19036 3372 1 5 . 1 1 120 120 GLU CA C 120 59.138 59.138 59.140 -0.002 19036 3373 1 5 . 1 1 120 120 GLU CB C 120 30.420 30.420 29.549 0.871 19036 3374 1 5 . 1 1 120 120 GLU H H 120 7.809 7.809 7.565 0.244 19036 3375 1 5 . 1 1 121 121 VAL N N 121 120.660 120.660 119.509 1.151 19036 3376 1 5 . 1 1 121 121 VAL HA H 121 3.637 3.637 3.795 -0.158 19036 3377 1 5 . 1 1 121 121 VAL CA C 121 67.003 67.003 66.510 0.493 19036 3378 1 5 . 1 1 121 121 VAL CB C 121 31.463 31.463 31.374 0.089 19036 3379 1 5 . 1 1 121 121 VAL H H 121 8.079 8.079 7.775 0.304 19036 3380 1 5 . 1 1 122 122 ASP N N 122 119.590 119.590 120.621 -1.031 19036 3381 1 5 . 1 1 122 122 ASP HA H 122 4.349 4.349 4.333 0.016 19036 3382 1 5 . 1 1 122 122 ASP CA C 122 57.718 57.718 57.752 -0.034 19036 3383 1 5 . 1 1 122 122 ASP CB C 122 40.593 40.593 40.799 -0.206 19036 3384 1 5 . 1 1 122 122 ASP H H 122 8.124 8.124 8.633 -0.509 19036 3385 1 5 . 1 1 123 123 GLU N N 123 119.760 119.760 119.409 0.351 19036 3386 1 5 . 1 1 123 123 GLU HA H 123 4.051 4.051 4.010 0.041 19036 3387 1 5 . 1 1 123 123 GLU CA C 123 59.144 59.144 59.112 0.032 19036 3388 1 5 . 1 1 123 123 GLU CB C 123 29.161 29.161 29.632 -0.471 19036 3389 1 5 . 1 1 123 123 GLU H H 123 8.034 8.034 8.220 -0.186 19036 3390 1 5 . 1 1 124 124 MET N N 124 119.580 119.580 118.893 0.687 19036 3391 1 5 . 1 1 124 124 MET HA H 124 4.024 4.024 4.114 -0.090 19036 3392 1 5 . 1 1 124 124 MET CA C 124 59.353 59.353 59.496 -0.143 19036 3393 1 5 . 1 1 124 124 MET CB C 124 33.497 33.497 32.828 0.669 19036 3394 1 5 . 1 1 124 124 MET H H 124 7.871 7.871 7.494 0.377 19036 3395 1 5 . 1 1 125 125 ILE N N 125 118.210 118.210 119.200 -0.990 19036 3396 1 5 . 1 1 125 125 ILE HA H 125 3.524 3.524 3.634 -0.110 19036 3397 1 5 . 1 1 125 125 ILE CA C 125 63.855 63.855 65.054 -1.199 19036 3398 1 5 . 1 1 125 125 ILE CB C 125 36.457 36.457 37.184 -0.727 19036 3399 1 5 . 1 1 125 125 ILE H H 125 7.953 7.953 7.736 0.217 19036 3400 1 5 . 1 1 126 126 ARG N N 126 118.420 118.420 120.087 -1.667 19036 3401 1 5 . 1 1 126 126 ARG HA H 126 4.038 4.038 3.979 0.059 19036 3402 1 5 . 1 1 126 126 ARG CA C 126 59.809 59.809 59.472 0.337 19036 3403 1 5 . 1 1 126 126 ARG CB C 126 30.311 30.311 30.131 0.180 19036 3404 1 5 . 1 1 126 126 ARG H H 126 8.228 8.228 7.631 0.597 19036 3405 1 5 . 1 1 127 127 GLU N N 127 115.830 115.830 118.365 -2.535 19036 3406 1 5 . 1 1 127 127 GLU HA H 127 4.026 4.026 4.139 -0.113 19036 3407 1 5 . 1 1 127 127 GLU CA C 127 58.489 58.489 58.764 -0.275 19036 3408 1 5 . 1 1 127 127 GLU CB C 127 29.435 29.435 29.798 -0.363 19036 3409 1 5 . 1 1 127 127 GLU H H 127 7.950 7.950 7.759 0.191 19036 3410 1 5 . 1 1 128 128 ALA N N 128 119.010 119.010 119.284 -0.274 19036 3411 1 5 . 1 1 128 128 ALA HA H 128 4.444 4.444 4.318 0.126 19036 3412 1 5 . 1 1 128 128 ALA CA C 128 52.125 52.125 52.268 -0.143 19036 3413 1 5 . 1 1 128 128 ALA CB C 128 21.322 21.322 19.630 1.692 19036 3414 1 5 . 1 1 128 128 ALA H H 128 7.386 7.386 7.602 -0.216 19036 3415 1 5 . 1 1 129 129 ASP N N 129 117.790 117.790 118.932 -1.142 19036 3416 1 5 . 1 1 129 129 ASP HA H 129 4.516 4.516 4.879 -0.363 19036 3417 1 5 . 1 1 129 129 ASP CA C 129 54.190 54.190 53.773 0.416 19036 3418 1 5 . 1 1 129 129 ASP CB C 129 40.587 40.587 39.841 0.746 19036 3419 1 5 . 1 1 129 129 ASP H H 129 7.913 7.913 7.639 0.274 19036 3420 1 5 . 1 1 130 130 ILE N N 130 127.770 127.770 125.863 1.907 19036 3421 1 5 . 1 1 130 130 ILE HA H 130 3.938 3.938 4.052 -0.114 19036 3422 1 5 . 1 1 130 130 ILE CA C 130 63.431 63.431 62.913 0.518 19036 3423 1 5 . 1 1 130 130 ILE CB C 130 38.748 38.748 38.301 0.447 19036 3424 1 5 . 1 1 130 130 ILE H H 130 8.332 8.332 8.463 -0.131 19036 3425 1 5 . 1 1 131 131 ASP N N 131 116.680 116.680 119.743 -3.063 19036 3426 1 5 . 1 1 131 131 ASP HA H 131 4.493 4.493 4.589 -0.096 19036 3427 1 5 . 1 1 131 131 ASP CA C 131 53.734 53.734 54.433 -0.699 19036 3428 1 5 . 1 1 131 131 ASP CB C 131 40.062 40.062 40.967 -0.905 19036 3429 1 5 . 1 1 131 131 ASP H H 131 8.371 8.371 9.006 -0.635 19036 3430 1 5 . 1 1 132 132 GLY N N 132 108.680 108.680 108.978 -0.298 19036 3431 1 5 . 1 1 132 132 GLY CA C 132 47.587 47.587 45.371 2.216 19036 3432 1 5 . 1 1 132 132 GLY H H 132 7.636 7.636 8.096 -0.460 19036 3433 1 5 . 1 1 133 133 ASP N N 133 120.930 120.930 120.678 0.252 19036 3434 1 5 . 1 1 133 133 ASP HA H 133 4.530 4.530 4.539 -0.009 19036 3435 1 5 . 1 1 133 133 ASP CA C 133 53.845 53.845 53.543 0.302 19036 3436 1 5 . 1 1 133 133 ASP CB C 133 40.322 40.322 40.821 -0.499 19036 3437 1 5 . 1 1 133 133 ASP H H 133 8.378 8.378 8.723 -0.345 19036 3438 1 5 . 1 1 134 134 GLY N N 134 112.990 112.990 108.122 4.868 19036 3439 1 5 . 1 1 134 134 GLY CA C 134 45.855 45.855 45.413 0.442 19036 3440 1 5 . 1 1 134 134 GLY H H 134 10.401 10.401 7.955 2.446 19036 3441 1 5 . 1 1 135 135 GLN N N 135 115.490 115.490 117.717 -2.227 19036 3442 1 5 . 1 1 135 135 GLN HA H 135 4.887 4.887 4.697 0.190 19036 3443 1 5 . 1 1 135 135 GLN CA C 135 53.289 53.289 54.100 -0.811 19036 3444 1 5 . 1 1 135 135 GLN CB C 135 32.515 32.515 32.776 -0.261 19036 3445 1 5 . 1 1 135 135 GLN H H 135 8.007 8.007 8.551 -0.544 19036 3446 1 5 . 1 1 136 136 VAL N N 136 125.480 125.480 121.608 3.872 19036 3447 1 5 . 1 1 136 136 VAL HA H 136 5.213 5.213 4.678 0.535 19036 3448 1 5 . 1 1 136 136 VAL CA C 136 61.784 61.784 61.748 0.035 19036 3449 1 5 . 1 1 136 136 VAL CB C 136 33.839 33.839 32.593 1.246 19036 3450 1 5 . 1 1 136 136 VAL H H 136 9.167 9.167 8.089 1.078 19036 3451 1 5 . 1 1 137 137 ASN N N 137 129.140 129.140 124.810 4.330 19036 3452 1 5 . 1 1 137 137 ASN HA H 137 5.288 5.288 5.252 0.036 19036 3453 1 5 . 1 1 137 137 ASN CA C 137 51.176 51.176 50.833 0.343 19036 3454 1 5 . 1 1 137 137 ASN CB C 137 38.446 38.446 40.338 -1.892 19036 3455 1 5 . 1 1 137 137 ASN H H 137 9.576 9.576 7.978 1.598 19036 3456 1 5 . 1 1 138 138 TYR N N 138 118.600 118.600 120.936 -2.336 19036 3457 1 5 . 1 1 138 138 TYR HA H 138 3.456 3.456 4.191 -0.735 19036 3458 1 5 . 1 1 138 138 TYR CA C 138 62.842 62.842 63.678 -0.836 19036 3459 1 5 . 1 1 138 138 TYR CB C 138 37.805 37.805 37.980 -0.175 19036 3460 1 5 . 1 1 138 138 TYR H H 138 8.464 8.464 8.891 -0.427 19036 3461 1 5 . 1 1 139 139 GLU N N 139 118.470 118.470 119.335 -0.865 19036 3462 1 5 . 1 1 139 139 GLU HA H 139 3.686 3.686 4.017 -0.331 19036 3463 1 5 . 1 1 139 139 GLU CA C 139 60.456 60.456 60.155 0.301 19036 3464 1 5 . 1 1 139 139 GLU CB C 139 29.008 29.008 28.768 0.240 19036 3465 1 5 . 1 1 139 139 GLU H H 139 8.152 8.152 8.791 -0.639 19036 3466 1 5 . 1 1 140 140 GLU N N 140 119.970 119.970 120.041 -0.071 19036 3467 1 5 . 1 1 140 140 GLU HA H 140 4.025 4.025 4.105 -0.080 19036 3468 1 5 . 1 1 140 140 GLU CA C 140 58.655 58.655 59.227 -0.572 19036 3469 1 5 . 1 1 140 140 GLU CB C 140 29.868 29.868 29.523 0.346 19036 3470 1 5 . 1 1 140 140 GLU H H 140 8.815 8.815 8.183 0.632 19036 3471 1 5 . 1 1 141 141 PHE N N 141 124.860 124.860 121.904 2.956 19036 3472 1 5 . 1 1 141 141 PHE HA H 141 4.000 4.000 4.211 -0.211 19036 3473 1 5 . 1 1 141 141 PHE CA C 141 61.733 61.733 61.448 0.285 19036 3474 1 5 . 1 1 141 141 PHE CB C 141 40.089 40.089 39.337 0.752 19036 3475 1 5 . 1 1 141 141 PHE H H 141 8.927 8.927 8.855 0.072 19036 3476 1 5 . 1 1 142 142 VAL N N 142 119.400 119.400 118.555 0.845 19036 3477 1 5 . 1 1 142 142 VAL HA H 142 3.152 3.152 3.472 -0.320 19036 3478 1 5 . 1 1 142 142 VAL CA C 142 67.139 67.139 66.979 0.160 19036 3479 1 5 . 1 1 142 142 VAL CB C 142 31.622 31.622 31.513 0.109 19036 3480 1 5 . 1 1 142 142 VAL H H 142 8.635 8.635 8.801 -0.166 19036 3481 1 5 . 1 1 143 143 GLN N N 143 118.420 118.420 118.235 0.185 19036 3482 1 5 . 1 1 143 143 GLN HA H 143 3.902 3.902 4.055 -0.153 19036 3483 1 5 . 1 1 143 143 GLN CA C 143 58.894 58.894 58.411 0.483 19036 3484 1 5 . 1 1 143 143 GLN CB C 143 28.186 28.186 28.260 -0.074 19036 3485 1 5 . 1 1 143 143 GLN H H 143 7.516 7.516 7.979 -0.463 19036 3486 1 5 . 1 1 144 144 MET N N 144 119.410 119.410 118.496 0.914 19036 3487 1 5 . 1 1 144 144 MET HA H 144 4.113 4.113 4.128 -0.015 19036 3488 1 5 . 1 1 144 144 MET CA C 144 58.360 58.360 58.441 -0.081 19036 3489 1 5 . 1 1 144 144 MET CB C 144 33.188 33.188 32.879 0.309 19036 3490 1 5 . 1 1 144 144 MET H H 144 7.867 7.867 8.390 -0.523 19036 3491 1 5 . 1 1 145 145 MET N N 145 114.770 114.770 112.815 1.955 19036 3492 1 5 . 1 1 145 145 MET HA H 145 4.263 4.263 4.458 -0.195 19036 3493 1 5 . 1 1 145 145 MET CA C 145 55.607 55.607 54.477 1.130 19036 3494 1 5 . 1 1 145 145 MET CB C 145 32.224 32.224 32.111 0.113 19036 3495 1 5 . 1 1 145 145 MET H H 145 7.796 7.796 7.443 0.353 19036 3496 1 5 . 1 1 146 146 THR N N 146 111.500 111.500 116.549 -5.049 19036 3497 1 5 . 1 1 146 146 THR HA H 146 4.325 4.325 4.388 -0.063 19036 3498 1 5 . 1 1 146 146 THR CA C 146 62.420 62.420 61.799 0.621 19036 3499 1 5 . 1 1 146 146 THR CB C 146 70.327 70.327 67.133 3.194 19036 3500 1 5 . 1 1 146 146 THR H H 146 7.591 7.591 7.284 0.307 19036 3501 1 5 . 1 1 147 147 ALA N N 147 127.110 127.110 124.703 2.407 19036 3502 1 5 . 1 1 147 147 ALA HA H 147 4.319 4.319 4.599 -0.280 19036 3503 1 5 . 1 1 147 147 ALA CA C 147 52.991 52.991 51.208 1.783 19036 3504 1 5 . 1 1 147 147 ALA CB C 147 19.162 19.162 20.385 -1.223 19036 3505 1 5 . 1 1 147 147 ALA H H 147 7.827 7.827 7.428 0.399 19036 3506 1 6 . 1 1 2 2 ASP HA H 2 4.654 4.654 4.568 0.086 19036 3507 1 6 . 1 1 2 2 ASP CA C 2 54.799 54.799 53.965 0.834 19036 3508 1 6 . 1 1 2 2 ASP CB C 2 41.496 41.496 41.105 0.391 19036 3509 1 6 . 1 1 3 3 GLN N N 3 119.900 119.900 118.423 1.477 19036 3510 1 6 . 1 1 3 3 GLN HA H 3 4.399 4.399 4.105 0.294 19036 3511 1 6 . 1 1 3 3 GLN CA C 3 55.646 55.646 56.940 -1.294 19036 3512 1 6 . 1 1 3 3 GLN CB C 3 29.996 29.996 28.817 1.179 19036 3513 1 6 . 1 1 3 3 GLN H H 3 8.385 8.385 7.896 0.489 19036 3514 1 6 . 1 1 4 4 LEU N N 4 123.270 123.270 121.357 1.913 19036 3515 1 6 . 1 1 4 4 LEU HA H 4 4.681 4.681 4.355 0.326 19036 3516 1 6 . 1 1 4 4 LEU CA C 4 54.516 54.516 55.198 -0.682 19036 3517 1 6 . 1 1 4 4 LEU CB C 4 43.666 43.666 42.890 0.776 19036 3518 1 6 . 1 1 4 4 LEU H H 4 8.351 8.351 7.831 0.520 19036 3519 1 6 . 1 1 5 5 THR N N 5 113.150 113.150 111.872 1.278 19036 3520 1 6 . 1 1 5 5 THR HA H 5 4.479 4.479 4.502 -0.023 19036 3521 1 6 . 1 1 5 5 THR CA C 5 60.553 60.553 59.462 1.091 19036 3522 1 6 . 1 1 5 5 THR CB C 5 71.232 71.232 71.515 -0.283 19036 3523 1 6 . 1 1 5 5 THR H H 5 8.764 8.764 7.912 0.852 19036 3524 1 6 . 1 1 6 6 GLU N N 6 120.490 120.490 123.116 -2.626 19036 3525 1 6 . 1 1 6 6 GLU HA H 6 3.994 3.994 4.000 -0.006 19036 3526 1 6 . 1 1 6 6 GLU CA C 6 60.091 60.091 59.395 0.696 19036 3527 1 6 . 1 1 6 6 GLU CB C 6 29.307 29.307 28.651 0.656 19036 3528 1 6 . 1 1 6 6 GLU H H 6 9.066 9.066 8.996 0.070 19036 3529 1 6 . 1 1 7 7 GLU N N 7 119.640 119.640 119.130 0.510 19036 3530 1 6 . 1 1 7 7 GLU HA H 7 4.081 4.081 4.067 0.014 19036 3531 1 6 . 1 1 7 7 GLU CA C 7 60.055 60.055 58.844 1.211 19036 3532 1 6 . 1 1 7 7 GLU CB C 7 29.194 29.194 29.207 -0.013 19036 3533 1 6 . 1 1 7 7 GLU H H 7 8.769 8.769 8.584 0.185 19036 3534 1 6 . 1 1 8 8 GLN N N 8 120.420 120.420 118.240 2.180 19036 3535 1 6 . 1 1 8 8 GLN HA H 8 3.857 3.857 4.022 -0.165 19036 3536 1 6 . 1 1 8 8 GLN CA C 8 58.691 58.691 58.222 0.469 19036 3537 1 6 . 1 1 8 8 GLN CB C 8 29.295 29.295 28.502 0.793 19036 3538 1 6 . 1 1 8 8 GLN H H 8 7.779 7.779 7.462 0.317 19036 3539 1 6 . 1 1 9 9 ILE N N 9 119.530 119.530 119.589 -0.059 19036 3540 1 6 . 1 1 9 9 ILE HA H 9 3.699 3.699 3.625 0.074 19036 3541 1 6 . 1 1 9 9 ILE CA C 9 66.284 66.284 64.889 1.395 19036 3542 1 6 . 1 1 9 9 ILE CB C 9 37.882 37.882 37.564 0.318 19036 3543 1 6 . 1 1 9 9 ILE H H 9 8.391 8.391 7.376 1.015 19036 3544 1 6 . 1 1 10 10 ALA N N 10 121.270 121.270 121.725 -0.455 19036 3545 1 6 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.924 0.216 19036 3546 1 6 . 1 1 10 10 ALA CA C 10 55.569 55.569 55.302 0.267 19036 3547 1 6 . 1 1 10 10 ALA CB C 10 17.977 17.977 17.786 0.191 19036 3548 1 6 . 1 1 10 10 ALA H H 10 8.040 8.040 7.558 0.482 19036 3549 1 6 . 1 1 11 11 GLU N N 11 119.830 119.830 119.349 0.481 19036 3550 1 6 . 1 1 11 11 GLU HA H 11 4.159 4.159 4.024 0.135 19036 3551 1 6 . 1 1 11 11 GLU CA C 11 59.438 59.438 59.139 0.299 19036 3552 1 6 . 1 1 11 11 GLU CB C 11 29.098 29.098 29.465 -0.367 19036 3553 1 6 . 1 1 11 11 GLU H H 11 7.841 7.841 7.497 0.344 19036 3554 1 6 . 1 1 12 12 PHE N N 12 120.250 120.250 117.035 3.215 19036 3555 1 6 . 1 1 12 12 PHE HA H 12 5.033 5.033 4.780 0.253 19036 3556 1 6 . 1 1 12 12 PHE CA C 12 59.113 59.113 57.109 2.004 19036 3557 1 6 . 1 1 12 12 PHE CB C 12 37.727 37.727 38.504 -0.777 19036 3558 1 6 . 1 1 12 12 PHE H H 12 8.641 8.641 7.385 1.256 19036 3559 1 6 . 1 1 13 13 LYS N N 13 123.680 123.680 121.835 1.845 19036 3560 1 6 . 1 1 13 13 LYS HA H 13 4.038 4.038 4.089 -0.051 19036 3561 1 6 . 1 1 13 13 LYS CA C 13 60.228 60.228 60.495 -0.267 19036 3562 1 6 . 1 1 13 13 LYS CB C 13 32.020 32.020 32.249 -0.229 19036 3563 1 6 . 1 1 13 13 LYS H H 13 9.273 9.273 8.527 0.746 19036 3564 1 6 . 1 1 14 14 GLU N N 14 120.480 120.480 119.222 1.258 19036 3565 1 6 . 1 1 14 14 GLU HA H 14 4.150 4.150 4.096 0.054 19036 3566 1 6 . 1 1 14 14 GLU CA C 14 59.283 59.283 59.142 0.140 19036 3567 1 6 . 1 1 14 14 GLU CB C 14 29.163 29.163 29.320 -0.157 19036 3568 1 6 . 1 1 14 14 GLU H H 14 7.873 7.873 7.752 0.121 19036 3569 1 6 . 1 1 15 15 ALA N N 15 122.590 122.590 121.797 0.793 19036 3570 1 6 . 1 1 15 15 ALA HA H 15 4.285 4.285 4.147 0.138 19036 3571 1 6 . 1 1 15 15 ALA CA C 15 55.370 55.370 55.023 0.347 19036 3572 1 6 . 1 1 15 15 ALA CB C 15 18.190 18.190 18.630 -0.440 19036 3573 1 6 . 1 1 15 15 ALA H H 15 8.045 8.045 7.558 0.487 19036 3574 1 6 . 1 1 16 16 PHE N N 16 119.110 119.110 119.269 -0.159 19036 3575 1 6 . 1 1 16 16 PHE HA H 16 3.314 3.314 3.943 -0.629 19036 3576 1 6 . 1 1 16 16 PHE CA C 16 62.091 62.091 60.466 1.625 19036 3577 1 6 . 1 1 16 16 PHE CB C 16 39.813 39.813 39.307 0.506 19036 3578 1 6 . 1 1 16 16 PHE H H 16 8.804 8.804 8.461 0.343 19036 3579 1 6 . 1 1 17 17 SER N N 17 113.200 113.200 114.008 -0.808 19036 3580 1 6 . 1 1 17 17 SER HA H 17 4.139 4.139 3.972 0.167 19036 3581 1 6 . 1 1 17 17 SER CA C 17 61.542 61.542 60.780 0.762 19036 3582 1 6 . 1 1 17 17 SER CB C 17 63.424 63.424 63.204 0.220 19036 3583 1 6 . 1 1 17 17 SER H H 17 8.083 8.083 8.019 0.064 19036 3584 1 6 . 1 1 18 18 LEU N N 18 120.840 120.840 121.140 -0.300 19036 3585 1 6 . 1 1 18 18 LEU HA H 18 3.981 3.981 3.980 0.001 19036 3586 1 6 . 1 1 18 18 LEU CA C 18 57.258 57.258 57.222 0.036 19036 3587 1 6 . 1 1 18 18 LEU CB C 18 41.565 41.565 42.054 -0.489 19036 3588 1 6 . 1 1 18 18 LEU H H 18 7.436 7.436 7.307 0.129 19036 3589 1 6 . 1 1 19 19 PHE N N 19 114.020 114.020 114.156 -0.136 19036 3590 1 6 . 1 1 19 19 PHE HA H 19 4.237 4.237 4.164 0.073 19036 3591 1 6 . 1 1 19 19 PHE CA C 19 59.258 59.258 59.946 -0.688 19036 3592 1 6 . 1 1 19 19 PHE CB C 19 41.732 41.732 39.155 2.577 19036 3593 1 6 . 1 1 19 19 PHE H H 19 7.180 7.180 7.318 -0.138 19036 3594 1 6 . 1 1 20 20 ASP N N 20 117.440 117.440 118.574 -1.134 19036 3595 1 6 . 1 1 20 20 ASP HA H 20 4.579 4.579 4.675 -0.096 19036 3596 1 6 . 1 1 20 20 ASP CA C 20 52.295 52.295 52.500 -0.205 19036 3597 1 6 . 1 1 20 20 ASP CB C 20 39.167 39.167 39.154 0.013 19036 3598 1 6 . 1 1 20 20 ASP H H 20 7.844 7.844 7.484 0.360 19036 3599 1 6 . 1 1 21 21 LYS N N 21 124.410 124.410 124.028 0.382 19036 3600 1 6 . 1 1 21 21 LYS HA H 21 3.990 3.990 4.001 -0.011 19036 3601 1 6 . 1 1 21 21 LYS CA C 21 58.379 58.379 58.388 -0.009 19036 3602 1 6 . 1 1 21 21 LYS CB C 21 32.623 32.623 32.383 0.240 19036 3603 1 6 . 1 1 21 21 LYS H H 21 7.728 7.728 7.848 -0.120 19036 3604 1 6 . 1 1 22 22 ASP N N 22 114.060 114.060 117.774 -3.714 19036 3605 1 6 . 1 1 22 22 ASP HA H 22 4.625 4.625 4.470 0.155 19036 3606 1 6 . 1 1 22 22 ASP CA C 22 52.921 52.921 55.856 -2.935 19036 3607 1 6 . 1 1 22 22 ASP CB C 22 39.728 39.728 40.937 -1.209 19036 3608 1 6 . 1 1 22 22 ASP H H 22 8.095 8.095 8.753 -0.658 19036 3609 1 6 . 1 1 23 23 GLY N N 23 109.390 109.390 107.636 1.754 19036 3610 1 6 . 1 1 23 23 GLY CA C 23 47.250 47.250 45.807 1.443 19036 3611 1 6 . 1 1 23 23 GLY H H 23 7.717 7.717 7.938 -0.221 19036 3612 1 6 . 1 1 24 24 ASP N N 24 120.860 120.860 121.076 -0.216 19036 3613 1 6 . 1 1 24 24 ASP HA H 24 4.564 4.564 4.605 -0.041 19036 3614 1 6 . 1 1 24 24 ASP CA C 24 53.918 53.918 53.012 0.906 19036 3615 1 6 . 1 1 24 24 ASP CB C 24 40.569 40.569 40.247 0.322 19036 3616 1 6 . 1 1 24 24 ASP H H 24 8.472 8.472 8.028 0.444 19036 3617 1 6 . 1 1 25 25 GLY N N 25 113.090 113.090 108.884 4.206 19036 3618 1 6 . 1 1 25 25 GLY CA C 25 45.542 45.542 45.674 -0.132 19036 3619 1 6 . 1 1 25 25 GLY H H 25 10.619 10.619 8.250 2.369 19036 3620 1 6 . 1 1 26 26 THR N N 26 112.600 112.600 110.530 2.070 19036 3621 1 6 . 1 1 26 26 THR HA H 26 5.391 5.391 5.309 0.082 19036 3622 1 6 . 1 1 26 26 THR CA C 26 59.883 59.883 59.843 0.040 19036 3623 1 6 . 1 1 26 26 THR CB C 26 72.786 72.786 72.611 0.175 19036 3624 1 6 . 1 1 26 26 THR H H 26 8.211 8.211 8.610 -0.399 19036 3625 1 6 . 1 1 27 27 ILE N N 27 126.830 126.830 124.025 2.805 19036 3626 1 6 . 1 1 27 27 ILE HA H 27 4.895 4.895 4.488 0.407 19036 3627 1 6 . 1 1 27 27 ILE CA C 27 60.856 60.856 60.422 0.434 19036 3628 1 6 . 1 1 27 27 ILE CB C 27 39.926 39.926 39.700 0.226 19036 3629 1 6 . 1 1 27 27 ILE H H 27 9.876 9.876 8.460 1.416 19036 3630 1 6 . 1 1 28 28 THR N N 28 116.500 116.500 117.850 -1.350 19036 3631 1 6 . 1 1 28 28 THR HA H 28 4.811 4.811 4.939 -0.128 19036 3632 1 6 . 1 1 28 28 THR CA C 28 59.216 59.216 59.640 -0.424 19036 3633 1 6 . 1 1 28 28 THR CB C 28 72.541 72.541 71.394 1.147 19036 3634 1 6 . 1 1 28 28 THR H H 28 8.439 8.439 9.208 -0.769 19036 3635 1 6 . 1 1 29 29 THR N N 29 112.850 112.850 115.667 -2.817 19036 3636 1 6 . 1 1 29 29 THR HA H 29 3.807 3.807 3.929 -0.122 19036 3637 1 6 . 1 1 29 29 THR CA C 29 66.516 66.516 66.100 0.416 19036 3638 1 6 . 1 1 29 29 THR CB C 29 68.018 68.018 68.159 -0.141 19036 3639 1 6 . 1 1 29 29 THR H H 29 9.238 9.238 8.983 0.255 19036 3640 1 6 . 1 1 30 30 LYS N N 30 121.130 121.130 123.379 -2.249 19036 3641 1 6 . 1 1 30 30 LYS HA H 30 4.170 4.170 3.996 0.174 19036 3642 1 6 . 1 1 30 30 LYS CA C 30 59.377 59.377 59.855 -0.478 19036 3643 1 6 . 1 1 30 30 LYS CB C 30 32.823 32.823 32.024 0.799 19036 3644 1 6 . 1 1 30 30 LYS H H 30 7.688 7.688 8.287 -0.599 19036 3645 1 6 . 1 1 31 31 GLU N N 31 121.920 121.920 119.693 2.227 19036 3646 1 6 . 1 1 31 31 GLU HA H 31 4.062 4.062 4.031 0.031 19036 3647 1 6 . 1 1 31 31 GLU CA C 31 59.579 59.579 59.444 0.135 19036 3648 1 6 . 1 1 31 31 GLU CB C 31 29.837 29.837 29.669 0.168 19036 3649 1 6 . 1 1 31 31 GLU H H 31 7.783 7.783 7.535 0.248 19036 3650 1 6 . 1 1 32 32 LEU N N 32 120.570 120.570 120.747 -0.177 19036 3651 1 6 . 1 1 32 32 LEU HA H 32 4.145 4.145 4.089 0.056 19036 3652 1 6 . 1 1 32 32 LEU CA C 32 58.321 58.321 57.906 0.415 19036 3653 1 6 . 1 1 32 32 LEU CB C 32 42.697 42.697 42.123 0.573 19036 3654 1 6 . 1 1 32 32 LEU H H 32 8.705 8.705 8.045 0.660 19036 3655 1 6 . 1 1 33 33 GLY N N 33 105.720 105.720 105.803 -0.083 19036 3656 1 6 . 1 1 33 33 GLY H H 33 8.753 8.753 8.548 0.205 19036 3657 1 6 . 1 1 34 34 THR N N 34 118.370 118.370 119.123 -0.753 19036 3658 1 6 . 1 1 34 34 THR HA H 34 3.961 3.961 3.995 -0.034 19036 3659 1 6 . 1 1 34 34 THR CA C 34 67.097 67.097 66.124 0.973 19036 3660 1 6 . 1 1 34 34 THR CB C 34 68.869 68.869 68.362 0.507 19036 3661 1 6 . 1 1 34 34 THR H H 34 8.071 8.071 8.069 0.002 19036 3662 1 6 . 1 1 35 35 VAL N N 35 122.170 122.170 121.917 0.253 19036 3663 1 6 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.806 -0.197 19036 3664 1 6 . 1 1 35 35 VAL CA C 35 66.538 66.538 64.971 1.567 19036 3665 1 6 . 1 1 35 35 VAL CB C 35 31.589 31.589 31.560 0.029 19036 3666 1 6 . 1 1 35 35 VAL H H 35 7.738 7.738 7.494 0.244 19036 3667 1 6 . 1 1 36 36 MET N N 36 118.620 118.620 120.589 -1.969 19036 3668 1 6 . 1 1 36 36 MET HA H 36 4.043 4.043 4.097 -0.054 19036 3669 1 6 . 1 1 36 36 MET CA C 36 59.594 59.594 59.083 0.511 19036 3670 1 6 . 1 1 36 36 MET CB C 36 31.850 31.850 32.413 -0.563 19036 3671 1 6 . 1 1 36 36 MET H H 36 8.559 8.559 8.487 0.072 19036 3672 1 6 . 1 1 37 37 ARG N N 37 118.920 118.920 118.618 0.302 19036 3673 1 6 . 1 1 37 37 ARG HA H 37 4.798 4.798 4.213 0.585 19036 3674 1 6 . 1 1 37 37 ARG CA C 37 59.518 59.518 59.179 0.339 19036 3675 1 6 . 1 1 37 37 ARG CB C 37 30.189 30.189 29.918 0.271 19036 3676 1 6 . 1 1 37 37 ARG H H 37 8.638 8.638 8.119 0.519 19036 3677 1 6 . 1 1 38 38 SER N N 38 119.000 119.000 115.809 3.191 19036 3678 1 6 . 1 1 38 38 SER HA H 38 4.420 4.420 4.182 0.238 19036 3679 1 6 . 1 1 38 38 SER CA C 38 61.682 61.682 61.308 0.374 19036 3680 1 6 . 1 1 38 38 SER CB C 38 62.890 62.890 63.013 -0.123 19036 3681 1 6 . 1 1 38 38 SER H H 38 7.994 7.994 7.746 0.248 19036 3682 1 6 . 1 1 39 39 LEU N N 39 120.790 120.790 120.442 0.348 19036 3683 1 6 . 1 1 39 39 LEU HA H 39 4.498 4.498 4.186 0.312 19036 3684 1 6 . 1 1 39 39 LEU CA C 39 54.405 54.405 55.029 -0.624 19036 3685 1 6 . 1 1 39 39 LEU CB C 39 41.979 41.979 41.900 0.079 19036 3686 1 6 . 1 1 39 39 LEU H H 39 7.426 7.426 7.432 -0.006 19036 3687 1 6 . 1 1 40 40 GLY N N 40 106.830 106.830 107.404 -0.574 19036 3688 1 6 . 1 1 40 40 GLY CA C 40 45.713 45.713 45.611 0.102 19036 3689 1 6 . 1 1 40 40 GLY H H 40 7.896 7.896 7.731 0.165 19036 3690 1 6 . 1 1 41 41 GLN N N 41 118.330 118.330 117.850 0.480 19036 3691 1 6 . 1 1 41 41 GLN HA H 41 4.503 4.503 4.447 0.056 19036 3692 1 6 . 1 1 41 41 GLN CA C 41 54.585 54.585 54.371 0.214 19036 3693 1 6 . 1 1 41 41 GLN CB C 41 30.591 30.591 31.653 -1.062 19036 3694 1 6 . 1 1 41 41 GLN H H 41 7.865 7.865 7.711 0.154 19036 3695 1 6 . 1 1 42 42 ASN N N 42 116.490 116.490 118.089 -1.599 19036 3696 1 6 . 1 1 42 42 ASN HA H 42 5.214 5.214 5.058 0.156 19036 3697 1 6 . 1 1 42 42 ASN CA C 42 51.351 51.351 51.330 0.021 19036 3698 1 6 . 1 1 42 42 ASN CB C 42 39.402 39.402 37.934 1.468 19036 3699 1 6 . 1 1 42 42 ASN H H 42 8.771 8.771 8.612 0.159 19036 3700 1 6 . 1 1 43 43 PRO HA H 43 4.779 4.779 4.691 0.088 19036 3701 1 6 . 1 1 43 43 PRO CA C 43 62.475 62.475 62.843 -0.368 19036 3702 1 6 . 1 1 43 43 PRO CB C 43 32.084 32.084 33.235 -1.151 19036 3703 1 6 . 1 1 44 44 THR N N 44 113.050 113.050 112.534 0.516 19036 3704 1 6 . 1 1 44 44 THR HA H 44 4.487 4.487 4.610 -0.123 19036 3705 1 6 . 1 1 44 44 THR CA C 44 60.565 60.565 59.931 0.634 19036 3706 1 6 . 1 1 44 44 THR CB C 44 71.260 71.260 71.517 -0.257 19036 3707 1 6 . 1 1 44 44 THR H H 44 8.808 8.808 8.304 0.504 19036 3708 1 6 . 1 1 45 45 GLU N N 45 120.700 120.700 122.952 -2.252 19036 3709 1 6 . 1 1 45 45 GLU HA H 45 4.001 4.001 3.964 0.037 19036 3710 1 6 . 1 1 45 45 GLU CA C 45 60.082 60.082 59.969 0.113 19036 3711 1 6 . 1 1 45 45 GLU CB C 45 29.129 29.129 29.394 -0.265 19036 3712 1 6 . 1 1 45 45 GLU H H 45 8.842 8.842 9.056 -0.214 19036 3713 1 6 . 1 1 46 46 ALA N N 46 120.880 120.880 121.547 -0.667 19036 3714 1 6 . 1 1 46 46 ALA HA H 46 4.125 4.125 4.156 -0.031 19036 3715 1 6 . 1 1 46 46 ALA CA C 46 55.125 55.125 54.841 0.284 19036 3716 1 6 . 1 1 46 46 ALA CB C 46 18.342 18.342 18.026 0.316 19036 3717 1 6 . 1 1 46 46 ALA H H 46 8.305 8.305 8.309 -0.004 19036 3718 1 6 . 1 1 47 47 GLU N N 47 118.780 118.780 119.861 -1.081 19036 3719 1 6 . 1 1 47 47 GLU HA H 47 4.040 4.040 4.033 0.007 19036 3720 1 6 . 1 1 47 47 GLU CA C 47 59.144 59.144 59.124 0.020 19036 3721 1 6 . 1 1 47 47 GLU CB C 47 29.886 29.886 29.631 0.254 19036 3722 1 6 . 1 1 47 47 GLU H H 47 7.736 7.736 7.661 0.075 19036 3723 1 6 . 1 1 48 48 LEU N N 48 120.120 120.120 120.218 -0.098 19036 3724 1 6 . 1 1 48 48 LEU HA H 48 4.079 4.079 4.032 0.047 19036 3725 1 6 . 1 1 48 48 LEU CA C 48 57.955 57.955 57.736 0.219 19036 3726 1 6 . 1 1 48 48 LEU CB C 48 42.516 42.516 41.828 0.688 19036 3727 1 6 . 1 1 48 48 LEU H H 48 8.169 8.169 7.908 0.261 19036 3728 1 6 . 1 1 49 49 GLN N N 49 118.390 118.390 119.175 -0.785 19036 3729 1 6 . 1 1 49 49 GLN HA H 49 3.849 3.849 3.924 -0.075 19036 3730 1 6 . 1 1 49 49 GLN CA C 49 58.676 58.676 59.041 -0.365 19036 3731 1 6 . 1 1 49 49 GLN CB C 49 28.341 28.341 28.066 0.275 19036 3732 1 6 . 1 1 49 49 GLN H H 49 8.235 8.235 8.113 0.122 19036 3733 1 6 . 1 1 50 50 ASP N N 50 120.090 120.090 120.644 -0.554 19036 3734 1 6 . 1 1 50 50 ASP HA H 50 4.439 4.439 4.398 0.041 19036 3735 1 6 . 1 1 50 50 ASP CA C 50 57.643 57.643 56.893 0.750 19036 3736 1 6 . 1 1 50 50 ASP CB C 50 40.366 40.366 40.703 -0.337 19036 3737 1 6 . 1 1 50 50 ASP H H 50 8.164 8.164 7.830 0.334 19036 3738 1 6 . 1 1 51 51 MET N N 51 119.330 119.330 118.793 0.537 19036 3739 1 6 . 1 1 51 51 MET HA H 51 4.021 4.021 4.101 -0.080 19036 3740 1 6 . 1 1 51 51 MET CA C 51 59.332 59.332 59.385 -0.053 19036 3741 1 6 . 1 1 51 51 MET CB C 51 33.713 33.713 32.912 0.801 19036 3742 1 6 . 1 1 51 51 MET H H 51 7.909 7.909 7.458 0.451 19036 3743 1 6 . 1 1 52 52 ILE N N 52 118.080 118.080 119.250 -1.170 19036 3744 1 6 . 1 1 52 52 ILE HA H 52 3.581 3.581 3.672 -0.091 19036 3745 1 6 . 1 1 52 52 ILE CA C 52 64.476 64.476 64.795 -0.319 19036 3746 1 6 . 1 1 52 52 ILE CB C 52 37.177 37.177 36.958 0.219 19036 3747 1 6 . 1 1 52 52 ILE H H 52 7.767 7.767 8.098 -0.331 19036 3748 1 6 . 1 1 53 53 ASN N N 53 117.980 117.980 118.331 -0.351 19036 3749 1 6 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.481 -0.064 19036 3750 1 6 . 1 1 53 53 ASN CA C 53 55.988 55.988 55.821 0.167 19036 3751 1 6 . 1 1 53 53 ASN CB C 53 38.211 38.211 37.751 0.460 19036 3752 1 6 . 1 1 53 53 ASN H H 53 8.669 8.669 8.370 0.299 19036 3753 1 6 . 1 1 54 54 GLU N N 54 116.350 116.350 119.342 -2.992 19036 3754 1 6 . 1 1 54 54 GLU HA H 54 4.066 4.066 4.138 -0.072 19036 3755 1 6 . 1 1 54 54 GLU CA C 54 58.930 58.930 58.593 0.338 19036 3756 1 6 . 1 1 54 54 GLU CB C 54 30.404 30.404 30.046 0.358 19036 3757 1 6 . 1 1 54 54 GLU H H 54 7.566 7.566 7.678 -0.112 19036 3758 1 6 . 1 1 55 55 VAL N N 55 110.520 110.520 117.363 -6.843 19036 3759 1 6 . 1 1 55 55 VAL HA H 55 4.366 4.366 4.281 0.085 19036 3760 1 6 . 1 1 55 55 VAL CA C 55 61.089 61.089 60.833 0.256 19036 3761 1 6 . 1 1 55 55 VAL CB C 55 33.088 33.088 31.971 1.117 19036 3762 1 6 . 1 1 55 55 VAL H H 55 7.242 7.242 7.646 -0.404 19036 3763 1 6 . 1 1 56 56 ASP N N 56 121.390 121.390 121.941 -0.551 19036 3764 1 6 . 1 1 56 56 ASP HA H 56 4.582 4.582 4.745 -0.163 19036 3765 1 6 . 1 1 56 56 ASP CA C 56 53.916 53.916 53.541 0.375 19036 3766 1 6 . 1 1 56 56 ASP CB C 56 40.588 40.588 40.462 0.126 19036 3767 1 6 . 1 1 56 56 ASP H H 56 7.749 7.749 7.595 0.154 19036 3768 1 6 . 1 1 57 57 ALA N N 57 131.640 131.640 129.374 2.266 19036 3769 1 6 . 1 1 57 57 ALA HA H 57 4.247 4.247 4.331 -0.084 19036 3770 1 6 . 1 1 57 57 ALA CA C 57 54.341 54.341 53.627 0.714 19036 3771 1 6 . 1 1 57 57 ALA CB C 57 19.800 19.800 19.884 -0.084 19036 3772 1 6 . 1 1 57 57 ALA H H 57 8.323 8.323 8.128 0.195 19036 3773 1 6 . 1 1 58 58 ASP N N 58 114.000 114.000 116.381 -2.381 19036 3774 1 6 . 1 1 58 58 ASP HA H 58 4.682 4.682 4.625 0.057 19036 3775 1 6 . 1 1 58 58 ASP CA C 58 52.705 52.705 53.170 -0.465 19036 3776 1 6 . 1 1 58 58 ASP CB C 58 39.931 39.931 40.693 -0.762 19036 3777 1 6 . 1 1 58 58 ASP H H 58 8.240 8.240 7.940 0.300 19036 3778 1 6 . 1 1 59 59 GLY N N 59 108.660 108.660 108.715 -0.055 19036 3779 1 6 . 1 1 59 59 GLY CA C 59 47.306 47.306 46.043 1.263 19036 3780 1 6 . 1 1 59 59 GLY H H 59 7.635 7.635 8.762 -1.127 19036 3781 1 6 . 1 1 60 60 ASN N N 60 118.730 118.730 119.452 -0.722 19036 3782 1 6 . 1 1 60 60 ASN HA H 60 4.658 4.658 4.728 -0.070 19036 3783 1 6 . 1 1 60 60 ASN CA C 60 52.805 52.805 51.969 0.836 19036 3784 1 6 . 1 1 60 60 ASN CB C 60 37.716 37.716 38.658 -0.942 19036 3785 1 6 . 1 1 60 60 ASN H H 60 8.184 8.184 8.996 -0.812 19036 3786 1 6 . 1 1 61 61 GLY N N 61 113.430 113.430 109.719 3.711 19036 3787 1 6 . 1 1 61 61 GLY CA C 61 45.753 45.753 46.119 -0.366 19036 3788 1 6 . 1 1 61 61 GLY H H 61 10.605 10.605 8.601 2.004 19036 3789 1 6 . 1 1 62 62 THR N N 62 108.750 108.750 110.086 -1.336 19036 3790 1 6 . 1 1 62 62 THR HA H 62 4.874 4.874 4.930 -0.056 19036 3791 1 6 . 1 1 62 62 THR CA C 62 59.541 59.541 59.793 -0.252 19036 3792 1 6 . 1 1 62 62 THR CB C 62 72.168 72.168 72.474 -0.306 19036 3793 1 6 . 1 1 62 62 THR H H 62 7.699 7.699 8.309 -0.610 19036 3794 1 6 . 1 1 63 63 ILE N N 63 123.510 123.510 122.901 0.609 19036 3795 1 6 . 1 1 63 63 ILE HA H 63 5.160 5.160 4.663 0.497 19036 3796 1 6 . 1 1 63 63 ILE CA C 63 59.959 59.959 60.280 -0.321 19036 3797 1 6 . 1 1 63 63 ILE CB C 63 39.836 39.836 39.754 0.082 19036 3798 1 6 . 1 1 63 63 ILE H H 63 8.823 8.823 8.094 0.729 19036 3799 1 6 . 1 1 64 64 ASP N N 64 128.370 128.370 127.862 0.508 19036 3800 1 6 . 1 1 64 64 ASP HA H 64 5.463 5.463 5.080 0.383 19036 3801 1 6 . 1 1 64 64 ASP CA C 64 52.257 52.257 53.421 -1.164 19036 3802 1 6 . 1 1 64 64 ASP CB C 64 42.416 42.416 42.215 0.202 19036 3803 1 6 . 1 1 64 64 ASP H H 64 8.946 8.946 8.289 0.657 19036 3804 1 6 . 1 1 65 65 PHE N N 65 118.870 118.870 124.184 -5.314 19036 3805 1 6 . 1 1 65 65 PHE HA H 65 4.028 4.028 3.685 0.343 19036 3806 1 6 . 1 1 65 65 PHE CA C 65 63.404 63.404 63.114 0.290 19036 3807 1 6 . 1 1 65 65 PHE CB C 65 36.123 36.123 36.720 -0.597 19036 3808 1 6 . 1 1 65 65 PHE H H 65 9.000 9.000 8.394 0.606 19036 3809 1 6 . 1 1 66 66 PRO HA H 66 3.918 3.918 3.603 0.315 19036 3810 1 6 . 1 1 66 66 PRO CA C 66 66.799 66.799 65.975 0.824 19036 3811 1 6 . 1 1 66 66 PRO CB C 66 30.789 30.789 30.965 -0.176 19036 3812 1 6 . 1 1 67 67 GLU N N 67 117.930 117.930 118.896 -0.966 19036 3813 1 6 . 1 1 67 67 GLU HA H 67 4.088 4.088 3.937 0.151 19036 3814 1 6 . 1 1 67 67 GLU CA C 67 58.965 58.965 59.340 -0.375 19036 3815 1 6 . 1 1 67 67 GLU CB C 67 29.677 29.677 29.244 0.433 19036 3816 1 6 . 1 1 67 67 GLU H H 67 8.185 8.185 7.686 0.499 19036 3817 1 6 . 1 1 68 68 PHE N N 68 123.830 123.830 121.241 2.589 19036 3818 1 6 . 1 1 68 68 PHE HA H 68 3.957 3.957 4.169 -0.212 19036 3819 1 6 . 1 1 68 68 PHE CA C 68 61.439 61.439 60.812 0.627 19036 3820 1 6 . 1 1 68 68 PHE CB C 68 40.429 40.429 39.092 1.337 19036 3821 1 6 . 1 1 68 68 PHE H H 68 8.794 8.794 8.073 0.721 19036 3822 1 6 . 1 1 69 69 LEU N N 69 119.410 119.410 119.682 -0.272 19036 3823 1 6 . 1 1 69 69 LEU HA H 69 3.394 3.394 3.454 -0.060 19036 3824 1 6 . 1 1 69 69 LEU CA C 69 58.042 58.042 57.862 0.180 19036 3825 1 6 . 1 1 69 69 LEU CB C 69 41.246 41.246 41.241 0.005 19036 3826 1 6 . 1 1 69 69 LEU H H 69 8.662 8.662 8.043 0.619 19036 3827 1 6 . 1 1 70 70 THR N N 70 115.700 115.700 115.538 0.162 19036 3828 1 6 . 1 1 70 70 THR HA H 70 3.783 3.783 3.702 0.081 19036 3829 1 6 . 1 1 70 70 THR CA C 70 66.623 66.623 66.933 -0.310 19036 3830 1 6 . 1 1 70 70 THR CB C 70 68.592 68.592 68.552 0.040 19036 3831 1 6 . 1 1 70 70 THR H H 70 7.744 7.744 7.781 -0.037 19036 3832 1 6 . 1 1 71 71 MET N N 71 121.350 121.350 121.198 0.152 19036 3833 1 6 . 1 1 71 71 MET HA H 71 3.889 3.889 3.858 0.031 19036 3834 1 6 . 1 1 71 71 MET CA C 71 58.859 58.859 59.261 -0.402 19036 3835 1 6 . 1 1 71 71 MET CB C 71 32.676 32.676 32.448 0.228 19036 3836 1 6 . 1 1 71 71 MET H H 71 7.622 7.622 7.347 0.275 19036 3837 1 6 . 1 1 72 72 MET N N 72 117.390 117.390 116.713 0.677 19036 3838 1 6 . 1 1 72 72 MET HA H 72 3.973 3.973 3.867 0.106 19036 3839 1 6 . 1 1 72 72 MET CA C 72 56.030 56.030 58.674 -2.644 19036 3840 1 6 . 1 1 72 72 MET CB C 72 30.934 30.934 32.012 -1.078 19036 3841 1 6 . 1 1 72 72 MET H H 72 8.066 8.066 7.432 0.634 19036 3842 1 6 . 1 1 73 73 ALA N N 73 121.670 121.670 120.690 0.980 19036 3843 1 6 . 1 1 73 73 ALA HA H 73 4.103 4.103 4.231 -0.128 19036 3844 1 6 . 1 1 73 73 ALA CA C 73 54.517 54.517 53.719 0.798 19036 3845 1 6 . 1 1 73 73 ALA CB C 73 18.381 18.381 18.618 -0.237 19036 3846 1 6 . 1 1 73 73 ALA H H 73 8.276 8.276 7.690 0.586 19036 3847 1 6 . 1 1 74 74 ARG N N 74 117.220 117.220 118.721 -1.501 19036 3848 1 6 . 1 1 74 74 ARG HA H 74 4.113 4.113 3.923 0.190 19036 3849 1 6 . 1 1 74 74 ARG CA C 74 58.327 58.327 59.032 -0.705 19036 3850 1 6 . 1 1 74 74 ARG CB C 74 30.378 30.378 29.866 0.512 19036 3851 1 6 . 1 1 74 74 ARG H H 74 7.539 7.539 8.016 -0.477 19036 3852 1 6 . 1 1 75 75 LYS N N 75 119.120 119.120 119.811 -0.691 19036 3853 1 6 . 1 1 75 75 LYS HA H 75 4.261 4.261 4.004 0.257 19036 3854 1 6 . 1 1 75 75 LYS CA C 75 56.990 56.990 59.160 -2.170 19036 3855 1 6 . 1 1 75 75 LYS CB C 75 32.412 32.412 31.895 0.517 19036 3856 1 6 . 1 1 75 75 LYS H H 75 7.833 7.833 7.353 0.480 19036 3857 1 6 . 1 1 76 76 MET N N 76 118.860 118.860 118.418 0.442 19036 3858 1 6 . 1 1 76 76 MET HA H 76 4.370 4.370 4.219 0.151 19036 3859 1 6 . 1 1 76 76 MET CA C 76 56.700 56.700 57.908 -1.208 19036 3860 1 6 . 1 1 76 76 MET CB C 76 32.981 32.981 32.444 0.537 19036 3861 1 6 . 1 1 76 76 MET H H 76 8.000 8.000 7.713 0.287 19036 3862 1 6 . 1 1 77 77 LYS N N 77 120.200 120.200 116.895 3.305 19036 3863 1 6 . 1 1 77 77 LYS HA H 77 4.352 4.352 4.225 0.127 19036 3864 1 6 . 1 1 77 77 LYS CA C 77 56.709 56.709 56.190 0.519 19036 3865 1 6 . 1 1 77 77 LYS CB C 77 33.138 33.138 32.587 0.551 19036 3866 1 6 . 1 1 77 77 LYS H H 77 7.866 7.866 7.740 0.126 19036 3867 1 6 . 1 1 78 78 ASP N N 78 121.430 121.430 117.719 3.711 19036 3868 1 6 . 1 1 78 78 ASP HA H 78 4.691 4.691 4.373 0.318 19036 3869 1 6 . 1 1 78 78 ASP CA C 78 54.771 54.771 54.980 -0.209 19036 3870 1 6 . 1 1 78 78 ASP CB C 78 41.222 41.222 39.988 1.234 19036 3871 1 6 . 1 1 78 78 ASP H H 78 8.250 8.250 8.027 0.223 19036 3872 1 6 . 1 1 79 79 THR N N 79 114.390 114.390 112.740 1.650 19036 3873 1 6 . 1 1 79 79 THR HA H 79 4.337 4.337 4.263 0.074 19036 3874 1 6 . 1 1 79 79 THR CA C 79 62.349 62.349 64.135 -1.786 19036 3875 1 6 . 1 1 79 79 THR CB C 79 69.875 69.875 69.210 0.665 19036 3876 1 6 . 1 1 79 79 THR H H 79 8.093 8.093 7.881 0.212 19036 3877 1 6 . 1 1 80 80 ASP N N 80 123.460 123.460 121.666 1.794 19036 3878 1 6 . 1 1 80 80 ASP HA H 80 4.721 4.721 4.621 0.100 19036 3879 1 6 . 1 1 80 80 ASP CA C 80 54.655 54.655 55.784 -1.129 19036 3880 1 6 . 1 1 80 80 ASP CB C 80 41.416 41.416 40.272 1.144 19036 3881 1 6 . 1 1 80 80 ASP H H 80 8.455 8.455 8.501 -0.046 19036 3882 1 6 . 1 1 81 81 SER N N 81 117.440 117.440 115.439 2.001 19036 3883 1 6 . 1 1 81 81 SER HA H 81 4.455 4.455 4.079 0.376 19036 3884 1 6 . 1 1 81 81 SER CA C 81 59.571 59.571 62.068 -2.497 19036 3885 1 6 . 1 1 81 81 SER CB C 81 63.825 63.825 62.745 1.079 19036 3886 1 6 . 1 1 81 81 SER H H 81 8.505 8.505 8.620 -0.115 19036 3887 1 6 . 1 1 82 82 GLU N N 82 122.380 122.380 120.453 1.927 19036 3888 1 6 . 1 1 82 82 GLU HA H 82 4.185 4.185 3.985 0.200 19036 3889 1 6 . 1 1 82 82 GLU CA C 82 58.800 58.800 59.777 -0.977 19036 3890 1 6 . 1 1 82 82 GLU CB C 82 29.660 29.660 28.955 0.705 19036 3891 1 6 . 1 1 82 82 GLU H H 82 8.508 8.508 8.000 0.508 19036 3892 1 6 . 1 1 83 83 GLU N N 83 119.670 119.670 120.194 -0.524 19036 3893 1 6 . 1 1 83 83 GLU HA H 83 4.085 4.085 4.041 0.044 19036 3894 1 6 . 1 1 83 83 GLU CA C 83 59.576 59.576 59.353 0.223 19036 3895 1 6 . 1 1 83 83 GLU CB C 83 29.410 29.410 29.299 0.111 19036 3896 1 6 . 1 1 83 83 GLU H H 83 8.297 8.297 8.070 0.227 19036 3897 1 6 . 1 1 84 84 GLU N N 84 118.700 118.700 120.112 -1.412 19036 3898 1 6 . 1 1 84 84 GLU HA H 84 4.135 4.135 4.162 -0.027 19036 3899 1 6 . 1 1 84 84 GLU CA C 84 59.523 59.523 59.321 0.202 19036 3900 1 6 . 1 1 84 84 GLU CB C 84 29.607 29.607 29.656 -0.049 19036 3901 1 6 . 1 1 84 84 GLU H H 84 8.218 8.218 7.881 0.337 19036 3902 1 6 . 1 1 85 85 ILE N N 85 121.500 121.500 120.221 1.279 19036 3903 1 6 . 1 1 85 85 ILE HA H 85 3.981 3.981 3.768 0.213 19036 3904 1 6 . 1 1 85 85 ILE CA C 85 64.941 64.941 65.877 -0.936 19036 3905 1 6 . 1 1 85 85 ILE CB C 85 37.484 37.484 37.872 -0.388 19036 3906 1 6 . 1 1 85 85 ILE H H 85 7.980 7.980 8.424 -0.444 19036 3907 1 6 . 1 1 86 86 ARG N N 86 121.710 121.710 118.542 3.168 19036 3908 1 6 . 1 1 86 86 ARG HA H 86 4.186 4.186 4.277 -0.091 19036 3909 1 6 . 1 1 86 86 ARG CA C 86 60.202 60.202 59.642 0.560 19036 3910 1 6 . 1 1 86 86 ARG CB C 86 30.026 30.026 30.205 -0.179 19036 3911 1 6 . 1 1 86 86 ARG H H 86 8.471 8.471 7.926 0.545 19036 3912 1 6 . 1 1 87 87 GLU N N 87 118.710 118.710 119.844 -1.134 19036 3913 1 6 . 1 1 87 87 GLU HA H 87 4.179 4.179 4.219 -0.040 19036 3914 1 6 . 1 1 87 87 GLU CA C 87 58.995 58.995 58.731 0.264 19036 3915 1 6 . 1 1 87 87 GLU CB C 87 29.201 29.201 29.470 -0.269 19036 3916 1 6 . 1 1 87 87 GLU H H 87 8.211 8.211 8.090 0.121 19036 3917 1 6 . 1 1 88 88 ALA N N 88 121.910 121.910 121.697 0.213 19036 3918 1 6 . 1 1 88 88 ALA HA H 88 4.180 4.180 4.248 -0.068 19036 3919 1 6 . 1 1 88 88 ALA CA C 88 55.275 55.275 55.172 0.103 19036 3920 1 6 . 1 1 88 88 ALA CB C 88 17.936 17.936 18.323 -0.387 19036 3921 1 6 . 1 1 88 88 ALA H H 88 8.037 8.037 8.806 -0.769 19036 3922 1 6 . 1 1 89 89 PHE N N 89 118.790 118.790 119.590 -0.800 19036 3923 1 6 . 1 1 89 89 PHE HA H 89 3.188 3.188 3.776 -0.588 19036 3924 1 6 . 1 1 89 89 PHE CA C 89 62.283 62.283 61.272 1.011 19036 3925 1 6 . 1 1 89 89 PHE CB C 89 39.238 39.238 39.056 0.182 19036 3926 1 6 . 1 1 89 89 PHE H H 89 8.623 8.623 7.846 0.777 19036 3927 1 6 . 1 1 90 90 ARG N N 90 115.890 115.890 119.608 -3.718 19036 3928 1 6 . 1 1 90 90 ARG HA H 90 3.906 3.906 4.158 -0.252 19036 3929 1 6 . 1 1 90 90 ARG CA C 90 58.950 58.950 59.765 -0.815 19036 3930 1 6 . 1 1 90 90 ARG CB C 90 30.414 30.414 30.213 0.201 19036 3931 1 6 . 1 1 90 90 ARG H H 90 7.775 7.775 7.912 -0.137 19036 3932 1 6 . 1 1 91 91 VAL N N 91 118.320 118.320 117.598 0.722 19036 3933 1 6 . 1 1 91 91 VAL HA H 91 3.515 3.515 3.765 -0.250 19036 3934 1 6 . 1 1 91 91 VAL CA C 91 65.726 65.726 65.260 0.466 19036 3935 1 6 . 1 1 91 91 VAL CB C 91 31.579 31.579 31.582 -0.003 19036 3936 1 6 . 1 1 91 91 VAL H H 91 7.538 7.538 7.377 0.161 19036 3937 1 6 . 1 1 92 92 PHE N N 92 115.750 115.750 116.945 -1.195 19036 3938 1 6 . 1 1 92 92 PHE HA H 92 4.247 4.247 4.144 0.103 19036 3939 1 6 . 1 1 92 92 PHE CA C 92 60.241 60.241 60.916 -0.675 19036 3940 1 6 . 1 1 92 92 PHE CB C 92 40.951 40.951 39.336 1.615 19036 3941 1 6 . 1 1 92 92 PHE H H 92 7.381 7.381 7.998 -0.617 19036 3942 1 6 . 1 1 93 93 ASP N N 93 116.590 116.590 118.040 -1.450 19036 3943 1 6 . 1 1 93 93 ASP HA H 93 4.590 4.590 4.832 -0.242 19036 3944 1 6 . 1 1 93 93 ASP CA C 93 52.466 52.466 52.467 -0.000 19036 3945 1 6 . 1 1 93 93 ASP CB C 93 38.478 38.478 39.499 -1.021 19036 3946 1 6 . 1 1 93 93 ASP H H 93 7.900 7.900 7.892 0.008 19036 3947 1 6 . 1 1 94 94 LYS N N 94 126.160 126.160 123.064 3.096 19036 3948 1 6 . 1 1 94 94 LYS HA H 94 3.945 3.945 4.162 -0.217 19036 3949 1 6 . 1 1 94 94 LYS CA C 94 59.072 59.072 57.651 1.421 19036 3950 1 6 . 1 1 94 94 LYS CB C 94 32.589 32.589 32.497 0.092 19036 3951 1 6 . 1 1 94 94 LYS H H 94 7.790 7.790 7.791 -0.001 19036 3952 1 6 . 1 1 95 95 ASP N N 95 114.060 114.060 120.589 -6.529 19036 3953 1 6 . 1 1 95 95 ASP HA H 95 4.579 4.579 4.511 0.068 19036 3954 1 6 . 1 1 95 95 ASP CA C 95 53.120 53.120 55.890 -2.770 19036 3955 1 6 . 1 1 95 95 ASP CB C 95 40.043 40.043 40.743 -0.700 19036 3956 1 6 . 1 1 95 95 ASP H H 95 8.237 8.237 9.050 -0.813 19036 3957 1 6 . 1 1 96 96 GLY N N 96 109.410 109.410 106.566 2.844 19036 3958 1 6 . 1 1 96 96 GLY CA C 96 47.263 47.263 45.765 1.498 19036 3959 1 6 . 1 1 96 96 GLY H H 96 7.839 7.839 8.905 -1.066 19036 3960 1 6 . 1 1 97 97 ASN N N 97 119.630 119.630 119.946 -0.316 19036 3961 1 6 . 1 1 97 97 ASN HA H 97 4.659 4.659 4.691 -0.032 19036 3962 1 6 . 1 1 97 97 ASN CA C 97 52.681 52.681 52.751 -0.070 19036 3963 1 6 . 1 1 97 97 ASN CB C 97 38.311 38.311 38.384 -0.073 19036 3964 1 6 . 1 1 97 97 ASN H H 97 8.377 8.377 8.257 0.120 19036 3965 1 6 . 1 1 98 98 GLY N N 98 112.970 112.970 107.688 5.282 19036 3966 1 6 . 1 1 98 98 GLY CA C 98 45.183 45.183 45.581 -0.398 19036 3967 1 6 . 1 1 98 98 GLY H H 98 10.687 10.687 8.503 2.184 19036 3968 1 6 . 1 1 99 99 TYR N N 99 116.080 116.080 118.740 -2.660 19036 3969 1 6 . 1 1 99 99 TYR HA H 99 5.065 5.065 5.155 -0.090 19036 3970 1 6 . 1 1 99 99 TYR CA C 99 56.198 56.198 57.160 -0.962 19036 3971 1 6 . 1 1 99 99 TYR CB C 99 43.110 43.110 41.781 1.329 19036 3972 1 6 . 1 1 99 99 TYR H H 99 7.671 7.671 7.964 -0.293 19036 3973 1 6 . 1 1 100 100 ILE N N 100 127.320 127.320 124.398 2.922 19036 3974 1 6 . 1 1 100 100 ILE HA H 100 4.780 4.780 4.696 0.084 19036 3975 1 6 . 1 1 100 100 ILE CA C 100 60.731 60.731 60.547 0.184 19036 3976 1 6 . 1 1 100 100 ILE CB C 100 39.050 39.050 39.448 -0.398 19036 3977 1 6 . 1 1 100 100 ILE H H 100 10.163 10.163 8.870 1.293 19036 3978 1 6 . 1 1 101 101 SER N N 101 123.810 123.810 122.749 1.061 19036 3979 1 6 . 1 1 101 101 SER HA H 101 4.898 4.898 4.883 0.015 19036 3980 1 6 . 1 1 101 101 SER CA C 101 55.840 55.840 56.338 -0.498 19036 3981 1 6 . 1 1 101 101 SER CB C 101 66.799 66.799 66.413 0.386 19036 3982 1 6 . 1 1 101 101 SER H H 101 8.970 8.970 8.252 0.718 19036 3983 1 6 . 1 1 102 102 ALA N N 102 123.130 123.130 124.207 -1.077 19036 3984 1 6 . 1 1 102 102 ALA HA H 102 3.927 3.927 3.989 -0.062 19036 3985 1 6 . 1 1 102 102 ALA CA C 102 56.023 56.023 55.151 0.872 19036 3986 1 6 . 1 1 102 102 ALA CB C 102 18.139 18.139 18.088 0.051 19036 3987 1 6 . 1 1 102 102 ALA H H 102 9.269 9.269 8.858 0.411 19036 3988 1 6 . 1 1 103 103 ALA N N 103 118.460 118.460 120.536 -2.076 19036 3989 1 6 . 1 1 103 103 ALA HA H 103 4.058 4.058 4.102 -0.044 19036 3990 1 6 . 1 1 103 103 ALA CA C 103 55.250 55.250 54.803 0.446 19036 3991 1 6 . 1 1 103 103 ALA CB C 103 18.492 18.492 18.111 0.381 19036 3992 1 6 . 1 1 103 103 ALA H H 103 8.294 8.294 8.428 -0.134 19036 3993 1 6 . 1 1 104 104 GLU N N 104 120.070 120.070 119.033 1.037 19036 3994 1 6 . 1 1 104 104 GLU HA H 104 4.073 4.073 4.016 0.057 19036 3995 1 6 . 1 1 104 104 GLU CA C 104 59.567 59.567 59.234 0.333 19036 3996 1 6 . 1 1 104 104 GLU CB C 104 29.262 29.262 29.526 -0.264 19036 3997 1 6 . 1 1 104 104 GLU H H 104 7.939 7.939 7.719 0.220 19036 3998 1 6 . 1 1 105 105 LEU N N 105 120.990 120.990 120.057 0.933 19036 3999 1 6 . 1 1 105 105 LEU HA H 105 4.133 4.133 4.097 0.036 19036 4000 1 6 . 1 1 105 105 LEU CA C 105 58.618 58.618 58.545 0.073 19036 4001 1 6 . 1 1 105 105 LEU CB C 105 42.210 42.210 41.926 0.284 19036 4002 1 6 . 1 1 105 105 LEU H H 105 8.534 8.534 7.548 0.986 19036 4003 1 6 . 1 1 106 106 ARG N N 106 117.580 117.580 118.071 -0.491 19036 4004 1 6 . 1 1 106 106 ARG HA H 106 3.832 3.832 3.965 -0.133 19036 4005 1 6 . 1 1 106 106 ARG CA C 106 60.041 60.041 59.906 0.135 19036 4006 1 6 . 1 1 106 106 ARG CB C 106 30.648 30.648 30.053 0.595 19036 4007 1 6 . 1 1 106 106 ARG H H 106 8.667 8.667 7.815 0.852 19036 4008 1 6 . 1 1 107 107 HIS N N 107 118.880 118.880 119.582 -0.702 19036 4009 1 6 . 1 1 107 107 HIS HA H 107 4.338 4.338 4.291 0.047 19036 4010 1 6 . 1 1 107 107 HIS CA C 107 59.771 59.771 59.070 0.701 19036 4011 1 6 . 1 1 107 107 HIS CB C 107 30.491 30.491 29.708 0.783 19036 4012 1 6 . 1 1 107 107 HIS H H 107 8.071 8.071 7.678 0.393 19036 4013 1 6 . 1 1 108 108 VAL N N 108 119.170 119.170 118.804 0.366 19036 4014 1 6 . 1 1 108 108 VAL HA H 108 3.556 3.556 3.483 0.073 19036 4015 1 6 . 1 1 108 108 VAL CA C 108 66.580 66.580 66.392 0.188 19036 4016 1 6 . 1 1 108 108 VAL CB C 108 31.920 31.920 31.156 0.764 19036 4017 1 6 . 1 1 108 108 VAL H H 108 8.107 8.107 7.580 0.527 19036 4018 1 6 . 1 1 109 109 MET N N 109 116.290 116.290 118.148 -1.858 19036 4019 1 6 . 1 1 109 109 MET HA H 109 4.326 4.326 4.070 0.256 19036 4020 1 6 . 1 1 109 109 MET CA C 109 57.824 57.824 59.553 -1.729 19036 4021 1 6 . 1 1 109 109 MET CB C 109 31.052 31.052 32.454 -1.402 19036 4022 1 6 . 1 1 109 109 MET H H 109 8.280 8.280 8.242 0.038 19036 4023 1 6 . 1 1 110 110 THR N N 110 115.190 115.190 115.729 -0.539 19036 4024 1 6 . 1 1 110 110 THR HA H 110 4.166 4.166 3.890 0.276 19036 4025 1 6 . 1 1 110 110 THR CA C 110 66.182 66.182 66.748 -0.566 19036 4026 1 6 . 1 1 110 110 THR CB C 110 68.951 68.951 68.501 0.450 19036 4027 1 6 . 1 1 110 110 THR H H 110 8.244 8.244 8.049 0.195 19036 4028 1 6 . 1 1 111 111 ASN N N 111 122.310 122.310 119.490 2.820 19036 4029 1 6 . 1 1 111 111 ASN HA H 111 4.502 4.502 4.504 -0.002 19036 4030 1 6 . 1 1 111 111 ASN CA C 111 55.931 55.931 55.490 0.441 19036 4031 1 6 . 1 1 111 111 ASN CB C 111 38.585 38.585 38.273 0.312 19036 4032 1 6 . 1 1 111 111 ASN H H 111 7.904 7.904 7.703 0.201 19036 4033 1 6 . 1 1 112 112 LEU N N 112 118.850 118.850 116.333 2.517 19036 4034 1 6 . 1 1 112 112 LEU HA H 112 4.354 4.354 4.587 -0.233 19036 4035 1 6 . 1 1 112 112 LEU CA C 112 55.274 55.274 55.176 0.098 19036 4036 1 6 . 1 1 112 112 LEU CB C 112 42.218 42.218 42.606 -0.388 19036 4037 1 6 . 1 1 112 112 LEU H H 112 7.873 7.873 7.699 0.174 19036 4038 1 6 . 1 1 113 113 GLY N N 113 106.700 106.700 108.161 -1.461 19036 4039 1 6 . 1 1 113 113 GLY CA C 113 45.596 45.596 45.520 0.076 19036 4040 1 6 . 1 1 113 113 GLY H H 113 7.844 7.844 8.137 -0.293 19036 4041 1 6 . 1 1 114 114 GLU N N 114 120.140 120.140 117.802 2.338 19036 4042 1 6 . 1 1 114 114 GLU HA H 114 4.459 4.459 4.417 0.042 19036 4043 1 6 . 1 1 114 114 GLU CA C 114 55.046 55.046 55.272 -0.226 19036 4044 1 6 . 1 1 114 114 GLU CB C 114 30.469 30.469 31.079 -0.610 19036 4045 1 6 . 1 1 114 114 GLU H H 114 7.946 7.946 7.923 0.023 19036 4046 1 6 . 1 1 115 115 LYS N N 115 124.130 124.130 121.251 2.879 19036 4047 1 6 . 1 1 115 115 LYS HA H 115 4.394 4.394 4.165 0.229 19036 4048 1 6 . 1 1 115 115 LYS CA C 115 55.794 55.794 57.049 -1.255 19036 4049 1 6 . 1 1 115 115 LYS CB C 115 32.191 32.191 32.862 -0.671 19036 4050 1 6 . 1 1 115 115 LYS H H 115 8.646 8.646 8.338 0.308 19036 4051 1 6 . 1 1 116 116 LEU N N 116 124.840 124.840 126.531 -1.691 19036 4052 1 6 . 1 1 116 116 LEU HA H 116 4.793 4.793 4.769 0.024 19036 4053 1 6 . 1 1 116 116 LEU CA C 116 54.127 54.127 53.396 0.731 19036 4054 1 6 . 1 1 116 116 LEU CB C 116 44.934 44.934 43.911 1.023 19036 4055 1 6 . 1 1 116 116 LEU H H 116 8.097 8.097 8.193 -0.096 19036 4056 1 6 . 1 1 117 117 THR N N 117 114.690 114.690 110.450 4.240 19036 4057 1 6 . 1 1 117 117 THR HA H 117 4.492 4.492 4.498 -0.006 19036 4058 1 6 . 1 1 117 117 THR CA C 117 60.751 60.751 60.585 0.166 19036 4059 1 6 . 1 1 117 117 THR CB C 117 71.303 71.303 70.671 0.632 19036 4060 1 6 . 1 1 117 117 THR H H 117 9.252 9.252 7.896 1.356 19036 4061 1 6 . 1 1 118 118 ASP N N 118 121.130 121.130 122.572 -1.442 19036 4062 1 6 . 1 1 118 118 ASP HA H 118 4.232 4.232 4.275 -0.043 19036 4063 1 6 . 1 1 118 118 ASP CA C 118 58.080 58.080 57.504 0.576 19036 4064 1 6 . 1 1 118 118 ASP CB C 118 39.870 39.870 40.760 -0.890 19036 4065 1 6 . 1 1 118 118 ASP H H 118 8.936 8.936 8.886 0.050 19036 4066 1 6 . 1 1 119 119 GLU N N 119 119.110 119.110 119.074 0.036 19036 4067 1 6 . 1 1 119 119 GLU HA H 119 4.117 4.117 4.023 0.094 19036 4068 1 6 . 1 1 119 119 GLU CA C 119 60.043 60.043 59.819 0.224 19036 4069 1 6 . 1 1 119 119 GLU CB C 119 29.135 29.135 29.510 -0.375 19036 4070 1 6 . 1 1 119 119 GLU H H 119 8.715 8.715 8.638 0.077 19036 4071 1 6 . 1 1 120 120 GLU N N 120 120.680 120.680 118.698 1.982 19036 4072 1 6 . 1 1 120 120 GLU HA H 120 4.062 4.062 4.104 -0.042 19036 4073 1 6 . 1 1 120 120 GLU CA C 120 59.138 59.138 59.242 -0.104 19036 4074 1 6 . 1 1 120 120 GLU CB C 120 30.420 30.420 29.632 0.788 19036 4075 1 6 . 1 1 120 120 GLU H H 120 7.809 7.809 7.603 0.206 19036 4076 1 6 . 1 1 121 121 VAL N N 121 120.660 120.660 118.785 1.875 19036 4077 1 6 . 1 1 121 121 VAL HA H 121 3.637 3.637 3.783 -0.146 19036 4078 1 6 . 1 1 121 121 VAL CA C 121 67.003 67.003 65.386 1.617 19036 4079 1 6 . 1 1 121 121 VAL CB C 121 31.463 31.463 31.338 0.125 19036 4080 1 6 . 1 1 121 121 VAL H H 121 8.079 8.079 7.821 0.258 19036 4081 1 6 . 1 1 122 122 ASP N N 122 119.590 119.590 120.787 -1.197 19036 4082 1 6 . 1 1 122 122 ASP HA H 122 4.349 4.349 4.320 0.029 19036 4083 1 6 . 1 1 122 122 ASP CA C 122 57.718 57.718 57.793 -0.075 19036 4084 1 6 . 1 1 122 122 ASP CB C 122 40.593 40.593 40.810 -0.217 19036 4085 1 6 . 1 1 122 122 ASP H H 122 8.124 8.124 8.676 -0.552 19036 4086 1 6 . 1 1 123 123 GLU N N 123 119.760 119.760 119.131 0.629 19036 4087 1 6 . 1 1 123 123 GLU HA H 123 4.051 4.051 3.986 0.065 19036 4088 1 6 . 1 1 123 123 GLU CA C 123 59.144 59.144 58.941 0.204 19036 4089 1 6 . 1 1 123 123 GLU CB C 123 29.161 29.161 29.541 -0.380 19036 4090 1 6 . 1 1 123 123 GLU H H 123 8.034 8.034 8.060 -0.026 19036 4091 1 6 . 1 1 124 124 MET N N 124 119.580 119.580 120.401 -0.821 19036 4092 1 6 . 1 1 124 124 MET HA H 124 4.024 4.024 4.147 -0.123 19036 4093 1 6 . 1 1 124 124 MET CA C 124 59.353 59.353 58.983 0.370 19036 4094 1 6 . 1 1 124 124 MET CB C 124 33.497 33.497 32.796 0.701 19036 4095 1 6 . 1 1 124 124 MET H H 124 7.871 7.871 7.292 0.579 19036 4096 1 6 . 1 1 125 125 ILE N N 125 118.210 118.210 119.260 -1.050 19036 4097 1 6 . 1 1 125 125 ILE HA H 125 3.524 3.524 3.633 -0.109 19036 4098 1 6 . 1 1 125 125 ILE CA C 125 63.855 63.855 64.969 -1.114 19036 4099 1 6 . 1 1 125 125 ILE CB C 125 36.457 36.457 37.154 -0.697 19036 4100 1 6 . 1 1 125 125 ILE H H 125 7.953 7.953 7.606 0.347 19036 4101 1 6 . 1 1 126 126 ARG N N 126 118.420 118.420 120.166 -1.746 19036 4102 1 6 . 1 1 126 126 ARG HA H 126 4.038 4.038 3.951 0.087 19036 4103 1 6 . 1 1 126 126 ARG CA C 126 59.809 59.809 59.611 0.198 19036 4104 1 6 . 1 1 126 126 ARG CB C 126 30.311 30.311 30.108 0.203 19036 4105 1 6 . 1 1 126 126 ARG H H 126 8.228 8.228 7.665 0.563 19036 4106 1 6 . 1 1 127 127 GLU N N 127 115.830 115.830 118.817 -2.987 19036 4107 1 6 . 1 1 127 127 GLU HA H 127 4.026 4.026 4.121 -0.095 19036 4108 1 6 . 1 1 127 127 GLU CA C 127 58.489 58.489 58.733 -0.243 19036 4109 1 6 . 1 1 127 127 GLU CB C 127 29.435 29.435 29.710 -0.275 19036 4110 1 6 . 1 1 127 127 GLU H H 127 7.950 7.950 7.761 0.190 19036 4111 1 6 . 1 1 128 128 ALA N N 128 119.010 119.010 119.016 -0.006 19036 4112 1 6 . 1 1 128 128 ALA HA H 128 4.444 4.444 4.355 0.089 19036 4113 1 6 . 1 1 128 128 ALA CA C 128 52.125 52.125 52.010 0.115 19036 4114 1 6 . 1 1 128 128 ALA CB C 128 21.322 21.322 19.618 1.704 19036 4115 1 6 . 1 1 128 128 ALA H H 128 7.386 7.386 7.450 -0.064 19036 4116 1 6 . 1 1 129 129 ASP N N 129 117.790 117.790 119.410 -1.620 19036 4117 1 6 . 1 1 129 129 ASP HA H 129 4.516 4.516 4.676 -0.160 19036 4118 1 6 . 1 1 129 129 ASP CA C 129 54.190 54.190 53.837 0.353 19036 4119 1 6 . 1 1 129 129 ASP CB C 129 40.587 40.587 39.858 0.730 19036 4120 1 6 . 1 1 129 129 ASP H H 129 7.913 7.913 7.658 0.255 19036 4121 1 6 . 1 1 130 130 ILE N N 130 127.770 127.770 123.653 4.117 19036 4122 1 6 . 1 1 130 130 ILE HA H 130 3.938 3.938 4.041 -0.103 19036 4123 1 6 . 1 1 130 130 ILE CA C 130 63.431 63.431 62.647 0.784 19036 4124 1 6 . 1 1 130 130 ILE CB C 130 38.748 38.748 38.533 0.215 19036 4125 1 6 . 1 1 130 130 ILE H H 130 8.332 8.332 7.957 0.375 19036 4126 1 6 . 1 1 131 131 ASP N N 131 116.680 116.680 119.338 -2.658 19036 4127 1 6 . 1 1 131 131 ASP HA H 131 4.493 4.493 4.517 -0.024 19036 4128 1 6 . 1 1 131 131 ASP CA C 131 53.734 53.734 54.577 -0.843 19036 4129 1 6 . 1 1 131 131 ASP CB C 131 40.062 40.062 41.267 -1.205 19036 4130 1 6 . 1 1 131 131 ASP H H 131 8.371 8.371 9.122 -0.751 19036 4131 1 6 . 1 1 132 132 GLY N N 132 108.680 108.680 108.826 -0.146 19036 4132 1 6 . 1 1 132 132 GLY CA C 132 47.587 47.587 45.389 2.198 19036 4133 1 6 . 1 1 132 132 GLY H H 132 7.636 7.636 8.106 -0.470 19036 4134 1 6 . 1 1 133 133 ASP N N 133 120.930 120.930 120.994 -0.064 19036 4135 1 6 . 1 1 133 133 ASP HA H 133 4.530 4.530 4.562 -0.032 19036 4136 1 6 . 1 1 133 133 ASP CA C 133 53.845 53.845 53.418 0.427 19036 4137 1 6 . 1 1 133 133 ASP CB C 133 40.322 40.322 40.810 -0.489 19036 4138 1 6 . 1 1 133 133 ASP H H 133 8.378 8.378 8.753 -0.375 19036 4139 1 6 . 1 1 134 134 GLY N N 134 112.990 112.990 109.091 3.899 19036 4140 1 6 . 1 1 134 134 GLY CA C 134 45.855 45.855 45.525 0.330 19036 4141 1 6 . 1 1 134 134 GLY H H 134 10.401 10.401 8.040 2.361 19036 4142 1 6 . 1 1 135 135 GLN N N 135 115.490 115.490 117.306 -1.816 19036 4143 1 6 . 1 1 135 135 GLN HA H 135 4.887 4.887 4.677 0.210 19036 4144 1 6 . 1 1 135 135 GLN CA C 135 53.289 53.289 53.936 -0.647 19036 4145 1 6 . 1 1 135 135 GLN CB C 135 32.515 32.515 33.565 -1.050 19036 4146 1 6 . 1 1 135 135 GLN H H 135 8.007 8.007 8.579 -0.572 19036 4147 1 6 . 1 1 136 136 VAL N N 136 125.480 125.480 122.291 3.189 19036 4148 1 6 . 1 1 136 136 VAL HA H 136 5.213 5.213 4.661 0.552 19036 4149 1 6 . 1 1 136 136 VAL CA C 136 61.784 61.784 61.267 0.517 19036 4150 1 6 . 1 1 136 136 VAL CB C 136 33.839 33.839 32.262 1.577 19036 4151 1 6 . 1 1 136 136 VAL H H 136 9.167 9.167 8.072 1.095 19036 4152 1 6 . 1 1 137 137 ASN N N 137 129.140 129.140 125.372 3.768 19036 4153 1 6 . 1 1 137 137 ASN HA H 137 5.288 5.288 5.070 0.218 19036 4154 1 6 . 1 1 137 137 ASN CA C 137 51.176 51.176 50.717 0.459 19036 4155 1 6 . 1 1 137 137 ASN CB C 137 38.446 38.446 40.082 -1.636 19036 4156 1 6 . 1 1 137 137 ASN H H 137 9.576 9.576 8.000 1.576 19036 4157 1 6 . 1 1 138 138 TYR N N 138 118.600 118.600 120.562 -1.962 19036 4158 1 6 . 1 1 138 138 TYR HA H 138 3.456 3.456 4.077 -0.621 19036 4159 1 6 . 1 1 138 138 TYR CA C 138 62.842 62.842 63.958 -1.116 19036 4160 1 6 . 1 1 138 138 TYR CB C 138 37.805 37.805 38.106 -0.301 19036 4161 1 6 . 1 1 138 138 TYR H H 138 8.464 8.464 8.739 -0.275 19036 4162 1 6 . 1 1 139 139 GLU N N 139 118.470 118.470 118.948 -0.478 19036 4163 1 6 . 1 1 139 139 GLU HA H 139 3.686 3.686 3.932 -0.246 19036 4164 1 6 . 1 1 139 139 GLU CA C 139 60.456 60.456 60.571 -0.115 19036 4165 1 6 . 1 1 139 139 GLU CB C 139 29.008 29.008 28.887 0.121 19036 4166 1 6 . 1 1 139 139 GLU H H 139 8.152 8.152 8.914 -0.762 19036 4167 1 6 . 1 1 140 140 GLU N N 140 119.970 119.970 120.103 -0.133 19036 4168 1 6 . 1 1 140 140 GLU HA H 140 4.025 4.025 4.079 -0.054 19036 4169 1 6 . 1 1 140 140 GLU CA C 140 58.655 58.655 59.075 -0.420 19036 4170 1 6 . 1 1 140 140 GLU CB C 140 29.868 29.868 29.447 0.421 19036 4171 1 6 . 1 1 140 140 GLU H H 140 8.815 8.815 8.209 0.606 19036 4172 1 6 . 1 1 141 141 PHE N N 141 124.860 124.860 121.818 3.042 19036 4173 1 6 . 1 1 141 141 PHE HA H 141 4.000 4.000 4.220 -0.220 19036 4174 1 6 . 1 1 141 141 PHE CA C 141 61.733 61.733 61.438 0.295 19036 4175 1 6 . 1 1 141 141 PHE CB C 141 40.089 40.089 39.245 0.844 19036 4176 1 6 . 1 1 141 141 PHE H H 141 8.927 8.927 8.829 0.098 19036 4177 1 6 . 1 1 142 142 VAL N N 142 119.400 119.400 118.999 0.401 19036 4178 1 6 . 1 1 142 142 VAL HA H 142 3.152 3.152 3.546 -0.394 19036 4179 1 6 . 1 1 142 142 VAL CA C 142 67.139 67.139 65.726 1.413 19036 4180 1 6 . 1 1 142 142 VAL CB C 142 31.622 31.622 31.037 0.585 19036 4181 1 6 . 1 1 142 142 VAL H H 142 8.635 8.635 8.835 -0.200 19036 4182 1 6 . 1 1 143 143 GLN N N 143 118.420 118.420 117.510 0.910 19036 4183 1 6 . 1 1 143 143 GLN HA H 143 3.902 3.902 3.973 -0.071 19036 4184 1 6 . 1 1 143 143 GLN CA C 143 58.894 58.894 58.155 0.739 19036 4185 1 6 . 1 1 143 143 GLN CB C 143 28.186 28.186 28.468 -0.282 19036 4186 1 6 . 1 1 143 143 GLN H H 143 7.516 7.516 8.096 -0.580 19036 4187 1 6 . 1 1 144 144 MET N N 144 119.410 119.410 116.960 2.450 19036 4188 1 6 . 1 1 144 144 MET HA H 144 4.113 4.113 4.073 0.040 19036 4189 1 6 . 1 1 144 144 MET CA C 144 58.360 58.360 58.156 0.204 19036 4190 1 6 . 1 1 144 144 MET CB C 144 33.188 33.188 32.941 0.247 19036 4191 1 6 . 1 1 144 144 MET H H 144 7.867 7.867 8.121 -0.254 19036 4192 1 6 . 1 1 145 145 MET N N 145 114.770 114.770 114.629 0.141 19036 4193 1 6 . 1 1 145 145 MET HA H 145 4.263 4.263 4.233 0.030 19036 4194 1 6 . 1 1 145 145 MET CA C 145 55.607 55.607 58.026 -2.420 19036 4195 1 6 . 1 1 145 145 MET CB C 145 32.224 32.224 33.106 -0.882 19036 4196 1 6 . 1 1 145 145 MET H H 145 7.796 7.796 7.394 0.402 19036 4197 1 6 . 1 1 146 146 THR N N 146 111.500 111.500 116.661 -5.161 19036 4198 1 6 . 1 1 146 146 THR HA H 146 4.325 4.325 4.163 0.162 19036 4199 1 6 . 1 1 146 146 THR CA C 146 62.420 62.420 62.685 -0.265 19036 4200 1 6 . 1 1 146 146 THR CB C 146 70.327 70.327 66.330 3.997 19036 4201 1 6 . 1 1 146 146 THR H H 146 7.591 7.591 7.941 -0.350 19036 4202 1 6 . 1 1 147 147 ALA N N 147 127.110 127.110 124.928 2.182 19036 4203 1 6 . 1 1 147 147 ALA HA H 147 4.319 4.319 4.587 -0.268 19036 4204 1 6 . 1 1 147 147 ALA CA C 147 52.991 52.991 51.041 1.950 19036 4205 1 6 . 1 1 147 147 ALA CB C 147 19.162 19.162 20.841 -1.679 19036 4206 1 6 . 1 1 147 147 ALA H H 147 7.827 7.827 8.238 -0.411 19036 4207 1 7 . 1 1 2 2 ASP HA H 2 4.654 4.654 4.690 -0.036 19036 4208 1 7 . 1 1 2 2 ASP CA C 2 54.799 54.799 54.039 0.760 19036 4209 1 7 . 1 1 2 2 ASP CB C 2 41.496 41.496 40.286 1.210 19036 4210 1 7 . 1 1 3 3 GLN N N 3 119.900 119.900 120.119 -0.219 19036 4211 1 7 . 1 1 3 3 GLN HA H 3 4.399 4.399 4.396 0.003 19036 4212 1 7 . 1 1 3 3 GLN CA C 3 55.646 55.646 55.675 -0.029 19036 4213 1 7 . 1 1 3 3 GLN CB C 3 29.996 29.996 29.703 0.293 19036 4214 1 7 . 1 1 3 3 GLN H H 3 8.385 8.385 8.052 0.333 19036 4215 1 7 . 1 1 4 4 LEU N N 4 123.270 123.270 119.553 3.717 19036 4216 1 7 . 1 1 4 4 LEU HA H 4 4.681 4.681 4.654 0.027 19036 4217 1 7 . 1 1 4 4 LEU CA C 4 54.516 54.516 54.103 0.413 19036 4218 1 7 . 1 1 4 4 LEU CB C 4 43.666 43.666 45.440 -1.774 19036 4219 1 7 . 1 1 4 4 LEU H H 4 8.351 8.351 7.438 0.913 19036 4220 1 7 . 1 1 5 5 THR N N 5 113.150 113.150 111.639 1.511 19036 4221 1 7 . 1 1 5 5 THR HA H 5 4.479 4.479 4.647 -0.168 19036 4222 1 7 . 1 1 5 5 THR CA C 5 60.553 60.553 59.936 0.617 19036 4223 1 7 . 1 1 5 5 THR CB C 5 71.232 71.232 70.958 0.274 19036 4224 1 7 . 1 1 5 5 THR H H 5 8.764 8.764 8.064 0.700 19036 4225 1 7 . 1 1 6 6 GLU N N 6 120.490 120.490 122.567 -2.077 19036 4226 1 7 . 1 1 6 6 GLU HA H 6 3.994 3.994 4.023 -0.029 19036 4227 1 7 . 1 1 6 6 GLU CA C 6 60.091 60.091 59.468 0.623 19036 4228 1 7 . 1 1 6 6 GLU CB C 6 29.307 29.307 28.769 0.538 19036 4229 1 7 . 1 1 6 6 GLU H H 6 9.066 9.066 9.021 0.045 19036 4230 1 7 . 1 1 7 7 GLU N N 7 119.640 119.640 119.361 0.279 19036 4231 1 7 . 1 1 7 7 GLU HA H 7 4.081 4.081 4.070 0.011 19036 4232 1 7 . 1 1 7 7 GLU CA C 7 60.055 60.055 59.094 0.961 19036 4233 1 7 . 1 1 7 7 GLU CB C 7 29.194 29.194 29.235 -0.041 19036 4234 1 7 . 1 1 7 7 GLU H H 7 8.769 8.769 8.661 0.108 19036 4235 1 7 . 1 1 8 8 GLN N N 8 120.420 120.420 118.248 2.172 19036 4236 1 7 . 1 1 8 8 GLN HA H 8 3.857 3.857 4.229 -0.372 19036 4237 1 7 . 1 1 8 8 GLN CA C 8 58.691 58.691 58.115 0.576 19036 4238 1 7 . 1 1 8 8 GLN CB C 8 29.295 29.295 28.634 0.661 19036 4239 1 7 . 1 1 8 8 GLN H H 8 7.779 7.779 7.536 0.243 19036 4240 1 7 . 1 1 9 9 ILE N N 9 119.530 119.530 120.128 -0.598 19036 4241 1 7 . 1 1 9 9 ILE HA H 9 3.699 3.699 3.891 -0.192 19036 4242 1 7 . 1 1 9 9 ILE CA C 9 66.284 66.284 65.128 1.156 19036 4243 1 7 . 1 1 9 9 ILE CB C 9 37.882 37.882 37.588 0.294 19036 4244 1 7 . 1 1 9 9 ILE H H 9 8.391 8.391 7.518 0.873 19036 4245 1 7 . 1 1 10 10 ALA N N 10 121.270 121.270 121.815 -0.545 19036 4246 1 7 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.972 0.168 19036 4247 1 7 . 1 1 10 10 ALA CA C 10 55.569 55.569 55.397 0.172 19036 4248 1 7 . 1 1 10 10 ALA CB C 10 17.977 17.977 17.863 0.114 19036 4249 1 7 . 1 1 10 10 ALA H H 10 8.040 8.040 7.687 0.353 19036 4250 1 7 . 1 1 11 11 GLU N N 11 119.830 119.830 119.584 0.246 19036 4251 1 7 . 1 1 11 11 GLU HA H 11 4.159 4.159 3.957 0.202 19036 4252 1 7 . 1 1 11 11 GLU CA C 11 59.438 59.438 59.219 0.219 19036 4253 1 7 . 1 1 11 11 GLU CB C 11 29.098 29.098 29.472 -0.374 19036 4254 1 7 . 1 1 11 11 GLU H H 11 7.841 7.841 7.694 0.147 19036 4255 1 7 . 1 1 12 12 PHE N N 12 120.250 120.250 117.622 2.628 19036 4256 1 7 . 1 1 12 12 PHE HA H 12 5.033 5.033 4.724 0.309 19036 4257 1 7 . 1 1 12 12 PHE CA C 12 59.113 59.113 59.293 -0.180 19036 4258 1 7 . 1 1 12 12 PHE CB C 12 37.727 37.727 39.045 -1.318 19036 4259 1 7 . 1 1 12 12 PHE H H 12 8.641 8.641 7.850 0.791 19036 4260 1 7 . 1 1 13 13 LYS N N 13 123.680 123.680 121.574 2.106 19036 4261 1 7 . 1 1 13 13 LYS HA H 13 4.038 4.038 4.003 0.035 19036 4262 1 7 . 1 1 13 13 LYS CA C 13 60.228 60.228 60.537 -0.309 19036 4263 1 7 . 1 1 13 13 LYS CB C 13 32.020 32.020 32.186 -0.166 19036 4264 1 7 . 1 1 13 13 LYS H H 13 9.273 9.273 8.868 0.405 19036 4265 1 7 . 1 1 14 14 GLU N N 14 120.480 120.480 119.152 1.328 19036 4266 1 7 . 1 1 14 14 GLU HA H 14 4.150 4.150 4.063 0.087 19036 4267 1 7 . 1 1 14 14 GLU CA C 14 59.283 59.283 59.393 -0.110 19036 4268 1 7 . 1 1 14 14 GLU CB C 14 29.163 29.163 29.656 -0.493 19036 4269 1 7 . 1 1 14 14 GLU H H 14 7.873 7.873 7.854 0.019 19036 4270 1 7 . 1 1 15 15 ALA N N 15 122.590 122.590 121.890 0.700 19036 4271 1 7 . 1 1 15 15 ALA HA H 15 4.285 4.285 4.194 0.091 19036 4272 1 7 . 1 1 15 15 ALA CA C 15 55.370 55.370 54.819 0.551 19036 4273 1 7 . 1 1 15 15 ALA CB C 15 18.190 18.190 18.778 -0.588 19036 4274 1 7 . 1 1 15 15 ALA H H 15 8.045 8.045 7.511 0.534 19036 4275 1 7 . 1 1 16 16 PHE N N 16 119.110 119.110 119.720 -0.610 19036 4276 1 7 . 1 1 16 16 PHE HA H 16 3.314 3.314 4.038 -0.724 19036 4277 1 7 . 1 1 16 16 PHE CA C 16 62.091 62.091 60.702 1.389 19036 4278 1 7 . 1 1 16 16 PHE CB C 16 39.813 39.813 39.443 0.370 19036 4279 1 7 . 1 1 16 16 PHE H H 16 8.804 8.804 8.827 -0.023 19036 4280 1 7 . 1 1 17 17 SER N N 17 113.200 113.200 113.795 -0.595 19036 4281 1 7 . 1 1 17 17 SER HA H 17 4.139 4.139 4.011 0.128 19036 4282 1 7 . 1 1 17 17 SER CA C 17 61.542 61.542 61.060 0.482 19036 4283 1 7 . 1 1 17 17 SER CB C 17 63.424 63.424 63.168 0.256 19036 4284 1 7 . 1 1 17 17 SER H H 17 8.083 8.083 8.087 -0.004 19036 4285 1 7 . 1 1 18 18 LEU N N 18 120.840 120.840 121.015 -0.175 19036 4286 1 7 . 1 1 18 18 LEU HA H 18 3.981 3.981 3.965 0.016 19036 4287 1 7 . 1 1 18 18 LEU CA C 18 57.258 57.258 57.440 -0.182 19036 4288 1 7 . 1 1 18 18 LEU CB C 18 41.565 41.565 42.164 -0.599 19036 4289 1 7 . 1 1 18 18 LEU H H 18 7.436 7.436 7.286 0.150 19036 4290 1 7 . 1 1 19 19 PHE N N 19 114.020 114.020 115.544 -1.524 19036 4291 1 7 . 1 1 19 19 PHE HA H 19 4.237 4.237 4.104 0.133 19036 4292 1 7 . 1 1 19 19 PHE CA C 19 59.258 59.258 60.507 -1.249 19036 4293 1 7 . 1 1 19 19 PHE CB C 19 41.732 41.732 38.959 2.773 19036 4294 1 7 . 1 1 19 19 PHE H H 19 7.180 7.180 7.522 -0.342 19036 4295 1 7 . 1 1 20 20 ASP N N 20 117.440 117.440 118.293 -0.853 19036 4296 1 7 . 1 1 20 20 ASP HA H 20 4.579 4.579 4.548 0.031 19036 4297 1 7 . 1 1 20 20 ASP CA C 20 52.295 52.295 52.779 -0.484 19036 4298 1 7 . 1 1 20 20 ASP CB C 20 39.167 39.167 39.430 -0.263 19036 4299 1 7 . 1 1 20 20 ASP H H 20 7.844 7.844 7.440 0.404 19036 4300 1 7 . 1 1 21 21 LYS N N 21 124.410 124.410 124.582 -0.172 19036 4301 1 7 . 1 1 21 21 LYS HA H 21 3.990 3.990 3.982 0.008 19036 4302 1 7 . 1 1 21 21 LYS CA C 21 58.379 58.379 58.522 -0.143 19036 4303 1 7 . 1 1 21 21 LYS CB C 21 32.623 32.623 32.258 0.365 19036 4304 1 7 . 1 1 21 21 LYS H H 21 7.728 7.728 7.935 -0.207 19036 4305 1 7 . 1 1 22 22 ASP N N 22 114.060 114.060 117.345 -3.285 19036 4306 1 7 . 1 1 22 22 ASP HA H 22 4.625 4.625 4.477 0.148 19036 4307 1 7 . 1 1 22 22 ASP CA C 22 52.921 52.921 55.591 -2.670 19036 4308 1 7 . 1 1 22 22 ASP CB C 22 39.728 39.728 40.931 -1.203 19036 4309 1 7 . 1 1 22 22 ASP H H 22 8.095 8.095 8.985 -0.890 19036 4310 1 7 . 1 1 23 23 GLY N N 23 109.390 109.390 107.694 1.696 19036 4311 1 7 . 1 1 23 23 GLY CA C 23 47.250 47.250 46.008 1.242 19036 4312 1 7 . 1 1 23 23 GLY H H 23 7.717 7.717 7.821 -0.104 19036 4313 1 7 . 1 1 24 24 ASP N N 24 120.860 120.860 119.678 1.182 19036 4314 1 7 . 1 1 24 24 ASP HA H 24 4.564 4.564 4.606 -0.042 19036 4315 1 7 . 1 1 24 24 ASP CA C 24 53.918 53.918 52.620 1.298 19036 4316 1 7 . 1 1 24 24 ASP CB C 24 40.569 40.569 40.072 0.498 19036 4317 1 7 . 1 1 24 24 ASP H H 24 8.472 8.472 8.154 0.318 19036 4318 1 7 . 1 1 25 25 GLY N N 25 113.090 113.090 109.195 3.895 19036 4319 1 7 . 1 1 25 25 GLY CA C 25 45.542 45.542 45.996 -0.454 19036 4320 1 7 . 1 1 25 25 GLY H H 25 10.619 10.619 8.347 2.272 19036 4321 1 7 . 1 1 26 26 THR N N 26 112.600 112.600 111.265 1.335 19036 4322 1 7 . 1 1 26 26 THR HA H 26 5.391 5.391 5.235 0.156 19036 4323 1 7 . 1 1 26 26 THR CA C 26 59.883 59.883 59.840 0.042 19036 4324 1 7 . 1 1 26 26 THR CB C 26 72.786 72.786 72.138 0.648 19036 4325 1 7 . 1 1 26 26 THR H H 26 8.211 8.211 8.655 -0.444 19036 4326 1 7 . 1 1 27 27 ILE N N 27 126.830 126.830 123.720 3.110 19036 4327 1 7 . 1 1 27 27 ILE HA H 27 4.895 4.895 4.544 0.351 19036 4328 1 7 . 1 1 27 27 ILE CA C 27 60.856 60.856 60.289 0.566 19036 4329 1 7 . 1 1 27 27 ILE CB C 27 39.926 39.926 39.758 0.168 19036 4330 1 7 . 1 1 27 27 ILE H H 27 9.876 9.876 8.344 1.532 19036 4331 1 7 . 1 1 28 28 THR N N 28 116.500 116.500 116.886 -0.386 19036 4332 1 7 . 1 1 28 28 THR HA H 28 4.811 4.811 4.998 -0.187 19036 4333 1 7 . 1 1 28 28 THR CA C 28 59.216 59.216 59.669 -0.453 19036 4334 1 7 . 1 1 28 28 THR CB C 28 72.541 72.541 71.791 0.750 19036 4335 1 7 . 1 1 28 28 THR H H 28 8.439 8.439 9.263 -0.824 19036 4336 1 7 . 1 1 29 29 THR N N 29 112.850 112.850 114.533 -1.683 19036 4337 1 7 . 1 1 29 29 THR HA H 29 3.807 3.807 3.883 -0.076 19036 4338 1 7 . 1 1 29 29 THR CA C 29 66.516 66.516 66.531 -0.015 19036 4339 1 7 . 1 1 29 29 THR CB C 29 68.018 68.018 68.503 -0.485 19036 4340 1 7 . 1 1 29 29 THR H H 29 9.238 9.238 9.022 0.216 19036 4341 1 7 . 1 1 30 30 LYS N N 30 121.130 121.130 122.654 -1.524 19036 4342 1 7 . 1 1 30 30 LYS HA H 30 4.170 4.170 3.988 0.182 19036 4343 1 7 . 1 1 30 30 LYS CA C 30 59.377 59.377 59.481 -0.104 19036 4344 1 7 . 1 1 30 30 LYS CB C 30 32.823 32.823 32.129 0.694 19036 4345 1 7 . 1 1 30 30 LYS H H 30 7.688 7.688 8.261 -0.573 19036 4346 1 7 . 1 1 31 31 GLU N N 31 121.920 121.920 119.682 2.238 19036 4347 1 7 . 1 1 31 31 GLU HA H 31 4.062 4.062 4.031 0.031 19036 4348 1 7 . 1 1 31 31 GLU CA C 31 59.579 59.579 59.378 0.201 19036 4349 1 7 . 1 1 31 31 GLU CB C 31 29.837 29.837 29.672 0.165 19036 4350 1 7 . 1 1 31 31 GLU H H 31 7.783 7.783 7.536 0.247 19036 4351 1 7 . 1 1 32 32 LEU N N 32 120.570 120.570 121.024 -0.454 19036 4352 1 7 . 1 1 32 32 LEU HA H 32 4.145 4.145 4.080 0.065 19036 4353 1 7 . 1 1 32 32 LEU CA C 32 58.321 58.321 58.088 0.233 19036 4354 1 7 . 1 1 32 32 LEU CB C 32 42.697 42.697 42.107 0.590 19036 4355 1 7 . 1 1 32 32 LEU H H 32 8.705 8.705 8.101 0.604 19036 4356 1 7 . 1 1 33 33 GLY N N 33 105.720 105.720 105.870 -0.150 19036 4357 1 7 . 1 1 33 33 GLY H H 33 8.753 8.753 8.280 0.473 19036 4358 1 7 . 1 1 34 34 THR N N 34 118.370 118.370 118.770 -0.400 19036 4359 1 7 . 1 1 34 34 THR HA H 34 3.961 3.961 4.031 -0.070 19036 4360 1 7 . 1 1 34 34 THR CA C 34 67.097 67.097 66.423 0.674 19036 4361 1 7 . 1 1 34 34 THR CB C 34 68.869 68.869 68.380 0.489 19036 4362 1 7 . 1 1 34 34 THR H H 34 8.071 8.071 7.955 0.116 19036 4363 1 7 . 1 1 35 35 VAL N N 35 122.170 122.170 122.418 -0.248 19036 4364 1 7 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.890 -0.281 19036 4365 1 7 . 1 1 35 35 VAL CA C 35 66.538 66.538 64.921 1.617 19036 4366 1 7 . 1 1 35 35 VAL CB C 35 31.589 31.589 31.342 0.247 19036 4367 1 7 . 1 1 35 35 VAL H H 35 7.738 7.738 7.653 0.085 19036 4368 1 7 . 1 1 36 36 MET N N 36 118.620 118.620 118.937 -0.317 19036 4369 1 7 . 1 1 36 36 MET HA H 36 4.043 4.043 4.157 -0.114 19036 4370 1 7 . 1 1 36 36 MET CA C 36 59.594 59.594 58.683 0.911 19036 4371 1 7 . 1 1 36 36 MET CB C 36 31.850 31.850 32.421 -0.571 19036 4372 1 7 . 1 1 36 36 MET H H 36 8.559 8.559 8.678 -0.119 19036 4373 1 7 . 1 1 37 37 ARG N N 37 118.920 118.920 119.547 -0.627 19036 4374 1 7 . 1 1 37 37 ARG HA H 37 4.798 4.798 4.171 0.627 19036 4375 1 7 . 1 1 37 37 ARG CA C 37 59.518 59.518 59.703 -0.185 19036 4376 1 7 . 1 1 37 37 ARG CB C 37 30.189 30.189 30.009 0.180 19036 4377 1 7 . 1 1 37 37 ARG H H 37 8.638 8.638 8.754 -0.116 19036 4378 1 7 . 1 1 38 38 SER N N 38 119.000 119.000 115.540 3.460 19036 4379 1 7 . 1 1 38 38 SER HA H 38 4.420 4.420 4.186 0.234 19036 4380 1 7 . 1 1 38 38 SER CA C 38 61.682 61.682 61.206 0.476 19036 4381 1 7 . 1 1 38 38 SER CB C 38 62.890 62.890 62.808 0.082 19036 4382 1 7 . 1 1 38 38 SER H H 38 7.994 7.994 7.550 0.444 19036 4383 1 7 . 1 1 39 39 LEU N N 39 120.790 120.790 122.077 -1.287 19036 4384 1 7 . 1 1 39 39 LEU HA H 39 4.498 4.498 4.277 0.221 19036 4385 1 7 . 1 1 39 39 LEU CA C 39 54.405 54.405 54.725 -0.320 19036 4386 1 7 . 1 1 39 39 LEU CB C 39 41.979 41.979 41.952 0.027 19036 4387 1 7 . 1 1 39 39 LEU H H 39 7.426 7.426 7.388 0.038 19036 4388 1 7 . 1 1 40 40 GLY N N 40 106.830 106.830 108.014 -1.184 19036 4389 1 7 . 1 1 40 40 GLY CA C 40 45.713 45.713 45.164 0.549 19036 4390 1 7 . 1 1 40 40 GLY H H 40 7.896 7.896 7.802 0.094 19036 4391 1 7 . 1 1 41 41 GLN N N 41 118.330 118.330 119.557 -1.227 19036 4392 1 7 . 1 1 41 41 GLN HA H 41 4.503 4.503 4.563 -0.060 19036 4393 1 7 . 1 1 41 41 GLN CA C 41 54.585 54.585 54.044 0.541 19036 4394 1 7 . 1 1 41 41 GLN CB C 41 30.591 30.591 32.114 -1.524 19036 4395 1 7 . 1 1 41 41 GLN H H 41 7.865 7.865 7.736 0.129 19036 4396 1 7 . 1 1 42 42 ASN N N 42 116.490 116.490 118.146 -1.656 19036 4397 1 7 . 1 1 42 42 ASN HA H 42 5.214 5.214 4.999 0.215 19036 4398 1 7 . 1 1 42 42 ASN CA C 42 51.351 51.351 51.549 -0.198 19036 4399 1 7 . 1 1 42 42 ASN CB C 42 39.402 39.402 38.167 1.235 19036 4400 1 7 . 1 1 42 42 ASN H H 42 8.771 8.771 8.515 0.256 19036 4401 1 7 . 1 1 43 43 PRO HA H 43 4.779 4.779 4.646 0.133 19036 4402 1 7 . 1 1 43 43 PRO CA C 43 62.475 62.475 62.822 -0.347 19036 4403 1 7 . 1 1 43 43 PRO CB C 43 32.084 32.084 33.402 -1.318 19036 4404 1 7 . 1 1 44 44 THR N N 44 113.050 113.050 113.386 -0.336 19036 4405 1 7 . 1 1 44 44 THR HA H 44 4.487 4.487 4.577 -0.090 19036 4406 1 7 . 1 1 44 44 THR CA C 44 60.565 60.565 60.645 -0.080 19036 4407 1 7 . 1 1 44 44 THR CB C 44 71.260 71.260 71.745 -0.485 19036 4408 1 7 . 1 1 44 44 THR H H 44 8.808 8.808 8.316 0.492 19036 4409 1 7 . 1 1 45 45 GLU N N 45 120.700 120.700 123.256 -2.556 19036 4410 1 7 . 1 1 45 45 GLU HA H 45 4.001 4.001 4.040 -0.039 19036 4411 1 7 . 1 1 45 45 GLU CA C 45 60.082 60.082 60.131 -0.049 19036 4412 1 7 . 1 1 45 45 GLU CB C 45 29.129 29.129 29.024 0.105 19036 4413 1 7 . 1 1 45 45 GLU H H 45 8.842 8.842 9.071 -0.229 19036 4414 1 7 . 1 1 46 46 ALA N N 46 120.880 120.880 121.304 -0.424 19036 4415 1 7 . 1 1 46 46 ALA HA H 46 4.125 4.125 4.164 -0.039 19036 4416 1 7 . 1 1 46 46 ALA CA C 46 55.125 55.125 54.867 0.258 19036 4417 1 7 . 1 1 46 46 ALA CB C 46 18.342 18.342 18.098 0.244 19036 4418 1 7 . 1 1 46 46 ALA H H 46 8.305 8.305 8.348 -0.043 19036 4419 1 7 . 1 1 47 47 GLU N N 47 118.780 118.780 119.877 -1.097 19036 4420 1 7 . 1 1 47 47 GLU HA H 47 4.040 4.040 4.027 0.013 19036 4421 1 7 . 1 1 47 47 GLU CA C 47 59.144 59.144 59.135 0.010 19036 4422 1 7 . 1 1 47 47 GLU CB C 47 29.886 29.886 29.627 0.259 19036 4423 1 7 . 1 1 47 47 GLU H H 47 7.736 7.736 7.574 0.162 19036 4424 1 7 . 1 1 48 48 LEU N N 48 120.120 120.120 119.874 0.246 19036 4425 1 7 . 1 1 48 48 LEU HA H 48 4.079 4.079 3.912 0.167 19036 4426 1 7 . 1 1 48 48 LEU CA C 48 57.955 57.955 57.890 0.065 19036 4427 1 7 . 1 1 48 48 LEU CB C 48 42.516 42.516 41.782 0.734 19036 4428 1 7 . 1 1 48 48 LEU H H 48 8.169 8.169 7.930 0.239 19036 4429 1 7 . 1 1 49 49 GLN N N 49 118.390 118.390 119.060 -0.670 19036 4430 1 7 . 1 1 49 49 GLN HA H 49 3.849 3.849 3.939 -0.090 19036 4431 1 7 . 1 1 49 49 GLN CA C 49 58.676 58.676 58.984 -0.308 19036 4432 1 7 . 1 1 49 49 GLN CB C 49 28.341 28.341 28.070 0.271 19036 4433 1 7 . 1 1 49 49 GLN H H 49 8.235 8.235 8.121 0.114 19036 4434 1 7 . 1 1 50 50 ASP N N 50 120.090 120.090 120.689 -0.599 19036 4435 1 7 . 1 1 50 50 ASP HA H 50 4.439 4.439 4.388 0.051 19036 4436 1 7 . 1 1 50 50 ASP CA C 50 57.643 57.643 56.873 0.770 19036 4437 1 7 . 1 1 50 50 ASP CB C 50 40.366 40.366 40.685 -0.319 19036 4438 1 7 . 1 1 50 50 ASP H H 50 8.164 8.164 7.775 0.389 19036 4439 1 7 . 1 1 51 51 MET N N 51 119.330 119.330 118.773 0.557 19036 4440 1 7 . 1 1 51 51 MET HA H 51 4.021 4.021 3.954 0.067 19036 4441 1 7 . 1 1 51 51 MET CA C 51 59.332 59.332 59.747 -0.415 19036 4442 1 7 . 1 1 51 51 MET CB C 51 33.713 33.713 32.838 0.875 19036 4443 1 7 . 1 1 51 51 MET H H 51 7.909 7.909 7.500 0.409 19036 4444 1 7 . 1 1 52 52 ILE N N 52 118.080 118.080 118.612 -0.532 19036 4445 1 7 . 1 1 52 52 ILE HA H 52 3.581 3.581 3.635 -0.054 19036 4446 1 7 . 1 1 52 52 ILE CA C 52 64.476 64.476 64.954 -0.478 19036 4447 1 7 . 1 1 52 52 ILE CB C 52 37.177 37.177 37.010 0.167 19036 4448 1 7 . 1 1 52 52 ILE H H 52 7.767 7.767 7.967 -0.200 19036 4449 1 7 . 1 1 53 53 ASN N N 53 117.980 117.980 118.159 -0.179 19036 4450 1 7 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.505 -0.088 19036 4451 1 7 . 1 1 53 53 ASN CA C 53 55.988 55.988 55.805 0.183 19036 4452 1 7 . 1 1 53 53 ASN CB C 53 38.211 38.211 37.828 0.383 19036 4453 1 7 . 1 1 53 53 ASN H H 53 8.669 8.669 8.307 0.362 19036 4454 1 7 . 1 1 54 54 GLU N N 54 116.350 116.350 118.768 -2.418 19036 4455 1 7 . 1 1 54 54 GLU HA H 54 4.066 4.066 4.121 -0.055 19036 4456 1 7 . 1 1 54 54 GLU CA C 54 58.930 58.930 58.590 0.340 19036 4457 1 7 . 1 1 54 54 GLU CB C 54 30.404 30.404 30.027 0.377 19036 4458 1 7 . 1 1 54 54 GLU H H 54 7.566 7.566 7.769 -0.203 19036 4459 1 7 . 1 1 55 55 VAL N N 55 110.520 110.520 116.114 -5.594 19036 4460 1 7 . 1 1 55 55 VAL HA H 55 4.366 4.366 4.278 0.088 19036 4461 1 7 . 1 1 55 55 VAL CA C 55 61.089 61.089 60.688 0.402 19036 4462 1 7 . 1 1 55 55 VAL CB C 55 33.088 33.088 32.225 0.863 19036 4463 1 7 . 1 1 55 55 VAL H H 55 7.242 7.242 7.475 -0.233 19036 4464 1 7 . 1 1 56 56 ASP N N 56 121.390 121.390 122.188 -0.798 19036 4465 1 7 . 1 1 56 56 ASP HA H 56 4.582 4.582 4.710 -0.128 19036 4466 1 7 . 1 1 56 56 ASP CA C 56 53.916 53.916 53.543 0.373 19036 4467 1 7 . 1 1 56 56 ASP CB C 56 40.588 40.588 40.575 0.013 19036 4468 1 7 . 1 1 56 56 ASP H H 56 7.749 7.749 7.622 0.127 19036 4469 1 7 . 1 1 57 57 ALA N N 57 131.640 131.640 129.160 2.480 19036 4470 1 7 . 1 1 57 57 ALA HA H 57 4.247 4.247 4.328 -0.081 19036 4471 1 7 . 1 1 57 57 ALA CA C 57 54.341 54.341 53.542 0.799 19036 4472 1 7 . 1 1 57 57 ALA CB C 57 19.800 19.800 19.918 -0.117 19036 4473 1 7 . 1 1 57 57 ALA H H 57 8.323 8.323 8.384 -0.061 19036 4474 1 7 . 1 1 58 58 ASP N N 58 114.000 114.000 116.333 -2.333 19036 4475 1 7 . 1 1 58 58 ASP HA H 58 4.682 4.682 4.629 0.053 19036 4476 1 7 . 1 1 58 58 ASP CA C 58 52.705 52.705 53.152 -0.447 19036 4477 1 7 . 1 1 58 58 ASP CB C 58 39.931 39.931 40.608 -0.677 19036 4478 1 7 . 1 1 58 58 ASP H H 58 8.240 8.240 7.960 0.280 19036 4479 1 7 . 1 1 59 59 GLY N N 59 108.660 108.660 108.668 -0.008 19036 4480 1 7 . 1 1 59 59 GLY CA C 59 47.306 47.306 46.085 1.221 19036 4481 1 7 . 1 1 59 59 GLY H H 59 7.635 7.635 8.648 -1.013 19036 4482 1 7 . 1 1 60 60 ASN N N 60 118.730 118.730 119.345 -0.615 19036 4483 1 7 . 1 1 60 60 ASN HA H 60 4.658 4.658 4.717 -0.059 19036 4484 1 7 . 1 1 60 60 ASN CA C 60 52.805 52.805 51.982 0.823 19036 4485 1 7 . 1 1 60 60 ASN CB C 60 37.716 37.716 38.670 -0.954 19036 4486 1 7 . 1 1 60 60 ASN H H 60 8.184 8.184 8.985 -0.801 19036 4487 1 7 . 1 1 61 61 GLY N N 61 113.430 113.430 109.594 3.836 19036 4488 1 7 . 1 1 61 61 GLY CA C 61 45.753 45.753 46.150 -0.397 19036 4489 1 7 . 1 1 61 61 GLY H H 61 10.605 10.605 8.750 1.855 19036 4490 1 7 . 1 1 62 62 THR N N 62 108.750 108.750 109.832 -1.082 19036 4491 1 7 . 1 1 62 62 THR HA H 62 4.874 4.874 4.895 -0.021 19036 4492 1 7 . 1 1 62 62 THR CA C 62 59.541 59.541 59.685 -0.144 19036 4493 1 7 . 1 1 62 62 THR CB C 62 72.168 72.168 72.351 -0.183 19036 4494 1 7 . 1 1 62 62 THR H H 62 7.699 7.699 8.249 -0.550 19036 4495 1 7 . 1 1 63 63 ILE N N 63 123.510 123.510 122.874 0.636 19036 4496 1 7 . 1 1 63 63 ILE HA H 63 5.160 5.160 4.686 0.474 19036 4497 1 7 . 1 1 63 63 ILE CA C 63 59.959 59.959 60.547 -0.588 19036 4498 1 7 . 1 1 63 63 ILE CB C 63 39.836 39.836 39.620 0.216 19036 4499 1 7 . 1 1 63 63 ILE H H 63 8.823 8.823 8.088 0.735 19036 4500 1 7 . 1 1 64 64 ASP N N 64 128.370 128.370 127.761 0.609 19036 4501 1 7 . 1 1 64 64 ASP HA H 64 5.463 5.463 5.157 0.306 19036 4502 1 7 . 1 1 64 64 ASP CA C 64 52.257 52.257 52.968 -0.711 19036 4503 1 7 . 1 1 64 64 ASP CB C 64 42.416 42.416 42.215 0.201 19036 4504 1 7 . 1 1 64 64 ASP H H 64 8.946 8.946 9.409 -0.463 19036 4505 1 7 . 1 1 65 65 PHE N N 65 118.870 118.870 124.132 -5.262 19036 4506 1 7 . 1 1 65 65 PHE HA H 65 4.028 4.028 3.787 0.241 19036 4507 1 7 . 1 1 65 65 PHE CA C 65 63.404 63.404 62.773 0.631 19036 4508 1 7 . 1 1 65 65 PHE CB C 65 36.123 36.123 36.755 -0.632 19036 4509 1 7 . 1 1 65 65 PHE H H 65 9.000 9.000 8.572 0.428 19036 4510 1 7 . 1 1 66 66 PRO HA H 66 3.918 3.918 3.645 0.273 19036 4511 1 7 . 1 1 66 66 PRO CA C 66 66.799 66.799 65.985 0.814 19036 4512 1 7 . 1 1 66 66 PRO CB C 66 30.789 30.789 30.757 0.032 19036 4513 1 7 . 1 1 67 67 GLU N N 67 117.930 117.930 119.134 -1.204 19036 4514 1 7 . 1 1 67 67 GLU HA H 67 4.088 4.088 3.954 0.134 19036 4515 1 7 . 1 1 67 67 GLU CA C 67 58.965 58.965 59.319 -0.354 19036 4516 1 7 . 1 1 67 67 GLU CB C 67 29.677 29.677 29.171 0.506 19036 4517 1 7 . 1 1 67 67 GLU H H 67 8.185 8.185 7.623 0.562 19036 4518 1 7 . 1 1 68 68 PHE N N 68 123.830 123.830 121.409 2.421 19036 4519 1 7 . 1 1 68 68 PHE HA H 68 3.957 3.957 4.152 -0.195 19036 4520 1 7 . 1 1 68 68 PHE CA C 68 61.439 61.439 60.850 0.589 19036 4521 1 7 . 1 1 68 68 PHE CB C 68 40.429 40.429 39.149 1.280 19036 4522 1 7 . 1 1 68 68 PHE H H 68 8.794 8.794 8.264 0.530 19036 4523 1 7 . 1 1 69 69 LEU N N 69 119.410 119.410 119.206 0.204 19036 4524 1 7 . 1 1 69 69 LEU HA H 69 3.394 3.394 3.386 0.008 19036 4525 1 7 . 1 1 69 69 LEU CA C 69 58.042 58.042 57.873 0.169 19036 4526 1 7 . 1 1 69 69 LEU CB C 69 41.246 41.246 41.017 0.229 19036 4527 1 7 . 1 1 69 69 LEU H H 69 8.662 8.662 8.287 0.376 19036 4528 1 7 . 1 1 70 70 THR N N 70 115.700 115.700 115.452 0.248 19036 4529 1 7 . 1 1 70 70 THR HA H 70 3.783 3.783 3.751 0.032 19036 4530 1 7 . 1 1 70 70 THR CA C 70 66.623 66.623 67.166 -0.543 19036 4531 1 7 . 1 1 70 70 THR CB C 70 68.592 68.592 68.404 0.188 19036 4532 1 7 . 1 1 70 70 THR H H 70 7.744 7.744 7.661 0.083 19036 4533 1 7 . 1 1 71 71 MET N N 71 121.350 121.350 122.158 -0.808 19036 4534 1 7 . 1 1 71 71 MET HA H 71 3.889 3.889 3.828 0.061 19036 4535 1 7 . 1 1 71 71 MET CA C 71 58.859 58.859 59.590 -0.730 19036 4536 1 7 . 1 1 71 71 MET CB C 71 32.676 32.676 32.418 0.258 19036 4537 1 7 . 1 1 71 71 MET H H 71 7.622 7.622 7.448 0.174 19036 4538 1 7 . 1 1 72 72 MET N N 72 117.390 117.390 116.786 0.604 19036 4539 1 7 . 1 1 72 72 MET HA H 72 3.973 3.973 3.841 0.132 19036 4540 1 7 . 1 1 72 72 MET CA C 72 56.030 56.030 57.259 -1.229 19036 4541 1 7 . 1 1 72 72 MET CB C 72 30.934 30.934 30.789 0.145 19036 4542 1 7 . 1 1 72 72 MET H H 72 8.066 8.066 7.525 0.541 19036 4543 1 7 . 1 1 73 73 ALA N N 73 121.670 121.670 120.711 0.959 19036 4544 1 7 . 1 1 73 73 ALA HA H 73 4.103 4.103 4.016 0.087 19036 4545 1 7 . 1 1 73 73 ALA CA C 73 54.517 54.517 54.452 0.065 19036 4546 1 7 . 1 1 73 73 ALA CB C 73 18.381 18.381 18.268 0.113 19036 4547 1 7 . 1 1 73 73 ALA H H 73 8.276 8.276 7.647 0.629 19036 4548 1 7 . 1 1 74 74 ARG N N 74 117.220 117.220 119.579 -2.359 19036 4549 1 7 . 1 1 74 74 ARG HA H 74 4.113 4.113 3.902 0.210 19036 4550 1 7 . 1 1 74 74 ARG CA C 74 58.327 58.327 59.328 -1.001 19036 4551 1 7 . 1 1 74 74 ARG CB C 74 30.378 30.378 30.155 0.223 19036 4552 1 7 . 1 1 74 74 ARG H H 74 7.539 7.539 8.152 -0.613 19036 4553 1 7 . 1 1 75 75 LYS N N 75 119.120 119.120 118.762 0.358 19036 4554 1 7 . 1 1 75 75 LYS HA H 75 4.261 4.261 3.996 0.265 19036 4555 1 7 . 1 1 75 75 LYS CA C 75 56.990 56.990 59.317 -2.327 19036 4556 1 7 . 1 1 75 75 LYS CB C 75 32.412 32.412 32.066 0.346 19036 4557 1 7 . 1 1 75 75 LYS H H 75 7.833 7.833 7.769 0.064 19036 4558 1 7 . 1 1 76 76 MET N N 76 118.860 118.860 118.028 0.832 19036 4559 1 7 . 1 1 76 76 MET HA H 76 4.370 4.370 4.274 0.096 19036 4560 1 7 . 1 1 76 76 MET CA C 76 56.700 56.700 58.346 -1.645 19036 4561 1 7 . 1 1 76 76 MET CB C 76 32.981 32.981 32.709 0.272 19036 4562 1 7 . 1 1 76 76 MET H H 76 8.000 8.000 7.490 0.510 19036 4563 1 7 . 1 1 77 77 LYS N N 77 120.200 120.200 114.912 5.288 19036 4564 1 7 . 1 1 77 77 LYS HA H 77 4.352 4.352 4.510 -0.158 19036 4565 1 7 . 1 1 77 77 LYS CA C 77 56.709 56.709 55.557 1.152 19036 4566 1 7 . 1 1 77 77 LYS CB C 77 33.138 33.138 32.970 0.168 19036 4567 1 7 . 1 1 77 77 LYS H H 77 7.866 7.866 7.571 0.295 19036 4568 1 7 . 1 1 78 78 ASP N N 78 121.430 121.430 119.082 2.348 19036 4569 1 7 . 1 1 78 78 ASP HA H 78 4.691 4.691 4.803 -0.112 19036 4570 1 7 . 1 1 78 78 ASP CA C 78 54.771 54.771 53.513 1.258 19036 4571 1 7 . 1 1 78 78 ASP CB C 78 41.222 41.222 43.263 -2.041 19036 4572 1 7 . 1 1 78 78 ASP H H 78 8.250 8.250 7.484 0.766 19036 4573 1 7 . 1 1 79 79 THR N N 79 114.390 114.390 110.997 3.393 19036 4574 1 7 . 1 1 79 79 THR HA H 79 4.337 4.337 4.610 -0.273 19036 4575 1 7 . 1 1 79 79 THR CA C 79 62.349 62.349 61.494 0.855 19036 4576 1 7 . 1 1 79 79 THR CB C 79 69.875 69.875 69.180 0.695 19036 4577 1 7 . 1 1 79 79 THR H H 79 8.093 8.093 8.266 -0.173 19036 4578 1 7 . 1 1 80 80 ASP N N 80 123.460 123.460 121.385 2.075 19036 4579 1 7 . 1 1 80 80 ASP HA H 80 4.721 4.721 4.374 0.347 19036 4580 1 7 . 1 1 80 80 ASP CA C 80 54.655 54.655 55.411 -0.756 19036 4581 1 7 . 1 1 80 80 ASP CB C 80 41.416 41.416 40.186 1.230 19036 4582 1 7 . 1 1 80 80 ASP H H 80 8.455 8.455 8.752 -0.297 19036 4583 1 7 . 1 1 81 81 SER N N 81 117.440 117.440 111.944 5.496 19036 4584 1 7 . 1 1 81 81 SER HA H 81 4.455 4.455 4.571 -0.116 19036 4585 1 7 . 1 1 81 81 SER CA C 81 59.571 59.571 58.983 0.588 19036 4586 1 7 . 1 1 81 81 SER CB C 81 63.825 63.825 62.894 0.931 19036 4587 1 7 . 1 1 81 81 SER H H 81 8.505 8.505 8.016 0.489 19036 4588 1 7 . 1 1 82 82 GLU N N 82 122.380 122.380 123.091 -0.711 19036 4589 1 7 . 1 1 82 82 GLU HA H 82 4.185 4.185 3.922 0.263 19036 4590 1 7 . 1 1 82 82 GLU CA C 82 58.800 58.800 59.924 -1.124 19036 4591 1 7 . 1 1 82 82 GLU CB C 82 29.660 29.660 29.482 0.178 19036 4592 1 7 . 1 1 82 82 GLU H H 82 8.508 8.508 7.851 0.657 19036 4593 1 7 . 1 1 83 83 GLU N N 83 119.670 119.670 118.130 1.540 19036 4594 1 7 . 1 1 83 83 GLU HA H 83 4.085 4.085 4.045 0.040 19036 4595 1 7 . 1 1 83 83 GLU CA C 83 59.576 59.576 59.244 0.332 19036 4596 1 7 . 1 1 83 83 GLU CB C 83 29.410 29.410 29.493 -0.083 19036 4597 1 7 . 1 1 83 83 GLU H H 83 8.297 8.297 8.020 0.277 19036 4598 1 7 . 1 1 84 84 GLU N N 84 118.700 118.700 119.118 -0.418 19036 4599 1 7 . 1 1 84 84 GLU HA H 84 4.135 4.135 4.199 -0.063 19036 4600 1 7 . 1 1 84 84 GLU CA C 84 59.523 59.523 59.220 0.303 19036 4601 1 7 . 1 1 84 84 GLU CB C 84 29.607 29.607 29.248 0.359 19036 4602 1 7 . 1 1 84 84 GLU H H 84 8.218 8.218 8.202 0.016 19036 4603 1 7 . 1 1 85 85 ILE N N 85 121.500 121.500 120.686 0.814 19036 4604 1 7 . 1 1 85 85 ILE HA H 85 3.981 3.981 3.748 0.233 19036 4605 1 7 . 1 1 85 85 ILE CA C 85 64.941 64.941 65.314 -0.373 19036 4606 1 7 . 1 1 85 85 ILE CB C 85 37.484 37.484 37.686 -0.202 19036 4607 1 7 . 1 1 85 85 ILE H H 85 7.980 7.980 8.371 -0.391 19036 4608 1 7 . 1 1 86 86 ARG N N 86 121.710 121.710 118.288 3.422 19036 4609 1 7 . 1 1 86 86 ARG HA H 86 4.186 4.186 4.348 -0.162 19036 4610 1 7 . 1 1 86 86 ARG CA C 86 60.202 60.202 59.581 0.621 19036 4611 1 7 . 1 1 86 86 ARG CB C 86 30.026 30.026 30.043 -0.017 19036 4612 1 7 . 1 1 86 86 ARG H H 86 8.471 8.471 7.730 0.741 19036 4613 1 7 . 1 1 87 87 GLU N N 87 118.710 118.710 120.306 -1.596 19036 4614 1 7 . 1 1 87 87 GLU HA H 87 4.179 4.179 4.174 0.005 19036 4615 1 7 . 1 1 87 87 GLU CA C 87 58.995 58.995 59.231 -0.236 19036 4616 1 7 . 1 1 87 87 GLU CB C 87 29.201 29.201 29.651 -0.450 19036 4617 1 7 . 1 1 87 87 GLU H H 87 8.211 8.211 7.570 0.641 19036 4618 1 7 . 1 1 88 88 ALA N N 88 121.910 121.910 121.880 0.030 19036 4619 1 7 . 1 1 88 88 ALA HA H 88 4.180 4.180 4.207 -0.027 19036 4620 1 7 . 1 1 88 88 ALA CA C 88 55.275 55.275 55.058 0.217 19036 4621 1 7 . 1 1 88 88 ALA CB C 88 17.936 17.936 18.287 -0.351 19036 4622 1 7 . 1 1 88 88 ALA H H 88 8.037 8.037 8.227 -0.190 19036 4623 1 7 . 1 1 89 89 PHE N N 89 118.790 118.790 119.755 -0.965 19036 4624 1 7 . 1 1 89 89 PHE HA H 89 3.188 3.188 3.631 -0.443 19036 4625 1 7 . 1 1 89 89 PHE CA C 89 62.283 62.283 61.228 1.055 19036 4626 1 7 . 1 1 89 89 PHE CB C 89 39.238 39.238 38.987 0.251 19036 4627 1 7 . 1 1 89 89 PHE H H 89 8.623 8.623 7.883 0.740 19036 4628 1 7 . 1 1 90 90 ARG N N 90 115.890 115.890 119.037 -3.147 19036 4629 1 7 . 1 1 90 90 ARG HA H 90 3.906 3.906 4.126 -0.220 19036 4630 1 7 . 1 1 90 90 ARG CA C 90 58.950 58.950 59.708 -0.758 19036 4631 1 7 . 1 1 90 90 ARG CB C 90 30.414 30.414 30.155 0.259 19036 4632 1 7 . 1 1 90 90 ARG H H 90 7.775 7.775 7.976 -0.201 19036 4633 1 7 . 1 1 91 91 VAL N N 91 118.320 118.320 117.301 1.019 19036 4634 1 7 . 1 1 91 91 VAL HA H 91 3.515 3.515 3.766 -0.251 19036 4635 1 7 . 1 1 91 91 VAL CA C 91 65.726 65.726 65.056 0.670 19036 4636 1 7 . 1 1 91 91 VAL CB C 91 31.579 31.579 31.539 0.040 19036 4637 1 7 . 1 1 91 91 VAL H H 91 7.538 7.538 7.311 0.227 19036 4638 1 7 . 1 1 92 92 PHE N N 92 115.750 115.750 116.445 -0.695 19036 4639 1 7 . 1 1 92 92 PHE HA H 92 4.247 4.247 4.174 0.073 19036 4640 1 7 . 1 1 92 92 PHE CA C 92 60.241 60.241 60.710 -0.469 19036 4641 1 7 . 1 1 92 92 PHE CB C 92 40.951 40.951 39.231 1.720 19036 4642 1 7 . 1 1 92 92 PHE H H 92 7.381 7.381 7.759 -0.378 19036 4643 1 7 . 1 1 93 93 ASP N N 93 116.590 116.590 118.462 -1.872 19036 4644 1 7 . 1 1 93 93 ASP HA H 93 4.590 4.590 4.805 -0.215 19036 4645 1 7 . 1 1 93 93 ASP CA C 93 52.466 52.466 52.821 -0.355 19036 4646 1 7 . 1 1 93 93 ASP CB C 93 38.478 38.478 39.584 -1.107 19036 4647 1 7 . 1 1 93 93 ASP H H 93 7.900 7.900 7.889 0.011 19036 4648 1 7 . 1 1 94 94 LYS N N 94 126.160 126.160 124.990 1.170 19036 4649 1 7 . 1 1 94 94 LYS HA H 94 3.945 3.945 3.980 -0.035 19036 4650 1 7 . 1 1 94 94 LYS CA C 94 59.072 59.072 58.552 0.520 19036 4651 1 7 . 1 1 94 94 LYS CB C 94 32.589 32.589 32.719 -0.131 19036 4652 1 7 . 1 1 94 94 LYS H H 94 7.790 7.790 7.873 -0.083 19036 4653 1 7 . 1 1 95 95 ASP N N 95 114.060 114.060 116.311 -2.251 19036 4654 1 7 . 1 1 95 95 ASP HA H 95 4.579 4.579 4.497 0.082 19036 4655 1 7 . 1 1 95 95 ASP CA C 95 53.120 53.120 54.871 -1.751 19036 4656 1 7 . 1 1 95 95 ASP CB C 95 40.043 40.043 40.685 -0.642 19036 4657 1 7 . 1 1 95 95 ASP H H 95 8.237 8.237 8.927 -0.690 19036 4658 1 7 . 1 1 96 96 GLY N N 96 109.410 109.410 107.914 1.496 19036 4659 1 7 . 1 1 96 96 GLY CA C 96 47.263 47.263 45.807 1.456 19036 4660 1 7 . 1 1 96 96 GLY H H 96 7.839 7.839 8.543 -0.704 19036 4661 1 7 . 1 1 97 97 ASN N N 97 119.630 119.630 120.327 -0.697 19036 4662 1 7 . 1 1 97 97 ASN HA H 97 4.659 4.659 4.645 0.014 19036 4663 1 7 . 1 1 97 97 ASN CA C 97 52.681 52.681 52.904 -0.223 19036 4664 1 7 . 1 1 97 97 ASN CB C 97 38.311 38.311 38.752 -0.441 19036 4665 1 7 . 1 1 97 97 ASN H H 97 8.377 8.377 8.422 -0.045 19036 4666 1 7 . 1 1 98 98 GLY N N 98 112.970 112.970 107.386 5.584 19036 4667 1 7 . 1 1 98 98 GLY CA C 98 45.183 45.183 45.418 -0.235 19036 4668 1 7 . 1 1 98 98 GLY H H 98 10.687 10.687 8.635 2.052 19036 4669 1 7 . 1 1 99 99 TYR N N 99 116.080 116.080 117.227 -1.147 19036 4670 1 7 . 1 1 99 99 TYR HA H 99 5.065 5.065 5.206 -0.141 19036 4671 1 7 . 1 1 99 99 TYR CA C 99 56.198 56.198 56.613 -0.415 19036 4672 1 7 . 1 1 99 99 TYR CB C 99 43.110 43.110 41.864 1.246 19036 4673 1 7 . 1 1 99 99 TYR H H 99 7.671 7.671 8.512 -0.841 19036 4674 1 7 . 1 1 100 100 ILE N N 100 127.320 127.320 123.760 3.560 19036 4675 1 7 . 1 1 100 100 ILE HA H 100 4.780 4.780 4.549 0.231 19036 4676 1 7 . 1 1 100 100 ILE CA C 100 60.731 60.731 59.662 1.069 19036 4677 1 7 . 1 1 100 100 ILE CB C 100 39.050 39.050 39.238 -0.188 19036 4678 1 7 . 1 1 100 100 ILE H H 100 10.163 10.163 8.587 1.576 19036 4679 1 7 . 1 1 101 101 SER N N 101 123.810 123.810 123.295 0.515 19036 4680 1 7 . 1 1 101 101 SER HA H 101 4.898 4.898 4.883 0.015 19036 4681 1 7 . 1 1 101 101 SER CA C 101 55.840 55.840 56.292 -0.452 19036 4682 1 7 . 1 1 101 101 SER CB C 101 66.799 66.799 66.484 0.315 19036 4683 1 7 . 1 1 101 101 SER H H 101 8.970 8.970 8.116 0.854 19036 4684 1 7 . 1 1 102 102 ALA N N 102 123.130 123.130 124.391 -1.261 19036 4685 1 7 . 1 1 102 102 ALA HA H 102 3.927 3.927 3.990 -0.063 19036 4686 1 7 . 1 1 102 102 ALA CA C 102 56.023 56.023 55.148 0.875 19036 4687 1 7 . 1 1 102 102 ALA CB C 102 18.139 18.139 18.069 0.070 19036 4688 1 7 . 1 1 102 102 ALA H H 102 9.269 9.269 8.866 0.403 19036 4689 1 7 . 1 1 103 103 ALA N N 103 118.460 118.460 120.741 -2.281 19036 4690 1 7 . 1 1 103 103 ALA HA H 103 4.058 4.058 4.115 -0.057 19036 4691 1 7 . 1 1 103 103 ALA CA C 103 55.250 55.250 54.782 0.468 19036 4692 1 7 . 1 1 103 103 ALA CB C 103 18.492 18.492 18.138 0.354 19036 4693 1 7 . 1 1 103 103 ALA H H 103 8.294 8.294 8.448 -0.154 19036 4694 1 7 . 1 1 104 104 GLU N N 104 120.070 120.070 119.161 0.909 19036 4695 1 7 . 1 1 104 104 GLU HA H 104 4.073 4.073 4.039 0.034 19036 4696 1 7 . 1 1 104 104 GLU CA C 104 59.567 59.567 59.150 0.417 19036 4697 1 7 . 1 1 104 104 GLU CB C 104 29.262 29.262 29.536 -0.274 19036 4698 1 7 . 1 1 104 104 GLU H H 104 7.939 7.939 7.672 0.267 19036 4699 1 7 . 1 1 105 105 LEU N N 105 120.990 120.990 120.080 0.910 19036 4700 1 7 . 1 1 105 105 LEU HA H 105 4.133 4.133 4.121 0.012 19036 4701 1 7 . 1 1 105 105 LEU CA C 105 58.618 58.618 58.504 0.114 19036 4702 1 7 . 1 1 105 105 LEU CB C 105 42.210 42.210 42.014 0.196 19036 4703 1 7 . 1 1 105 105 LEU H H 105 8.534 8.534 7.674 0.860 19036 4704 1 7 . 1 1 106 106 ARG N N 106 117.580 117.580 118.841 -1.261 19036 4705 1 7 . 1 1 106 106 ARG HA H 106 3.832 3.832 3.945 -0.113 19036 4706 1 7 . 1 1 106 106 ARG CA C 106 60.041 60.041 59.388 0.653 19036 4707 1 7 . 1 1 106 106 ARG CB C 106 30.648 30.648 30.134 0.514 19036 4708 1 7 . 1 1 106 106 ARG H H 106 8.667 8.667 7.857 0.810 19036 4709 1 7 . 1 1 107 107 HIS N N 107 118.880 118.880 118.976 -0.096 19036 4710 1 7 . 1 1 107 107 HIS HA H 107 4.338 4.338 4.310 0.028 19036 4711 1 7 . 1 1 107 107 HIS CA C 107 59.771 59.771 58.659 1.112 19036 4712 1 7 . 1 1 107 107 HIS CB C 107 30.491 30.491 29.593 0.898 19036 4713 1 7 . 1 1 107 107 HIS H H 107 8.071 8.071 7.859 0.212 19036 4714 1 7 . 1 1 108 108 VAL N N 108 119.170 119.170 118.915 0.255 19036 4715 1 7 . 1 1 108 108 VAL HA H 108 3.556 3.556 3.440 0.116 19036 4716 1 7 . 1 1 108 108 VAL CA C 108 66.580 66.580 66.462 0.118 19036 4717 1 7 . 1 1 108 108 VAL CB C 108 31.920 31.920 31.246 0.674 19036 4718 1 7 . 1 1 108 108 VAL H H 108 8.107 8.107 7.678 0.429 19036 4719 1 7 . 1 1 109 109 MET N N 109 116.290 116.290 117.733 -1.443 19036 4720 1 7 . 1 1 109 109 MET HA H 109 4.326 4.326 4.134 0.192 19036 4721 1 7 . 1 1 109 109 MET CA C 109 57.824 57.824 59.519 -1.695 19036 4722 1 7 . 1 1 109 109 MET CB C 109 31.052 31.052 32.563 -1.511 19036 4723 1 7 . 1 1 109 109 MET H H 109 8.280 8.280 8.116 0.164 19036 4724 1 7 . 1 1 110 110 THR N N 110 115.190 115.190 116.774 -1.584 19036 4725 1 7 . 1 1 110 110 THR HA H 110 4.166 4.166 4.252 -0.086 19036 4726 1 7 . 1 1 110 110 THR CA C 110 66.182 66.182 66.823 -0.641 19036 4727 1 7 . 1 1 110 110 THR CB C 110 68.951 68.951 68.753 0.198 19036 4728 1 7 . 1 1 110 110 THR H H 110 8.244 8.244 7.980 0.264 19036 4729 1 7 . 1 1 111 111 ASN N N 111 122.310 122.310 119.881 2.429 19036 4730 1 7 . 1 1 111 111 ASN HA H 111 4.502 4.502 4.549 -0.047 19036 4731 1 7 . 1 1 111 111 ASN CA C 111 55.931 55.931 55.564 0.367 19036 4732 1 7 . 1 1 111 111 ASN CB C 111 38.585 38.585 38.166 0.419 19036 4733 1 7 . 1 1 111 111 ASN H H 111 7.904 7.904 7.907 -0.003 19036 4734 1 7 . 1 1 112 112 LEU N N 112 118.850 118.850 118.420 0.430 19036 4735 1 7 . 1 1 112 112 LEU HA H 112 4.354 4.354 4.491 -0.137 19036 4736 1 7 . 1 1 112 112 LEU CA C 112 55.274 55.274 54.660 0.613 19036 4737 1 7 . 1 1 112 112 LEU CB C 112 42.218 42.218 41.591 0.627 19036 4738 1 7 . 1 1 112 112 LEU H H 112 7.873 7.873 7.303 0.570 19036 4739 1 7 . 1 1 113 113 GLY N N 113 106.700 106.700 107.743 -1.043 19036 4740 1 7 . 1 1 113 113 GLY CA C 113 45.596 45.596 45.208 0.388 19036 4741 1 7 . 1 1 113 113 GLY H H 113 7.844 7.844 7.730 0.114 19036 4742 1 7 . 1 1 114 114 GLU N N 114 120.140 120.140 121.429 -1.289 19036 4743 1 7 . 1 1 114 114 GLU HA H 114 4.459 4.459 4.525 -0.066 19036 4744 1 7 . 1 1 114 114 GLU CA C 114 55.046 55.046 55.644 -0.598 19036 4745 1 7 . 1 1 114 114 GLU CB C 114 30.469 30.469 31.869 -1.400 19036 4746 1 7 . 1 1 114 114 GLU H H 114 7.946 7.946 7.709 0.237 19036 4747 1 7 . 1 1 115 115 LYS N N 115 124.130 124.130 124.067 0.063 19036 4748 1 7 . 1 1 115 115 LYS HA H 115 4.394 4.394 4.606 -0.212 19036 4749 1 7 . 1 1 115 115 LYS CA C 115 55.794 55.794 56.228 -0.434 19036 4750 1 7 . 1 1 115 115 LYS CB C 115 32.191 32.191 33.017 -0.826 19036 4751 1 7 . 1 1 115 115 LYS H H 115 8.646 8.646 8.491 0.155 19036 4752 1 7 . 1 1 116 116 LEU N N 116 124.840 124.840 125.889 -1.049 19036 4753 1 7 . 1 1 116 116 LEU HA H 116 4.793 4.793 4.801 -0.008 19036 4754 1 7 . 1 1 116 116 LEU CA C 116 54.127 54.127 53.300 0.827 19036 4755 1 7 . 1 1 116 116 LEU CB C 116 44.934 44.934 44.178 0.756 19036 4756 1 7 . 1 1 116 116 LEU H H 116 8.097 8.097 8.308 -0.211 19036 4757 1 7 . 1 1 117 117 THR N N 117 114.690 114.690 110.243 4.447 19036 4758 1 7 . 1 1 117 117 THR HA H 117 4.492 4.492 4.584 -0.092 19036 4759 1 7 . 1 1 117 117 THR CA C 117 60.751 60.751 60.338 0.413 19036 4760 1 7 . 1 1 117 117 THR CB C 117 71.303 71.303 70.742 0.561 19036 4761 1 7 . 1 1 117 117 THR H H 117 9.252 9.252 7.929 1.323 19036 4762 1 7 . 1 1 118 118 ASP N N 118 121.130 121.130 122.437 -1.307 19036 4763 1 7 . 1 1 118 118 ASP HA H 118 4.232 4.232 4.373 -0.141 19036 4764 1 7 . 1 1 118 118 ASP CA C 118 58.080 58.080 57.465 0.615 19036 4765 1 7 . 1 1 118 118 ASP CB C 118 39.870 39.870 40.383 -0.513 19036 4766 1 7 . 1 1 118 118 ASP H H 118 8.936 8.936 8.861 0.075 19036 4767 1 7 . 1 1 119 119 GLU N N 119 119.110 119.110 119.117 -0.007 19036 4768 1 7 . 1 1 119 119 GLU HA H 119 4.117 4.117 4.082 0.035 19036 4769 1 7 . 1 1 119 119 GLU CA C 119 60.043 60.043 59.474 0.569 19036 4770 1 7 . 1 1 119 119 GLU CB C 119 29.135 29.135 29.139 -0.004 19036 4771 1 7 . 1 1 119 119 GLU H H 119 8.715 8.715 8.772 -0.057 19036 4772 1 7 . 1 1 120 120 GLU N N 120 120.680 120.680 119.228 1.452 19036 4773 1 7 . 1 1 120 120 GLU HA H 120 4.062 4.062 4.151 -0.089 19036 4774 1 7 . 1 1 120 120 GLU CA C 120 59.138 59.138 58.975 0.163 19036 4775 1 7 . 1 1 120 120 GLU CB C 120 30.420 30.420 29.566 0.855 19036 4776 1 7 . 1 1 120 120 GLU H H 120 7.809 7.809 7.534 0.275 19036 4777 1 7 . 1 1 121 121 VAL N N 121 120.660 120.660 120.134 0.526 19036 4778 1 7 . 1 1 121 121 VAL HA H 121 3.637 3.637 3.699 -0.062 19036 4779 1 7 . 1 1 121 121 VAL CA C 121 67.003 67.003 66.945 0.058 19036 4780 1 7 . 1 1 121 121 VAL CB C 121 31.463 31.463 31.814 -0.351 19036 4781 1 7 . 1 1 121 121 VAL H H 121 8.079 8.079 7.933 0.147 19036 4782 1 7 . 1 1 122 122 ASP N N 122 119.590 119.590 120.320 -0.730 19036 4783 1 7 . 1 1 122 122 ASP HA H 122 4.349 4.349 4.313 0.036 19036 4784 1 7 . 1 1 122 122 ASP CA C 122 57.718 57.718 57.658 0.060 19036 4785 1 7 . 1 1 122 122 ASP CB C 122 40.593 40.593 40.675 -0.082 19036 4786 1 7 . 1 1 122 122 ASP H H 122 8.124 8.124 8.549 -0.425 19036 4787 1 7 . 1 1 123 123 GLU N N 123 119.760 119.760 119.470 0.290 19036 4788 1 7 . 1 1 123 123 GLU HA H 123 4.051 4.051 3.996 0.055 19036 4789 1 7 . 1 1 123 123 GLU CA C 123 59.144 59.144 59.170 -0.026 19036 4790 1 7 . 1 1 123 123 GLU CB C 123 29.161 29.161 29.561 -0.400 19036 4791 1 7 . 1 1 123 123 GLU H H 123 8.034 8.034 7.969 0.065 19036 4792 1 7 . 1 1 124 124 MET N N 124 119.580 119.580 118.955 0.625 19036 4793 1 7 . 1 1 124 124 MET HA H 124 4.024 4.024 4.104 -0.080 19036 4794 1 7 . 1 1 124 124 MET CA C 124 59.353 59.353 59.608 -0.255 19036 4795 1 7 . 1 1 124 124 MET CB C 124 33.497 33.497 32.813 0.684 19036 4796 1 7 . 1 1 124 124 MET H H 124 7.871 7.871 7.387 0.484 19036 4797 1 7 . 1 1 125 125 ILE N N 125 118.210 118.210 119.365 -1.155 19036 4798 1 7 . 1 1 125 125 ILE HA H 125 3.524 3.524 3.634 -0.110 19036 4799 1 7 . 1 1 125 125 ILE CA C 125 63.855 63.855 65.084 -1.229 19036 4800 1 7 . 1 1 125 125 ILE CB C 125 36.457 36.457 37.240 -0.784 19036 4801 1 7 . 1 1 125 125 ILE H H 125 7.953 7.953 7.697 0.256 19036 4802 1 7 . 1 1 126 126 ARG N N 126 118.420 118.420 120.021 -1.601 19036 4803 1 7 . 1 1 126 126 ARG HA H 126 4.038 4.038 3.952 0.086 19036 4804 1 7 . 1 1 126 126 ARG CA C 126 59.809 59.809 59.580 0.229 19036 4805 1 7 . 1 1 126 126 ARG CB C 126 30.311 30.311 30.175 0.136 19036 4806 1 7 . 1 1 126 126 ARG H H 126 8.228 8.228 7.814 0.414 19036 4807 1 7 . 1 1 127 127 GLU N N 127 115.830 115.830 118.925 -3.095 19036 4808 1 7 . 1 1 127 127 GLU HA H 127 4.026 4.026 4.136 -0.110 19036 4809 1 7 . 1 1 127 127 GLU CA C 127 58.489 58.489 58.689 -0.200 19036 4810 1 7 . 1 1 127 127 GLU CB C 127 29.435 29.435 29.749 -0.314 19036 4811 1 7 . 1 1 127 127 GLU H H 127 7.950 7.950 8.077 -0.127 19036 4812 1 7 . 1 1 128 128 ALA N N 128 119.010 119.010 119.293 -0.283 19036 4813 1 7 . 1 1 128 128 ALA HA H 128 4.444 4.444 4.345 0.099 19036 4814 1 7 . 1 1 128 128 ALA CA C 128 52.125 52.125 52.047 0.078 19036 4815 1 7 . 1 1 128 128 ALA CB C 128 21.322 21.322 19.585 1.737 19036 4816 1 7 . 1 1 128 128 ALA H H 128 7.386 7.386 7.694 -0.308 19036 4817 1 7 . 1 1 129 129 ASP N N 129 117.790 117.790 119.281 -1.491 19036 4818 1 7 . 1 1 129 129 ASP HA H 129 4.516 4.516 4.673 -0.157 19036 4819 1 7 . 1 1 129 129 ASP CA C 129 54.190 54.190 53.765 0.425 19036 4820 1 7 . 1 1 129 129 ASP CB C 129 40.587 40.587 39.792 0.795 19036 4821 1 7 . 1 1 129 129 ASP H H 129 7.913 7.913 7.641 0.272 19036 4822 1 7 . 1 1 130 130 ILE N N 130 127.770 127.770 123.741 4.029 19036 4823 1 7 . 1 1 130 130 ILE HA H 130 3.938 3.938 4.047 -0.109 19036 4824 1 7 . 1 1 130 130 ILE CA C 130 63.431 63.431 62.613 0.818 19036 4825 1 7 . 1 1 130 130 ILE CB C 130 38.748 38.748 38.565 0.183 19036 4826 1 7 . 1 1 130 130 ILE H H 130 8.332 8.332 8.209 0.123 19036 4827 1 7 . 1 1 131 131 ASP N N 131 116.680 116.680 119.338 -2.658 19036 4828 1 7 . 1 1 131 131 ASP HA H 131 4.493 4.493 4.513 -0.020 19036 4829 1 7 . 1 1 131 131 ASP CA C 131 53.734 53.734 54.563 -0.829 19036 4830 1 7 . 1 1 131 131 ASP CB C 131 40.062 40.062 41.312 -1.250 19036 4831 1 7 . 1 1 131 131 ASP H H 131 8.371 8.371 8.944 -0.573 19036 4832 1 7 . 1 1 132 132 GLY N N 132 108.680 108.680 108.985 -0.305 19036 4833 1 7 . 1 1 132 132 GLY CA C 132 47.587 47.587 45.390 2.197 19036 4834 1 7 . 1 1 132 132 GLY H H 132 7.636 7.636 8.135 -0.499 19036 4835 1 7 . 1 1 133 133 ASP N N 133 120.930 120.930 120.841 0.089 19036 4836 1 7 . 1 1 133 133 ASP HA H 133 4.530 4.530 4.534 -0.004 19036 4837 1 7 . 1 1 133 133 ASP CA C 133 53.845 53.845 53.462 0.383 19036 4838 1 7 . 1 1 133 133 ASP CB C 133 40.322 40.322 40.857 -0.535 19036 4839 1 7 . 1 1 133 133 ASP H H 133 8.378 8.378 8.677 -0.299 19036 4840 1 7 . 1 1 134 134 GLY N N 134 112.990 112.990 108.509 4.481 19036 4841 1 7 . 1 1 134 134 GLY CA C 134 45.855 45.855 45.444 0.411 19036 4842 1 7 . 1 1 134 134 GLY H H 134 10.401 10.401 8.046 2.355 19036 4843 1 7 . 1 1 135 135 GLN N N 135 115.490 115.490 117.309 -1.819 19036 4844 1 7 . 1 1 135 135 GLN HA H 135 4.887 4.887 4.691 0.196 19036 4845 1 7 . 1 1 135 135 GLN CA C 135 53.289 53.289 54.101 -0.812 19036 4846 1 7 . 1 1 135 135 GLN CB C 135 32.515 32.515 32.648 -0.133 19036 4847 1 7 . 1 1 135 135 GLN H H 135 8.007 8.007 8.675 -0.668 19036 4848 1 7 . 1 1 136 136 VAL N N 136 125.480 125.480 121.186 4.294 19036 4849 1 7 . 1 1 136 136 VAL HA H 136 5.213 5.213 4.678 0.535 19036 4850 1 7 . 1 1 136 136 VAL CA C 136 61.784 61.784 60.258 1.526 19036 4851 1 7 . 1 1 136 136 VAL CB C 136 33.839 33.839 31.872 1.967 19036 4852 1 7 . 1 1 136 136 VAL H H 136 9.167 9.167 8.149 1.018 19036 4853 1 7 . 1 1 137 137 ASN N N 137 129.140 129.140 125.050 4.090 19036 4854 1 7 . 1 1 137 137 ASN HA H 137 5.288 5.288 5.238 0.050 19036 4855 1 7 . 1 1 137 137 ASN CA C 137 51.176 51.176 51.123 0.053 19036 4856 1 7 . 1 1 137 137 ASN CB C 137 38.446 38.446 40.433 -1.987 19036 4857 1 7 . 1 1 137 137 ASN H H 137 9.576 9.576 7.989 1.587 19036 4858 1 7 . 1 1 138 138 TYR N N 138 118.600 118.600 120.940 -2.340 19036 4859 1 7 . 1 1 138 138 TYR HA H 138 3.456 3.456 4.171 -0.715 19036 4860 1 7 . 1 1 138 138 TYR CA C 138 62.842 62.842 63.678 -0.836 19036 4861 1 7 . 1 1 138 138 TYR CB C 138 37.805 37.805 37.970 -0.165 19036 4862 1 7 . 1 1 138 138 TYR H H 138 8.464 8.464 8.899 -0.435 19036 4863 1 7 . 1 1 139 139 GLU N N 139 118.470 118.470 118.870 -0.400 19036 4864 1 7 . 1 1 139 139 GLU HA H 139 3.686 3.686 3.966 -0.280 19036 4865 1 7 . 1 1 139 139 GLU CA C 139 60.456 60.456 60.632 -0.175 19036 4866 1 7 . 1 1 139 139 GLU CB C 139 29.008 29.008 28.968 0.040 19036 4867 1 7 . 1 1 139 139 GLU H H 139 8.152 8.152 8.991 -0.839 19036 4868 1 7 . 1 1 140 140 GLU N N 140 119.970 119.970 120.133 -0.163 19036 4869 1 7 . 1 1 140 140 GLU HA H 140 4.025 4.025 4.091 -0.066 19036 4870 1 7 . 1 1 140 140 GLU CA C 140 58.655 58.655 59.033 -0.378 19036 4871 1 7 . 1 1 140 140 GLU CB C 140 29.868 29.868 29.470 0.398 19036 4872 1 7 . 1 1 140 140 GLU H H 140 8.815 8.815 8.207 0.607 19036 4873 1 7 . 1 1 141 141 PHE N N 141 124.860 124.860 121.937 2.923 19036 4874 1 7 . 1 1 141 141 PHE HA H 141 4.000 4.000 4.221 -0.221 19036 4875 1 7 . 1 1 141 141 PHE CA C 141 61.733 61.733 61.580 0.153 19036 4876 1 7 . 1 1 141 141 PHE CB C 141 40.089 40.089 39.381 0.708 19036 4877 1 7 . 1 1 141 141 PHE H H 141 8.927 8.927 8.873 0.054 19036 4878 1 7 . 1 1 142 142 VAL N N 142 119.400 119.400 118.583 0.817 19036 4879 1 7 . 1 1 142 142 VAL HA H 142 3.152 3.152 3.515 -0.363 19036 4880 1 7 . 1 1 142 142 VAL CA C 142 67.139 67.139 67.067 0.072 19036 4881 1 7 . 1 1 142 142 VAL CB C 142 31.622 31.622 31.512 0.110 19036 4882 1 7 . 1 1 142 142 VAL H H 142 8.635 8.635 8.823 -0.188 19036 4883 1 7 . 1 1 143 143 GLN N N 143 118.420 118.420 117.479 0.941 19036 4884 1 7 . 1 1 143 143 GLN HA H 143 3.902 3.902 4.015 -0.113 19036 4885 1 7 . 1 1 143 143 GLN CA C 143 58.894 58.894 58.149 0.745 19036 4886 1 7 . 1 1 143 143 GLN CB C 143 28.186 28.186 28.509 -0.323 19036 4887 1 7 . 1 1 143 143 GLN H H 143 7.516 7.516 8.023 -0.507 19036 4888 1 7 . 1 1 144 144 MET N N 144 119.410 119.410 116.450 2.960 19036 4889 1 7 . 1 1 144 144 MET HA H 144 4.113 4.113 4.101 0.012 19036 4890 1 7 . 1 1 144 144 MET CA C 144 58.360 58.360 57.958 0.402 19036 4891 1 7 . 1 1 144 144 MET CB C 144 33.188 33.188 32.946 0.242 19036 4892 1 7 . 1 1 144 144 MET H H 144 7.867 7.867 8.131 -0.264 19036 4893 1 7 . 1 1 145 145 MET N N 145 114.770 114.770 115.018 -0.248 19036 4894 1 7 . 1 1 145 145 MET HA H 145 4.263 4.263 4.264 -0.001 19036 4895 1 7 . 1 1 145 145 MET CA C 145 55.607 55.607 56.775 -1.168 19036 4896 1 7 . 1 1 145 145 MET CB C 145 32.224 32.224 32.735 -0.511 19036 4897 1 7 . 1 1 145 145 MET H H 145 7.796 7.796 7.500 0.296 19036 4898 1 7 . 1 1 146 146 THR N N 146 111.500 111.500 116.561 -5.061 19036 4899 1 7 . 1 1 146 146 THR HA H 146 4.325 4.325 4.147 0.178 19036 4900 1 7 . 1 1 146 146 THR CA C 146 62.420 62.420 63.103 -0.683 19036 4901 1 7 . 1 1 146 146 THR CB C 146 70.327 70.327 66.674 3.653 19036 4902 1 7 . 1 1 146 146 THR H H 146 7.591 7.591 7.845 -0.254 19036 4903 1 7 . 1 1 147 147 ALA N N 147 127.110 127.110 124.937 2.173 19036 4904 1 7 . 1 1 147 147 ALA HA H 147 4.319 4.319 4.572 -0.253 19036 4905 1 7 . 1 1 147 147 ALA CA C 147 52.991 52.991 50.855 2.136 19036 4906 1 7 . 1 1 147 147 ALA CB C 147 19.162 19.162 20.847 -1.685 19036 4907 1 7 . 1 1 147 147 ALA H H 147 7.827 7.827 8.201 -0.374 19036 4908 1 8 . 1 1 2 2 ASP HA H 2 4.654 4.654 4.656 -0.002 19036 4909 1 8 . 1 1 2 2 ASP CA C 2 54.799 54.799 54.433 0.366 19036 4910 1 8 . 1 1 2 2 ASP CB C 2 41.496 41.496 41.443 0.053 19036 4911 1 8 . 1 1 3 3 GLN N N 3 119.900 119.900 120.432 -0.532 19036 4912 1 8 . 1 1 3 3 GLN HA H 3 4.399 4.399 4.364 0.035 19036 4913 1 8 . 1 1 3 3 GLN CA C 3 55.646 55.646 55.297 0.349 19036 4914 1 8 . 1 1 3 3 GLN CB C 3 29.996 29.996 29.160 0.836 19036 4915 1 8 . 1 1 3 3 GLN H H 3 8.385 8.385 7.759 0.626 19036 4916 1 8 . 1 1 4 4 LEU N N 4 123.270 123.270 128.975 -5.705 19036 4917 1 8 . 1 1 4 4 LEU HA H 4 4.681 4.681 4.531 0.150 19036 4918 1 8 . 1 1 4 4 LEU CA C 4 54.516 54.516 54.180 0.336 19036 4919 1 8 . 1 1 4 4 LEU CB C 4 43.666 43.666 43.783 -0.117 19036 4920 1 8 . 1 1 4 4 LEU H H 4 8.351 8.351 8.435 -0.084 19036 4921 1 8 . 1 1 5 5 THR N N 5 113.150 113.150 114.691 -1.541 19036 4922 1 8 . 1 1 5 5 THR HA H 5 4.479 4.479 4.594 -0.115 19036 4923 1 8 . 1 1 5 5 THR CA C 5 60.553 60.553 60.105 0.448 19036 4924 1 8 . 1 1 5 5 THR CB C 5 71.232 71.232 71.860 -0.628 19036 4925 1 8 . 1 1 5 5 THR H H 5 8.764 8.764 8.499 0.265 19036 4926 1 8 . 1 1 6 6 GLU N N 6 120.490 120.490 122.906 -2.416 19036 4927 1 8 . 1 1 6 6 GLU HA H 6 3.994 3.994 3.953 0.041 19036 4928 1 8 . 1 1 6 6 GLU CA C 6 60.091 60.091 59.832 0.259 19036 4929 1 8 . 1 1 6 6 GLU CB C 6 29.307 29.307 29.324 -0.017 19036 4930 1 8 . 1 1 6 6 GLU H H 6 9.066 9.066 8.966 0.100 19036 4931 1 8 . 1 1 7 7 GLU N N 7 119.640 119.640 118.176 1.464 19036 4932 1 8 . 1 1 7 7 GLU HA H 7 4.081 4.081 4.032 0.049 19036 4933 1 8 . 1 1 7 7 GLU CA C 7 60.055 60.055 59.078 0.977 19036 4934 1 8 . 1 1 7 7 GLU CB C 7 29.194 29.194 29.031 0.163 19036 4935 1 8 . 1 1 7 7 GLU H H 7 8.769 8.769 8.679 0.090 19036 4936 1 8 . 1 1 8 8 GLN N N 8 120.420 120.420 118.428 1.992 19036 4937 1 8 . 1 1 8 8 GLN HA H 8 3.857 3.857 4.024 -0.167 19036 4938 1 8 . 1 1 8 8 GLN CA C 8 58.691 58.691 58.356 0.335 19036 4939 1 8 . 1 1 8 8 GLN CB C 8 29.295 29.295 28.676 0.619 19036 4940 1 8 . 1 1 8 8 GLN H H 8 7.779 7.779 7.420 0.358 19036 4941 1 8 . 1 1 9 9 ILE N N 9 119.530 119.530 119.732 -0.202 19036 4942 1 8 . 1 1 9 9 ILE HA H 9 3.699 3.699 3.602 0.097 19036 4943 1 8 . 1 1 9 9 ILE CA C 9 66.284 66.284 64.796 1.488 19036 4944 1 8 . 1 1 9 9 ILE CB C 9 37.882 37.882 37.795 0.087 19036 4945 1 8 . 1 1 9 9 ILE H H 9 8.391 8.391 7.389 1.002 19036 4946 1 8 . 1 1 10 10 ALA N N 10 121.270 121.270 121.927 -0.657 19036 4947 1 8 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.873 0.267 19036 4948 1 8 . 1 1 10 10 ALA CA C 10 55.569 55.569 55.248 0.321 19036 4949 1 8 . 1 1 10 10 ALA CB C 10 17.977 17.977 17.952 0.025 19036 4950 1 8 . 1 1 10 10 ALA H H 10 8.040 8.040 7.665 0.375 19036 4951 1 8 . 1 1 11 11 GLU N N 11 119.830 119.830 119.238 0.592 19036 4952 1 8 . 1 1 11 11 GLU HA H 11 4.159 4.159 4.019 0.140 19036 4953 1 8 . 1 1 11 11 GLU CA C 11 59.438 59.438 59.221 0.217 19036 4954 1 8 . 1 1 11 11 GLU CB C 11 29.098 29.098 29.468 -0.371 19036 4955 1 8 . 1 1 11 11 GLU H H 11 7.841 7.841 7.505 0.336 19036 4956 1 8 . 1 1 12 12 PHE N N 12 120.250 120.250 116.837 3.413 19036 4957 1 8 . 1 1 12 12 PHE HA H 12 5.033 5.033 4.751 0.282 19036 4958 1 8 . 1 1 12 12 PHE CA C 12 59.113 59.113 57.078 2.035 19036 4959 1 8 . 1 1 12 12 PHE CB C 12 37.727 37.727 38.432 -0.705 19036 4960 1 8 . 1 1 12 12 PHE H H 12 8.641 8.641 7.301 1.340 19036 4961 1 8 . 1 1 13 13 LYS N N 13 123.680 123.680 122.099 1.581 19036 4962 1 8 . 1 1 13 13 LYS HA H 13 4.038 4.038 4.039 -0.001 19036 4963 1 8 . 1 1 13 13 LYS CA C 13 60.228 60.228 60.516 -0.288 19036 4964 1 8 . 1 1 13 13 LYS CB C 13 32.020 32.020 32.154 -0.134 19036 4965 1 8 . 1 1 13 13 LYS H H 13 9.273 9.273 8.321 0.952 19036 4966 1 8 . 1 1 14 14 GLU N N 14 120.480 120.480 118.387 2.093 19036 4967 1 8 . 1 1 14 14 GLU HA H 14 4.150 4.150 4.051 0.099 19036 4968 1 8 . 1 1 14 14 GLU CA C 14 59.283 59.283 59.237 0.046 19036 4969 1 8 . 1 1 14 14 GLU CB C 14 29.163 29.163 29.459 -0.296 19036 4970 1 8 . 1 1 14 14 GLU H H 14 7.873 7.873 7.795 0.078 19036 4971 1 8 . 1 1 15 15 ALA N N 15 122.590 122.590 121.796 0.794 19036 4972 1 8 . 1 1 15 15 ALA HA H 15 4.285 4.285 4.240 0.045 19036 4973 1 8 . 1 1 15 15 ALA CA C 15 55.370 55.370 54.789 0.581 19036 4974 1 8 . 1 1 15 15 ALA CB C 15 18.190 18.190 18.617 -0.427 19036 4975 1 8 . 1 1 15 15 ALA H H 15 8.045 8.045 7.744 0.301 19036 4976 1 8 . 1 1 16 16 PHE N N 16 119.110 119.110 119.532 -0.422 19036 4977 1 8 . 1 1 16 16 PHE HA H 16 3.314 3.314 3.897 -0.583 19036 4978 1 8 . 1 1 16 16 PHE CA C 16 62.091 62.091 60.289 1.802 19036 4979 1 8 . 1 1 16 16 PHE CB C 16 39.813 39.813 39.093 0.720 19036 4980 1 8 . 1 1 16 16 PHE H H 16 8.804 8.804 8.343 0.461 19036 4981 1 8 . 1 1 17 17 SER N N 17 113.200 113.200 114.871 -1.671 19036 4982 1 8 . 1 1 17 17 SER HA H 17 4.139 4.139 3.898 0.241 19036 4983 1 8 . 1 1 17 17 SER CA C 17 61.542 61.542 61.491 0.051 19036 4984 1 8 . 1 1 17 17 SER CB C 17 63.424 63.424 63.148 0.276 19036 4985 1 8 . 1 1 17 17 SER H H 17 8.083 8.083 7.848 0.235 19036 4986 1 8 . 1 1 18 18 LEU N N 18 120.840 120.840 120.053 0.787 19036 4987 1 8 . 1 1 18 18 LEU HA H 18 3.981 3.981 3.907 0.074 19036 4988 1 8 . 1 1 18 18 LEU CA C 18 57.258 57.258 57.518 -0.260 19036 4989 1 8 . 1 1 18 18 LEU CB C 18 41.565 41.565 41.945 -0.380 19036 4990 1 8 . 1 1 18 18 LEU H H 18 7.436 7.436 7.547 -0.111 19036 4991 1 8 . 1 1 19 19 PHE N N 19 114.020 114.020 114.426 -0.406 19036 4992 1 8 . 1 1 19 19 PHE HA H 19 4.237 4.237 4.137 0.100 19036 4993 1 8 . 1 1 19 19 PHE CA C 19 59.258 59.258 60.004 -0.746 19036 4994 1 8 . 1 1 19 19 PHE CB C 19 41.732 41.732 39.023 2.709 19036 4995 1 8 . 1 1 19 19 PHE H H 19 7.180 7.180 7.365 -0.185 19036 4996 1 8 . 1 1 20 20 ASP N N 20 117.440 117.440 118.372 -0.932 19036 4997 1 8 . 1 1 20 20 ASP HA H 20 4.579 4.579 4.562 0.017 19036 4998 1 8 . 1 1 20 20 ASP CA C 20 52.295 52.295 52.590 -0.295 19036 4999 1 8 . 1 1 20 20 ASP CB C 20 39.167 39.167 39.192 -0.025 19036 5000 1 8 . 1 1 20 20 ASP H H 20 7.844 7.844 7.370 0.474 19036 5001 1 8 . 1 1 21 21 LYS N N 21 124.410 124.410 124.397 0.013 19036 5002 1 8 . 1 1 21 21 LYS HA H 21 3.990 3.990 3.946 0.045 19036 5003 1 8 . 1 1 21 21 LYS CA C 21 58.379 58.379 58.708 -0.329 19036 5004 1 8 . 1 1 21 21 LYS CB C 21 32.623 32.623 32.424 0.199 19036 5005 1 8 . 1 1 21 21 LYS H H 21 7.728 7.728 7.862 -0.134 19036 5006 1 8 . 1 1 22 22 ASP N N 22 114.060 114.060 117.617 -3.557 19036 5007 1 8 . 1 1 22 22 ASP HA H 22 4.625 4.625 4.469 0.156 19036 5008 1 8 . 1 1 22 22 ASP CA C 22 52.921 52.921 55.772 -2.850 19036 5009 1 8 . 1 1 22 22 ASP CB C 22 39.728 39.728 40.890 -1.162 19036 5010 1 8 . 1 1 22 22 ASP H H 22 8.095 8.095 8.868 -0.773 19036 5011 1 8 . 1 1 23 23 GLY N N 23 109.390 109.390 107.588 1.802 19036 5012 1 8 . 1 1 23 23 GLY CA C 23 47.250 47.250 45.988 1.262 19036 5013 1 8 . 1 1 23 23 GLY H H 23 7.717 7.717 7.927 -0.210 19036 5014 1 8 . 1 1 24 24 ASP N N 24 120.860 120.860 120.229 0.631 19036 5015 1 8 . 1 1 24 24 ASP HA H 24 4.564 4.564 4.614 -0.050 19036 5016 1 8 . 1 1 24 24 ASP CA C 24 53.918 53.918 52.649 1.269 19036 5017 1 8 . 1 1 24 24 ASP CB C 24 40.569 40.569 40.101 0.468 19036 5018 1 8 . 1 1 24 24 ASP H H 24 8.472 8.472 8.123 0.349 19036 5019 1 8 . 1 1 25 25 GLY N N 25 113.090 113.090 108.823 4.267 19036 5020 1 8 . 1 1 25 25 GLY CA C 25 45.542 45.542 45.909 -0.367 19036 5021 1 8 . 1 1 25 25 GLY H H 25 10.619 10.619 8.195 2.424 19036 5022 1 8 . 1 1 26 26 THR N N 26 112.600 112.600 110.363 2.237 19036 5023 1 8 . 1 1 26 26 THR HA H 26 5.391 5.391 5.276 0.115 19036 5024 1 8 . 1 1 26 26 THR CA C 26 59.883 59.883 59.886 -0.003 19036 5025 1 8 . 1 1 26 26 THR CB C 26 72.786 72.786 72.343 0.443 19036 5026 1 8 . 1 1 26 26 THR H H 26 8.211 8.211 8.697 -0.486 19036 5027 1 8 . 1 1 27 27 ILE N N 27 126.830 126.830 123.778 3.052 19036 5028 1 8 . 1 1 27 27 ILE HA H 27 4.895 4.895 4.494 0.401 19036 5029 1 8 . 1 1 27 27 ILE CA C 27 60.856 60.856 60.352 0.504 19036 5030 1 8 . 1 1 27 27 ILE CB C 27 39.926 39.926 39.857 0.069 19036 5031 1 8 . 1 1 27 27 ILE H H 27 9.876 9.876 8.379 1.497 19036 5032 1 8 . 1 1 28 28 THR N N 28 116.500 116.500 117.841 -1.341 19036 5033 1 8 . 1 1 28 28 THR HA H 28 4.811 4.811 4.956 -0.145 19036 5034 1 8 . 1 1 28 28 THR CA C 28 59.216 59.216 59.661 -0.445 19036 5035 1 8 . 1 1 28 28 THR CB C 28 72.541 72.541 71.267 1.274 19036 5036 1 8 . 1 1 28 28 THR H H 28 8.439 8.439 9.319 -0.880 19036 5037 1 8 . 1 1 29 29 THR N N 29 112.850 112.850 115.733 -2.883 19036 5038 1 8 . 1 1 29 29 THR HA H 29 3.807 3.807 3.925 -0.118 19036 5039 1 8 . 1 1 29 29 THR CA C 29 66.516 66.516 66.088 0.428 19036 5040 1 8 . 1 1 29 29 THR CB C 29 68.018 68.018 68.205 -0.187 19036 5041 1 8 . 1 1 29 29 THR H H 29 9.238 9.238 8.986 0.252 19036 5042 1 8 . 1 1 30 30 LYS N N 30 121.130 121.130 122.872 -1.742 19036 5043 1 8 . 1 1 30 30 LYS HA H 30 4.170 4.170 3.993 0.177 19036 5044 1 8 . 1 1 30 30 LYS CA C 30 59.377 59.377 59.644 -0.267 19036 5045 1 8 . 1 1 30 30 LYS CB C 30 32.823 32.823 32.064 0.759 19036 5046 1 8 . 1 1 30 30 LYS H H 30 7.688 7.688 8.214 -0.526 19036 5047 1 8 . 1 1 31 31 GLU N N 31 121.920 121.920 119.499 2.421 19036 5048 1 8 . 1 1 31 31 GLU HA H 31 4.062 4.062 4.018 0.044 19036 5049 1 8 . 1 1 31 31 GLU CA C 31 59.579 59.579 59.435 0.144 19036 5050 1 8 . 1 1 31 31 GLU CB C 31 29.837 29.837 29.666 0.171 19036 5051 1 8 . 1 1 31 31 GLU H H 31 7.783 7.783 7.541 0.242 19036 5052 1 8 . 1 1 32 32 LEU N N 32 120.570 120.570 121.023 -0.453 19036 5053 1 8 . 1 1 32 32 LEU HA H 32 4.145 4.145 4.090 0.055 19036 5054 1 8 . 1 1 32 32 LEU CA C 32 58.321 58.321 58.083 0.238 19036 5055 1 8 . 1 1 32 32 LEU CB C 32 42.697 42.697 42.112 0.585 19036 5056 1 8 . 1 1 32 32 LEU H H 32 8.705 8.705 8.136 0.569 19036 5057 1 8 . 1 1 33 33 GLY N N 33 105.720 105.720 105.914 -0.194 19036 5058 1 8 . 1 1 33 33 GLY H H 33 8.753 8.753 8.386 0.367 19036 5059 1 8 . 1 1 34 34 THR N N 34 118.370 118.370 118.610 -0.240 19036 5060 1 8 . 1 1 34 34 THR HA H 34 3.961 3.961 4.025 -0.064 19036 5061 1 8 . 1 1 34 34 THR CA C 34 67.097 67.097 66.381 0.716 19036 5062 1 8 . 1 1 34 34 THR CB C 34 68.869 68.869 68.370 0.499 19036 5063 1 8 . 1 1 34 34 THR H H 34 8.071 8.071 7.899 0.172 19036 5064 1 8 . 1 1 35 35 VAL N N 35 122.170 122.170 121.763 0.407 19036 5065 1 8 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.869 -0.260 19036 5066 1 8 . 1 1 35 35 VAL CA C 35 66.538 66.538 65.011 1.527 19036 5067 1 8 . 1 1 35 35 VAL CB C 35 31.589 31.589 31.457 0.132 19036 5068 1 8 . 1 1 35 35 VAL H H 35 7.738 7.738 7.632 0.106 19036 5069 1 8 . 1 1 36 36 MET N N 36 118.620 118.620 118.945 -0.325 19036 5070 1 8 . 1 1 36 36 MET HA H 36 4.043 4.043 4.127 -0.084 19036 5071 1 8 . 1 1 36 36 MET CA C 36 59.594 59.594 58.584 1.010 19036 5072 1 8 . 1 1 36 36 MET CB C 36 31.850 31.850 32.364 -0.513 19036 5073 1 8 . 1 1 36 36 MET H H 36 8.559 8.559 8.721 -0.162 19036 5074 1 8 . 1 1 37 37 ARG N N 37 118.920 118.920 118.666 0.254 19036 5075 1 8 . 1 1 37 37 ARG HA H 37 4.798 4.798 4.190 0.608 19036 5076 1 8 . 1 1 37 37 ARG CA C 37 59.518 59.518 59.256 0.262 19036 5077 1 8 . 1 1 37 37 ARG CB C 37 30.189 30.189 30.049 0.140 19036 5078 1 8 . 1 1 37 37 ARG H H 37 8.638 8.638 8.423 0.215 19036 5079 1 8 . 1 1 38 38 SER N N 38 119.000 119.000 114.450 4.550 19036 5080 1 8 . 1 1 38 38 SER HA H 38 4.420 4.420 4.192 0.228 19036 5081 1 8 . 1 1 38 38 SER CA C 38 61.682 61.682 60.701 0.981 19036 5082 1 8 . 1 1 38 38 SER CB C 38 62.890 62.890 63.016 -0.126 19036 5083 1 8 . 1 1 38 38 SER H H 38 7.994 7.994 7.702 0.292 19036 5084 1 8 . 1 1 39 39 LEU N N 39 120.790 120.790 121.626 -0.836 19036 5085 1 8 . 1 1 39 39 LEU HA H 39 4.498 4.498 4.204 0.294 19036 5086 1 8 . 1 1 39 39 LEU CA C 39 54.405 54.405 55.019 -0.614 19036 5087 1 8 . 1 1 39 39 LEU CB C 39 41.979 41.979 41.961 0.018 19036 5088 1 8 . 1 1 39 39 LEU H H 39 7.426 7.426 7.322 0.104 19036 5089 1 8 . 1 1 40 40 GLY N N 40 106.830 106.830 107.508 -0.678 19036 5090 1 8 . 1 1 40 40 GLY CA C 40 45.713 45.713 45.164 0.549 19036 5091 1 8 . 1 1 40 40 GLY H H 40 7.896 7.896 7.738 0.158 19036 5092 1 8 . 1 1 41 41 GLN N N 41 118.330 118.330 119.270 -0.940 19036 5093 1 8 . 1 1 41 41 GLN HA H 41 4.503 4.503 4.530 -0.027 19036 5094 1 8 . 1 1 41 41 GLN CA C 41 54.585 54.585 54.323 0.262 19036 5095 1 8 . 1 1 41 41 GLN CB C 41 30.591 30.591 31.215 -0.624 19036 5096 1 8 . 1 1 41 41 GLN H H 41 7.865 7.865 7.660 0.205 19036 5097 1 8 . 1 1 42 42 ASN N N 42 116.490 116.490 118.154 -1.664 19036 5098 1 8 . 1 1 42 42 ASN HA H 42 5.214 5.214 5.021 0.193 19036 5099 1 8 . 1 1 42 42 ASN CA C 42 51.351 51.351 51.236 0.115 19036 5100 1 8 . 1 1 42 42 ASN CB C 42 39.402 39.402 38.215 1.187 19036 5101 1 8 . 1 1 42 42 ASN H H 42 8.771 8.771 8.537 0.234 19036 5102 1 8 . 1 1 43 43 PRO HA H 43 4.779 4.779 4.796 -0.017 19036 5103 1 8 . 1 1 43 43 PRO CA C 43 62.475 62.475 62.794 -0.319 19036 5104 1 8 . 1 1 43 43 PRO CB C 43 32.084 32.084 33.416 -1.333 19036 5105 1 8 . 1 1 44 44 THR N N 44 113.050 113.050 111.690 1.360 19036 5106 1 8 . 1 1 44 44 THR HA H 44 4.487 4.487 4.735 -0.248 19036 5107 1 8 . 1 1 44 44 THR CA C 44 60.565 60.565 59.875 0.690 19036 5108 1 8 . 1 1 44 44 THR CB C 44 71.260 71.260 71.667 -0.407 19036 5109 1 8 . 1 1 44 44 THR H H 44 8.808 8.808 8.095 0.713 19036 5110 1 8 . 1 1 45 45 GLU N N 45 120.700 120.700 121.617 -0.917 19036 5111 1 8 . 1 1 45 45 GLU HA H 45 4.001 4.001 4.001 0.000 19036 5112 1 8 . 1 1 45 45 GLU CA C 45 60.082 60.082 59.689 0.393 19036 5113 1 8 . 1 1 45 45 GLU CB C 45 29.129 29.129 29.180 -0.051 19036 5114 1 8 . 1 1 45 45 GLU H H 45 8.842 8.842 9.007 -0.165 19036 5115 1 8 . 1 1 46 46 ALA N N 46 120.880 120.880 121.584 -0.704 19036 5116 1 8 . 1 1 46 46 ALA HA H 46 4.125 4.125 4.153 -0.028 19036 5117 1 8 . 1 1 46 46 ALA CA C 46 55.125 55.125 54.856 0.269 19036 5118 1 8 . 1 1 46 46 ALA CB C 46 18.342 18.342 18.020 0.322 19036 5119 1 8 . 1 1 46 46 ALA H H 46 8.305 8.305 8.271 0.034 19036 5120 1 8 . 1 1 47 47 GLU N N 47 118.780 118.780 119.562 -0.782 19036 5121 1 8 . 1 1 47 47 GLU HA H 47 4.040 4.040 4.073 -0.033 19036 5122 1 8 . 1 1 47 47 GLU CA C 47 59.144 59.144 59.112 0.032 19036 5123 1 8 . 1 1 47 47 GLU CB C 47 29.886 29.886 29.669 0.217 19036 5124 1 8 . 1 1 47 47 GLU H H 47 7.736 7.736 7.591 0.145 19036 5125 1 8 . 1 1 48 48 LEU N N 48 120.120 120.120 119.561 0.559 19036 5126 1 8 . 1 1 48 48 LEU HA H 48 4.079 4.079 4.081 -0.002 19036 5127 1 8 . 1 1 48 48 LEU CA C 48 57.955 57.955 57.539 0.416 19036 5128 1 8 . 1 1 48 48 LEU CB C 48 42.516 42.516 41.841 0.675 19036 5129 1 8 . 1 1 48 48 LEU H H 48 8.169 8.169 7.968 0.201 19036 5130 1 8 . 1 1 49 49 GLN N N 49 118.390 118.390 119.606 -1.216 19036 5131 1 8 . 1 1 49 49 GLN HA H 49 3.849 3.849 3.916 -0.067 19036 5132 1 8 . 1 1 49 49 GLN CA C 49 58.676 58.676 59.307 -0.631 19036 5133 1 8 . 1 1 49 49 GLN CB C 49 28.341 28.341 28.149 0.192 19036 5134 1 8 . 1 1 49 49 GLN H H 49 8.235 8.235 8.192 0.043 19036 5135 1 8 . 1 1 50 50 ASP N N 50 120.090 120.090 119.705 0.385 19036 5136 1 8 . 1 1 50 50 ASP HA H 50 4.439 4.439 4.374 0.065 19036 5137 1 8 . 1 1 50 50 ASP CA C 50 57.643 57.643 57.182 0.461 19036 5138 1 8 . 1 1 50 50 ASP CB C 50 40.366 40.366 40.775 -0.409 19036 5139 1 8 . 1 1 50 50 ASP H H 50 8.164 8.164 7.716 0.448 19036 5140 1 8 . 1 1 51 51 MET N N 51 119.330 119.330 118.423 0.907 19036 5141 1 8 . 1 1 51 51 MET HA H 51 4.021 4.021 4.008 0.012 19036 5142 1 8 . 1 1 51 51 MET CA C 51 59.332 59.332 59.937 -0.605 19036 5143 1 8 . 1 1 51 51 MET CB C 51 33.713 33.713 32.964 0.749 19036 5144 1 8 . 1 1 51 51 MET H H 51 7.909 7.909 7.457 0.452 19036 5145 1 8 . 1 1 52 52 ILE N N 52 118.080 118.080 117.586 0.494 19036 5146 1 8 . 1 1 52 52 ILE HA H 52 3.581 3.581 3.792 -0.211 19036 5147 1 8 . 1 1 52 52 ILE CA C 52 64.476 64.476 64.292 0.184 19036 5148 1 8 . 1 1 52 52 ILE CB C 52 37.177 37.177 37.581 -0.404 19036 5149 1 8 . 1 1 52 52 ILE H H 52 7.767 7.767 8.200 -0.433 19036 5150 1 8 . 1 1 53 53 ASN N N 53 117.980 117.980 119.658 -1.678 19036 5151 1 8 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.422 -0.005 19036 5152 1 8 . 1 1 53 53 ASN CA C 53 55.988 55.988 56.012 -0.024 19036 5153 1 8 . 1 1 53 53 ASN CB C 53 38.211 38.211 38.032 0.179 19036 5154 1 8 . 1 1 53 53 ASN H H 53 8.669 8.669 8.808 -0.139 19036 5155 1 8 . 1 1 54 54 GLU N N 54 116.350 116.350 118.211 -1.861 19036 5156 1 8 . 1 1 54 54 GLU HA H 54 4.066 4.066 4.136 -0.070 19036 5157 1 8 . 1 1 54 54 GLU CA C 54 58.930 58.930 58.862 0.068 19036 5158 1 8 . 1 1 54 54 GLU CB C 54 30.404 30.404 29.693 0.711 19036 5159 1 8 . 1 1 54 54 GLU H H 54 7.566 7.566 8.105 -0.539 19036 5160 1 8 . 1 1 55 55 VAL N N 55 110.520 110.520 116.717 -6.197 19036 5161 1 8 . 1 1 55 55 VAL HA H 55 4.366 4.366 4.287 0.079 19036 5162 1 8 . 1 1 55 55 VAL CA C 55 61.089 61.089 60.260 0.829 19036 5163 1 8 . 1 1 55 55 VAL CB C 55 33.088 33.088 32.808 0.280 19036 5164 1 8 . 1 1 55 55 VAL H H 55 7.242 7.242 7.334 -0.092 19036 5165 1 8 . 1 1 56 56 ASP N N 56 121.390 121.390 121.194 0.196 19036 5166 1 8 . 1 1 56 56 ASP HA H 56 4.582 4.582 4.656 -0.074 19036 5167 1 8 . 1 1 56 56 ASP CA C 56 53.916 53.916 53.522 0.394 19036 5168 1 8 . 1 1 56 56 ASP CB C 56 40.588 40.588 40.353 0.235 19036 5169 1 8 . 1 1 56 56 ASP H H 56 7.749 7.749 7.525 0.224 19036 5170 1 8 . 1 1 57 57 ALA N N 57 131.640 131.640 129.906 1.734 19036 5171 1 8 . 1 1 57 57 ALA HA H 57 4.247 4.247 4.233 0.014 19036 5172 1 8 . 1 1 57 57 ALA CA C 57 54.341 54.341 53.418 0.923 19036 5173 1 8 . 1 1 57 57 ALA CB C 57 19.800 19.800 19.962 -0.162 19036 5174 1 8 . 1 1 57 57 ALA H H 57 8.323 8.323 8.130 0.193 19036 5175 1 8 . 1 1 58 58 ASP N N 58 114.000 114.000 116.377 -2.377 19036 5176 1 8 . 1 1 58 58 ASP HA H 58 4.682 4.682 4.621 0.061 19036 5177 1 8 . 1 1 58 58 ASP CA C 58 52.705 52.705 53.157 -0.452 19036 5178 1 8 . 1 1 58 58 ASP CB C 58 39.931 39.931 40.565 -0.634 19036 5179 1 8 . 1 1 58 58 ASP H H 58 8.240 8.240 7.987 0.253 19036 5180 1 8 . 1 1 59 59 GLY N N 59 108.660 108.660 108.572 0.088 19036 5181 1 8 . 1 1 59 59 GLY CA C 59 47.306 47.306 46.092 1.214 19036 5182 1 8 . 1 1 59 59 GLY H H 59 7.635 7.635 8.608 -0.973 19036 5183 1 8 . 1 1 60 60 ASN N N 60 118.730 118.730 119.537 -0.807 19036 5184 1 8 . 1 1 60 60 ASN HA H 60 4.658 4.658 4.694 -0.036 19036 5185 1 8 . 1 1 60 60 ASN CA C 60 52.805 52.805 52.129 0.676 19036 5186 1 8 . 1 1 60 60 ASN CB C 60 37.716 37.716 38.742 -1.026 19036 5187 1 8 . 1 1 60 60 ASN H H 60 8.184 8.184 9.037 -0.853 19036 5188 1 8 . 1 1 61 61 GLY N N 61 113.430 113.430 109.721 3.709 19036 5189 1 8 . 1 1 61 61 GLY CA C 61 45.753 45.753 46.012 -0.259 19036 5190 1 8 . 1 1 61 61 GLY H H 61 10.605 10.605 9.118 1.487 19036 5191 1 8 . 1 1 62 62 THR N N 62 108.750 108.750 109.880 -1.130 19036 5192 1 8 . 1 1 62 62 THR HA H 62 4.874 4.874 4.943 -0.069 19036 5193 1 8 . 1 1 62 62 THR CA C 62 59.541 59.541 59.690 -0.149 19036 5194 1 8 . 1 1 62 62 THR CB C 62 72.168 72.168 72.801 -0.633 19036 5195 1 8 . 1 1 62 62 THR H H 62 7.699 7.699 8.331 -0.632 19036 5196 1 8 . 1 1 63 63 ILE N N 63 123.510 123.510 123.225 0.285 19036 5197 1 8 . 1 1 63 63 ILE HA H 63 5.160 5.160 4.713 0.447 19036 5198 1 8 . 1 1 63 63 ILE CA C 63 59.959 59.959 60.416 -0.457 19036 5199 1 8 . 1 1 63 63 ILE CB C 63 39.836 39.836 39.653 0.183 19036 5200 1 8 . 1 1 63 63 ILE H H 63 8.823 8.823 8.086 0.737 19036 5201 1 8 . 1 1 64 64 ASP N N 64 128.370 128.370 128.091 0.279 19036 5202 1 8 . 1 1 64 64 ASP HA H 64 5.463 5.463 5.125 0.338 19036 5203 1 8 . 1 1 64 64 ASP CA C 64 52.257 52.257 53.123 -0.866 19036 5204 1 8 . 1 1 64 64 ASP CB C 64 42.416 42.416 42.265 0.151 19036 5205 1 8 . 1 1 64 64 ASP H H 64 8.946 8.946 8.266 0.680 19036 5206 1 8 . 1 1 65 65 PHE N N 65 118.870 118.870 124.272 -5.402 19036 5207 1 8 . 1 1 65 65 PHE HA H 65 4.028 4.028 3.654 0.374 19036 5208 1 8 . 1 1 65 65 PHE CA C 65 63.404 63.404 62.521 0.883 19036 5209 1 8 . 1 1 65 65 PHE CB C 65 36.123 36.123 36.689 -0.566 19036 5210 1 8 . 1 1 65 65 PHE H H 65 9.000 9.000 8.475 0.525 19036 5211 1 8 . 1 1 66 66 PRO HA H 66 3.918 3.918 3.541 0.377 19036 5212 1 8 . 1 1 66 66 PRO CA C 66 66.799 66.799 65.707 1.093 19036 5213 1 8 . 1 1 66 66 PRO CB C 66 30.789 30.789 30.713 0.076 19036 5214 1 8 . 1 1 67 67 GLU N N 67 117.930 117.930 119.080 -1.150 19036 5215 1 8 . 1 1 67 67 GLU HA H 67 4.088 4.088 3.968 0.120 19036 5216 1 8 . 1 1 67 67 GLU CA C 67 58.965 58.965 59.228 -0.263 19036 5217 1 8 . 1 1 67 67 GLU CB C 67 29.677 29.677 29.219 0.458 19036 5218 1 8 . 1 1 67 67 GLU H H 67 8.185 8.185 7.788 0.397 19036 5219 1 8 . 1 1 68 68 PHE N N 68 123.830 123.830 121.159 2.671 19036 5220 1 8 . 1 1 68 68 PHE HA H 68 3.957 3.957 4.154 -0.197 19036 5221 1 8 . 1 1 68 68 PHE CA C 68 61.439 61.439 60.907 0.532 19036 5222 1 8 . 1 1 68 68 PHE CB C 68 40.429 40.429 39.219 1.210 19036 5223 1 8 . 1 1 68 68 PHE H H 68 8.794 8.794 8.089 0.705 19036 5224 1 8 . 1 1 69 69 LEU N N 69 119.410 119.410 119.345 0.065 19036 5225 1 8 . 1 1 69 69 LEU HA H 69 3.394 3.394 3.569 -0.175 19036 5226 1 8 . 1 1 69 69 LEU CA C 69 58.042 58.042 57.987 0.055 19036 5227 1 8 . 1 1 69 69 LEU CB C 69 41.246 41.246 41.142 0.104 19036 5228 1 8 . 1 1 69 69 LEU H H 69 8.662 8.662 8.154 0.508 19036 5229 1 8 . 1 1 70 70 THR N N 70 115.700 115.700 115.407 0.293 19036 5230 1 8 . 1 1 70 70 THR HA H 70 3.783 3.783 3.774 0.009 19036 5231 1 8 . 1 1 70 70 THR CA C 70 66.623 66.623 67.207 -0.583 19036 5232 1 8 . 1 1 70 70 THR CB C 70 68.592 68.592 68.412 0.180 19036 5233 1 8 . 1 1 70 70 THR H H 70 7.744 7.744 7.582 0.162 19036 5234 1 8 . 1 1 71 71 MET N N 71 121.350 121.350 121.103 0.247 19036 5235 1 8 . 1 1 71 71 MET HA H 71 3.889 3.889 3.944 -0.055 19036 5236 1 8 . 1 1 71 71 MET CA C 71 58.859 58.859 59.033 -0.174 19036 5237 1 8 . 1 1 71 71 MET CB C 71 32.676 32.676 32.464 0.212 19036 5238 1 8 . 1 1 71 71 MET H H 71 7.622 7.622 7.320 0.302 19036 5239 1 8 . 1 1 72 72 MET N N 72 117.390 117.390 116.362 1.028 19036 5240 1 8 . 1 1 72 72 MET HA H 72 3.973 3.973 3.936 0.037 19036 5241 1 8 . 1 1 72 72 MET CA C 72 56.030 56.030 57.455 -1.425 19036 5242 1 8 . 1 1 72 72 MET CB C 72 30.934 30.934 31.259 -0.325 19036 5243 1 8 . 1 1 72 72 MET H H 72 8.066 8.066 7.526 0.540 19036 5244 1 8 . 1 1 73 73 ALA N N 73 121.670 121.670 120.853 0.817 19036 5245 1 8 . 1 1 73 73 ALA HA H 73 4.103 4.103 4.127 -0.024 19036 5246 1 8 . 1 1 73 73 ALA CA C 73 54.517 54.517 54.121 0.396 19036 5247 1 8 . 1 1 73 73 ALA CB C 73 18.381 18.381 18.367 0.014 19036 5248 1 8 . 1 1 73 73 ALA H H 73 8.276 8.276 7.709 0.567 19036 5249 1 8 . 1 1 74 74 ARG N N 74 117.220 117.220 119.773 -2.553 19036 5250 1 8 . 1 1 74 74 ARG HA H 74 4.113 4.113 3.924 0.189 19036 5251 1 8 . 1 1 74 74 ARG CA C 74 58.327 58.327 59.267 -0.940 19036 5252 1 8 . 1 1 74 74 ARG CB C 74 30.378 30.378 29.854 0.524 19036 5253 1 8 . 1 1 74 74 ARG H H 74 7.539 7.539 8.165 -0.626 19036 5254 1 8 . 1 1 75 75 LYS N N 75 119.120 119.120 119.124 -0.004 19036 5255 1 8 . 1 1 75 75 LYS HA H 75 4.261 4.261 3.986 0.275 19036 5256 1 8 . 1 1 75 75 LYS CA C 75 56.990 56.990 59.064 -2.074 19036 5257 1 8 . 1 1 75 75 LYS CB C 75 32.412 32.412 31.907 0.505 19036 5258 1 8 . 1 1 75 75 LYS H H 75 7.833 7.833 7.353 0.480 19036 5259 1 8 . 1 1 76 76 MET N N 76 118.860 118.860 116.337 2.523 19036 5260 1 8 . 1 1 76 76 MET HA H 76 4.370 4.370 4.229 0.141 19036 5261 1 8 . 1 1 76 76 MET CA C 76 56.700 56.700 58.008 -1.308 19036 5262 1 8 . 1 1 76 76 MET CB C 76 32.981 32.981 32.577 0.404 19036 5263 1 8 . 1 1 76 76 MET H H 76 8.000 8.000 7.563 0.437 19036 5264 1 8 . 1 1 77 77 LYS N N 77 120.200 120.200 118.915 1.285 19036 5265 1 8 . 1 1 77 77 LYS HA H 77 4.352 4.352 4.148 0.204 19036 5266 1 8 . 1 1 77 77 LYS CA C 77 56.709 56.709 57.335 -0.626 19036 5267 1 8 . 1 1 77 77 LYS CB C 77 33.138 33.138 33.106 0.032 19036 5268 1 8 . 1 1 77 77 LYS H H 77 7.866 7.866 7.596 0.270 19036 5269 1 8 . 1 1 78 78 ASP N N 78 121.430 121.430 117.598 3.832 19036 5270 1 8 . 1 1 78 78 ASP HA H 78 4.691 4.691 4.380 0.311 19036 5271 1 8 . 1 1 78 78 ASP CA C 78 54.771 54.771 55.582 -0.811 19036 5272 1 8 . 1 1 78 78 ASP CB C 78 41.222 41.222 38.566 2.656 19036 5273 1 8 . 1 1 78 78 ASP H H 78 8.250 8.250 8.644 -0.394 19036 5274 1 8 . 1 1 79 79 THR N N 79 114.390 114.390 112.653 1.737 19036 5275 1 8 . 1 1 79 79 THR HA H 79 4.337 4.337 4.151 0.186 19036 5276 1 8 . 1 1 79 79 THR CA C 79 62.349 62.349 64.454 -2.105 19036 5277 1 8 . 1 1 79 79 THR CB C 79 69.875 69.875 69.054 0.821 19036 5278 1 8 . 1 1 79 79 THR H H 79 8.093 8.093 7.875 0.217 19036 5279 1 8 . 1 1 80 80 ASP N N 80 123.460 123.460 120.695 2.765 19036 5280 1 8 . 1 1 80 80 ASP HA H 80 4.721 4.721 4.540 0.181 19036 5281 1 8 . 1 1 80 80 ASP CA C 80 54.655 54.655 56.109 -1.454 19036 5282 1 8 . 1 1 80 80 ASP CB C 80 41.416 41.416 39.677 1.739 19036 5283 1 8 . 1 1 80 80 ASP H H 80 8.455 8.455 8.676 -0.221 19036 5284 1 8 . 1 1 81 81 SER N N 81 117.440 117.440 114.756 2.684 19036 5285 1 8 . 1 1 81 81 SER HA H 81 4.455 4.455 4.102 0.353 19036 5286 1 8 . 1 1 81 81 SER CA C 81 59.571 59.571 60.894 -1.323 19036 5287 1 8 . 1 1 81 81 SER CB C 81 63.825 63.825 62.628 1.197 19036 5288 1 8 . 1 1 81 81 SER H H 81 8.505 8.505 8.378 0.127 19036 5289 1 8 . 1 1 82 82 GLU N N 82 122.380 122.380 121.857 0.523 19036 5290 1 8 . 1 1 82 82 GLU HA H 82 4.185 4.185 3.927 0.258 19036 5291 1 8 . 1 1 82 82 GLU CA C 82 58.800 58.800 59.164 -0.365 19036 5292 1 8 . 1 1 82 82 GLU CB C 82 29.660 29.660 29.263 0.397 19036 5293 1 8 . 1 1 82 82 GLU H H 82 8.508 8.508 7.623 0.885 19036 5294 1 8 . 1 1 83 83 GLU N N 83 119.670 119.670 119.621 0.049 19036 5295 1 8 . 1 1 83 83 GLU HA H 83 4.085 4.085 4.065 0.020 19036 5296 1 8 . 1 1 83 83 GLU CA C 83 59.576 59.576 59.102 0.474 19036 5297 1 8 . 1 1 83 83 GLU CB C 83 29.410 29.410 29.671 -0.261 19036 5298 1 8 . 1 1 83 83 GLU H H 83 8.297 8.297 7.928 0.369 19036 5299 1 8 . 1 1 84 84 GLU N N 84 118.700 118.700 118.795 -0.095 19036 5300 1 8 . 1 1 84 84 GLU HA H 84 4.135 4.135 4.201 -0.066 19036 5301 1 8 . 1 1 84 84 GLU CA C 84 59.523 59.523 58.525 0.998 19036 5302 1 8 . 1 1 84 84 GLU CB C 84 29.607 29.607 29.542 0.065 19036 5303 1 8 . 1 1 84 84 GLU H H 84 8.218 8.218 7.488 0.730 19036 5304 1 8 . 1 1 85 85 ILE N N 85 121.500 121.500 120.201 1.299 19036 5305 1 8 . 1 1 85 85 ILE HA H 85 3.981 3.981 3.777 0.204 19036 5306 1 8 . 1 1 85 85 ILE CA C 85 64.941 64.941 65.659 -0.718 19036 5307 1 8 . 1 1 85 85 ILE CB C 85 37.484 37.484 37.627 -0.143 19036 5308 1 8 . 1 1 85 85 ILE H H 85 7.980 7.980 8.089 -0.109 19036 5309 1 8 . 1 1 86 86 ARG N N 86 121.710 121.710 118.269 3.441 19036 5310 1 8 . 1 1 86 86 ARG HA H 86 4.186 4.186 4.267 -0.081 19036 5311 1 8 . 1 1 86 86 ARG CA C 86 60.202 60.202 59.431 0.771 19036 5312 1 8 . 1 1 86 86 ARG CB C 86 30.026 30.026 29.927 0.099 19036 5313 1 8 . 1 1 86 86 ARG H H 86 8.471 8.471 7.912 0.559 19036 5314 1 8 . 1 1 87 87 GLU N N 87 118.710 118.710 119.959 -1.249 19036 5315 1 8 . 1 1 87 87 GLU HA H 87 4.179 4.179 4.154 0.025 19036 5316 1 8 . 1 1 87 87 GLU CA C 87 58.995 58.995 59.077 -0.082 19036 5317 1 8 . 1 1 87 87 GLU CB C 87 29.201 29.201 29.722 -0.521 19036 5318 1 8 . 1 1 87 87 GLU H H 87 8.211 8.211 7.713 0.498 19036 5319 1 8 . 1 1 88 88 ALA N N 88 121.910 121.910 121.660 0.250 19036 5320 1 8 . 1 1 88 88 ALA HA H 88 4.180 4.180 4.223 -0.043 19036 5321 1 8 . 1 1 88 88 ALA CA C 88 55.275 55.275 55.289 -0.014 19036 5322 1 8 . 1 1 88 88 ALA CB C 88 17.936 17.936 18.376 -0.440 19036 5323 1 8 . 1 1 88 88 ALA H H 88 8.037 8.037 8.344 -0.307 19036 5324 1 8 . 1 1 89 89 PHE N N 89 118.790 118.790 119.430 -0.640 19036 5325 1 8 . 1 1 89 89 PHE HA H 89 3.188 3.188 3.800 -0.612 19036 5326 1 8 . 1 1 89 89 PHE CA C 89 62.283 62.283 61.218 1.065 19036 5327 1 8 . 1 1 89 89 PHE CB C 89 39.238 39.238 39.072 0.166 19036 5328 1 8 . 1 1 89 89 PHE H H 89 8.623 8.623 7.872 0.751 19036 5329 1 8 . 1 1 90 90 ARG N N 90 115.890 115.890 119.305 -3.415 19036 5330 1 8 . 1 1 90 90 ARG HA H 90 3.906 3.906 4.150 -0.244 19036 5331 1 8 . 1 1 90 90 ARG CA C 90 58.950 58.950 59.639 -0.689 19036 5332 1 8 . 1 1 90 90 ARG CB C 90 30.414 30.414 30.125 0.289 19036 5333 1 8 . 1 1 90 90 ARG H H 90 7.775 7.775 7.901 -0.126 19036 5334 1 8 . 1 1 91 91 VAL N N 91 118.320 118.320 117.500 0.820 19036 5335 1 8 . 1 1 91 91 VAL HA H 91 3.515 3.515 3.770 -0.255 19036 5336 1 8 . 1 1 91 91 VAL CA C 91 65.726 65.726 64.765 0.961 19036 5337 1 8 . 1 1 91 91 VAL CB C 91 31.579 31.579 31.515 0.064 19036 5338 1 8 . 1 1 91 91 VAL H H 91 7.538 7.538 7.361 0.177 19036 5339 1 8 . 1 1 92 92 PHE N N 92 115.750 115.750 116.931 -1.181 19036 5340 1 8 . 1 1 92 92 PHE HA H 92 4.247 4.247 4.154 0.093 19036 5341 1 8 . 1 1 92 92 PHE CA C 92 60.241 60.241 60.794 -0.553 19036 5342 1 8 . 1 1 92 92 PHE CB C 92 40.951 40.951 39.233 1.718 19036 5343 1 8 . 1 1 92 92 PHE H H 92 7.381 7.381 7.791 -0.410 19036 5344 1 8 . 1 1 93 93 ASP N N 93 116.590 116.590 118.400 -1.810 19036 5345 1 8 . 1 1 93 93 ASP HA H 93 4.590 4.590 4.697 -0.107 19036 5346 1 8 . 1 1 93 93 ASP CA C 93 52.466 52.466 52.927 -0.461 19036 5347 1 8 . 1 1 93 93 ASP CB C 93 38.478 38.478 39.551 -1.073 19036 5348 1 8 . 1 1 93 93 ASP H H 93 7.900 7.900 7.980 -0.080 19036 5349 1 8 . 1 1 94 94 LYS N N 94 126.160 126.160 125.334 0.826 19036 5350 1 8 . 1 1 94 94 LYS HA H 94 3.945 3.945 3.979 -0.034 19036 5351 1 8 . 1 1 94 94 LYS CA C 94 59.072 59.072 58.545 0.527 19036 5352 1 8 . 1 1 94 94 LYS CB C 94 32.589 32.589 32.734 -0.145 19036 5353 1 8 . 1 1 94 94 LYS H H 94 7.790 7.790 7.922 -0.132 19036 5354 1 8 . 1 1 95 95 ASP N N 95 114.060 114.060 116.298 -2.238 19036 5355 1 8 . 1 1 95 95 ASP HA H 95 4.579 4.579 4.499 0.080 19036 5356 1 8 . 1 1 95 95 ASP CA C 95 53.120 53.120 54.879 -1.759 19036 5357 1 8 . 1 1 95 95 ASP CB C 95 40.043 40.043 40.701 -0.658 19036 5358 1 8 . 1 1 95 95 ASP H H 95 8.237 8.237 9.123 -0.886 19036 5359 1 8 . 1 1 96 96 GLY N N 96 109.410 109.410 108.067 1.343 19036 5360 1 8 . 1 1 96 96 GLY CA C 96 47.263 47.263 45.912 1.351 19036 5361 1 8 . 1 1 96 96 GLY H H 96 7.839 7.839 8.474 -0.635 19036 5362 1 8 . 1 1 97 97 ASN N N 97 119.630 119.630 120.186 -0.556 19036 5363 1 8 . 1 1 97 97 ASN HA H 97 4.659 4.659 4.645 0.014 19036 5364 1 8 . 1 1 97 97 ASN CA C 97 52.681 52.681 52.936 -0.255 19036 5365 1 8 . 1 1 97 97 ASN CB C 97 38.311 38.311 38.771 -0.460 19036 5366 1 8 . 1 1 97 97 ASN H H 97 8.377 8.377 8.259 0.118 19036 5367 1 8 . 1 1 98 98 GLY N N 98 112.970 112.970 107.235 5.735 19036 5368 1 8 . 1 1 98 98 GLY CA C 98 45.183 45.183 45.522 -0.339 19036 5369 1 8 . 1 1 98 98 GLY H H 98 10.687 10.687 8.620 2.067 19036 5370 1 8 . 1 1 99 99 TYR N N 99 116.080 116.080 118.650 -2.570 19036 5371 1 8 . 1 1 99 99 TYR HA H 99 5.065 5.065 5.189 -0.124 19036 5372 1 8 . 1 1 99 99 TYR CA C 99 56.198 56.198 57.116 -0.918 19036 5373 1 8 . 1 1 99 99 TYR CB C 99 43.110 43.110 41.882 1.228 19036 5374 1 8 . 1 1 99 99 TYR H H 99 7.671 7.671 8.554 -0.883 19036 5375 1 8 . 1 1 100 100 ILE N N 100 127.320 127.320 124.233 3.087 19036 5376 1 8 . 1 1 100 100 ILE HA H 100 4.780 4.780 4.623 0.157 19036 5377 1 8 . 1 1 100 100 ILE CA C 100 60.731 60.731 60.382 0.349 19036 5378 1 8 . 1 1 100 100 ILE CB C 100 39.050 39.050 39.298 -0.248 19036 5379 1 8 . 1 1 100 100 ILE H H 100 10.163 10.163 9.000 1.163 19036 5380 1 8 . 1 1 101 101 SER N N 101 123.810 123.810 122.954 0.856 19036 5381 1 8 . 1 1 101 101 SER HA H 101 4.898 4.898 4.880 0.018 19036 5382 1 8 . 1 1 101 101 SER CA C 101 55.840 55.840 56.381 -0.541 19036 5383 1 8 . 1 1 101 101 SER CB C 101 66.799 66.799 66.306 0.493 19036 5384 1 8 . 1 1 101 101 SER H H 101 8.970 8.970 8.098 0.872 19036 5385 1 8 . 1 1 102 102 ALA N N 102 123.130 123.130 124.340 -1.210 19036 5386 1 8 . 1 1 102 102 ALA HA H 102 3.927 3.927 3.974 -0.047 19036 5387 1 8 . 1 1 102 102 ALA CA C 102 56.023 56.023 55.117 0.906 19036 5388 1 8 . 1 1 102 102 ALA CB C 102 18.139 18.139 18.056 0.083 19036 5389 1 8 . 1 1 102 102 ALA H H 102 9.269 9.269 8.867 0.402 19036 5390 1 8 . 1 1 103 103 ALA N N 103 118.460 118.460 120.569 -2.109 19036 5391 1 8 . 1 1 103 103 ALA HA H 103 4.058 4.058 4.099 -0.041 19036 5392 1 8 . 1 1 103 103 ALA CA C 103 55.250 55.250 54.789 0.461 19036 5393 1 8 . 1 1 103 103 ALA CB C 103 18.492 18.492 18.108 0.384 19036 5394 1 8 . 1 1 103 103 ALA H H 103 8.294 8.294 8.462 -0.168 19036 5395 1 8 . 1 1 104 104 GLU N N 104 120.070 120.070 119.021 1.049 19036 5396 1 8 . 1 1 104 104 GLU HA H 104 4.073 4.073 4.026 0.047 19036 5397 1 8 . 1 1 104 104 GLU CA C 104 59.567 59.567 59.151 0.416 19036 5398 1 8 . 1 1 104 104 GLU CB C 104 29.262 29.262 29.498 -0.236 19036 5399 1 8 . 1 1 104 104 GLU H H 104 7.939 7.939 7.646 0.293 19036 5400 1 8 . 1 1 105 105 LEU N N 105 120.990 120.990 120.151 0.839 19036 5401 1 8 . 1 1 105 105 LEU HA H 105 4.133 4.133 4.083 0.050 19036 5402 1 8 . 1 1 105 105 LEU CA C 105 58.618 58.618 58.499 0.119 19036 5403 1 8 . 1 1 105 105 LEU CB C 105 42.210 42.210 41.978 0.232 19036 5404 1 8 . 1 1 105 105 LEU H H 105 8.534 8.534 7.555 0.979 19036 5405 1 8 . 1 1 106 106 ARG N N 106 117.580 117.580 118.225 -0.645 19036 5406 1 8 . 1 1 106 106 ARG HA H 106 3.832 3.832 3.984 -0.152 19036 5407 1 8 . 1 1 106 106 ARG CA C 106 60.041 60.041 59.573 0.468 19036 5408 1 8 . 1 1 106 106 ARG CB C 106 30.648 30.648 30.082 0.566 19036 5409 1 8 . 1 1 106 106 ARG H H 106 8.667 8.667 7.790 0.877 19036 5410 1 8 . 1 1 107 107 HIS N N 107 118.880 118.880 119.225 -0.345 19036 5411 1 8 . 1 1 107 107 HIS HA H 107 4.338 4.338 4.286 0.052 19036 5412 1 8 . 1 1 107 107 HIS CA C 107 59.771 59.771 58.777 0.994 19036 5413 1 8 . 1 1 107 107 HIS CB C 107 30.491 30.491 29.653 0.838 19036 5414 1 8 . 1 1 107 107 HIS H H 107 8.071 8.071 7.806 0.265 19036 5415 1 8 . 1 1 108 108 VAL N N 108 119.170 119.170 118.903 0.267 19036 5416 1 8 . 1 1 108 108 VAL HA H 108 3.556 3.556 3.458 0.098 19036 5417 1 8 . 1 1 108 108 VAL CA C 108 66.580 66.580 66.471 0.109 19036 5418 1 8 . 1 1 108 108 VAL CB C 108 31.920 31.920 31.271 0.649 19036 5419 1 8 . 1 1 108 108 VAL H H 108 8.107 8.107 7.698 0.409 19036 5420 1 8 . 1 1 109 109 MET N N 109 116.290 116.290 117.563 -1.273 19036 5421 1 8 . 1 1 109 109 MET HA H 109 4.326 4.326 4.093 0.233 19036 5422 1 8 . 1 1 109 109 MET CA C 109 57.824 57.824 59.425 -1.601 19036 5423 1 8 . 1 1 109 109 MET CB C 109 31.052 31.052 32.526 -1.474 19036 5424 1 8 . 1 1 109 109 MET H H 109 8.280 8.280 8.017 0.263 19036 5425 1 8 . 1 1 110 110 THR N N 110 115.190 115.190 116.166 -0.976 19036 5426 1 8 . 1 1 110 110 THR HA H 110 4.166 4.166 4.198 -0.032 19036 5427 1 8 . 1 1 110 110 THR CA C 110 66.182 66.182 66.686 -0.504 19036 5428 1 8 . 1 1 110 110 THR CB C 110 68.951 68.951 68.523 0.427 19036 5429 1 8 . 1 1 110 110 THR H H 110 8.244 8.244 7.926 0.318 19036 5430 1 8 . 1 1 111 111 ASN N N 111 122.310 122.310 119.945 2.365 19036 5431 1 8 . 1 1 111 111 ASN HA H 111 4.502 4.502 4.540 -0.038 19036 5432 1 8 . 1 1 111 111 ASN CA C 111 55.931 55.931 55.412 0.519 19036 5433 1 8 . 1 1 111 111 ASN CB C 111 38.585 38.585 38.020 0.565 19036 5434 1 8 . 1 1 111 111 ASN H H 111 7.904 7.904 7.882 0.022 19036 5435 1 8 . 1 1 112 112 LEU N N 112 118.850 118.850 118.320 0.530 19036 5436 1 8 . 1 1 112 112 LEU HA H 112 4.354 4.354 4.507 -0.153 19036 5437 1 8 . 1 1 112 112 LEU CA C 112 55.274 55.274 54.608 0.666 19036 5438 1 8 . 1 1 112 112 LEU CB C 112 42.218 42.218 41.740 0.478 19036 5439 1 8 . 1 1 112 112 LEU H H 112 7.873 7.873 7.347 0.526 19036 5440 1 8 . 1 1 113 113 GLY N N 113 106.700 106.700 108.003 -1.303 19036 5441 1 8 . 1 1 113 113 GLY CA C 113 45.596 45.596 45.097 0.499 19036 5442 1 8 . 1 1 113 113 GLY H H 113 7.844 7.844 7.726 0.118 19036 5443 1 8 . 1 1 114 114 GLU N N 114 120.140 120.140 121.426 -1.286 19036 5444 1 8 . 1 1 114 114 GLU HA H 114 4.459 4.459 4.502 -0.043 19036 5445 1 8 . 1 1 114 114 GLU CA C 114 55.046 55.046 55.313 -0.267 19036 5446 1 8 . 1 1 114 114 GLU CB C 114 30.469 30.469 31.399 -0.930 19036 5447 1 8 . 1 1 114 114 GLU H H 114 7.946 7.946 7.767 0.179 19036 5448 1 8 . 1 1 115 115 LYS N N 115 124.130 124.130 126.238 -2.108 19036 5449 1 8 . 1 1 115 115 LYS HA H 115 4.394 4.394 4.594 -0.200 19036 5450 1 8 . 1 1 115 115 LYS CA C 115 55.794 55.794 55.983 -0.189 19036 5451 1 8 . 1 1 115 115 LYS CB C 115 32.191 32.191 33.413 -1.222 19036 5452 1 8 . 1 1 115 115 LYS H H 115 8.646 8.646 8.642 0.004 19036 5453 1 8 . 1 1 116 116 LEU N N 116 124.840 124.840 126.647 -1.807 19036 5454 1 8 . 1 1 116 116 LEU HA H 116 4.793 4.793 4.813 -0.020 19036 5455 1 8 . 1 1 116 116 LEU CA C 116 54.127 54.127 52.880 1.247 19036 5456 1 8 . 1 1 116 116 LEU CB C 116 44.934 44.934 44.058 0.876 19036 5457 1 8 . 1 1 116 116 LEU H H 116 8.097 8.097 8.370 -0.273 19036 5458 1 8 . 1 1 117 117 THR N N 117 114.690 114.690 111.119 3.571 19036 5459 1 8 . 1 1 117 117 THR HA H 117 4.492 4.492 4.538 -0.046 19036 5460 1 8 . 1 1 117 117 THR CA C 117 60.751 60.751 60.757 -0.006 19036 5461 1 8 . 1 1 117 117 THR CB C 117 71.303 71.303 71.189 0.114 19036 5462 1 8 . 1 1 117 117 THR H H 117 9.252 9.252 7.904 1.348 19036 5463 1 8 . 1 1 118 118 ASP N N 118 121.130 121.130 122.545 -1.415 19036 5464 1 8 . 1 1 118 118 ASP HA H 118 4.232 4.232 4.305 -0.073 19036 5465 1 8 . 1 1 118 118 ASP CA C 118 58.080 58.080 57.361 0.719 19036 5466 1 8 . 1 1 118 118 ASP CB C 118 39.870 39.870 40.704 -0.834 19036 5467 1 8 . 1 1 118 118 ASP H H 118 8.936 8.936 8.913 0.023 19036 5468 1 8 . 1 1 119 119 GLU N N 119 119.110 119.110 118.983 0.127 19036 5469 1 8 . 1 1 119 119 GLU HA H 119 4.117 4.117 3.990 0.127 19036 5470 1 8 . 1 1 119 119 GLU CA C 119 60.043 60.043 59.387 0.656 19036 5471 1 8 . 1 1 119 119 GLU CB C 119 29.135 29.135 29.524 -0.389 19036 5472 1 8 . 1 1 119 119 GLU H H 119 8.715 8.715 8.563 0.152 19036 5473 1 8 . 1 1 120 120 GLU N N 120 120.680 120.680 118.710 1.970 19036 5474 1 8 . 1 1 120 120 GLU HA H 120 4.062 4.062 4.109 -0.047 19036 5475 1 8 . 1 1 120 120 GLU CA C 120 59.138 59.138 59.201 -0.063 19036 5476 1 8 . 1 1 120 120 GLU CB C 120 30.420 30.420 29.617 0.802 19036 5477 1 8 . 1 1 120 120 GLU H H 120 7.809 7.809 7.574 0.235 19036 5478 1 8 . 1 1 121 121 VAL N N 121 120.660 120.660 119.564 1.096 19036 5479 1 8 . 1 1 121 121 VAL HA H 121 3.637 3.637 3.807 -0.170 19036 5480 1 8 . 1 1 121 121 VAL CA C 121 67.003 67.003 65.348 1.655 19036 5481 1 8 . 1 1 121 121 VAL CB C 121 31.463 31.463 31.182 0.281 19036 5482 1 8 . 1 1 121 121 VAL H H 121 8.079 8.079 7.856 0.223 19036 5483 1 8 . 1 1 122 122 ASP N N 122 119.590 119.590 120.599 -1.009 19036 5484 1 8 . 1 1 122 122 ASP HA H 122 4.349 4.349 4.302 0.047 19036 5485 1 8 . 1 1 122 122 ASP CA C 122 57.718 57.718 57.755 -0.037 19036 5486 1 8 . 1 1 122 122 ASP CB C 122 40.593 40.593 40.760 -0.167 19036 5487 1 8 . 1 1 122 122 ASP H H 122 8.124 8.124 8.563 -0.439 19036 5488 1 8 . 1 1 123 123 GLU N N 123 119.760 119.760 119.375 0.385 19036 5489 1 8 . 1 1 123 123 GLU HA H 123 4.051 4.051 3.997 0.054 19036 5490 1 8 . 1 1 123 123 GLU CA C 123 59.144 59.144 59.105 0.039 19036 5491 1 8 . 1 1 123 123 GLU CB C 123 29.161 29.161 29.527 -0.366 19036 5492 1 8 . 1 1 123 123 GLU H H 123 8.034 8.034 7.916 0.118 19036 5493 1 8 . 1 1 124 124 MET N N 124 119.580 119.580 119.222 0.358 19036 5494 1 8 . 1 1 124 124 MET HA H 124 4.024 4.024 4.094 -0.070 19036 5495 1 8 . 1 1 124 124 MET CA C 124 59.353 59.353 59.639 -0.286 19036 5496 1 8 . 1 1 124 124 MET CB C 124 33.497 33.497 32.877 0.620 19036 5497 1 8 . 1 1 124 124 MET H H 124 7.871 7.871 7.338 0.533 19036 5498 1 8 . 1 1 125 125 ILE N N 125 118.210 118.210 119.358 -1.148 19036 5499 1 8 . 1 1 125 125 ILE HA H 125 3.524 3.524 3.640 -0.116 19036 5500 1 8 . 1 1 125 125 ILE CA C 125 63.855 63.855 65.036 -1.181 19036 5501 1 8 . 1 1 125 125 ILE CB C 125 36.457 36.457 37.221 -0.764 19036 5502 1 8 . 1 1 125 125 ILE H H 125 7.953 7.953 7.651 0.302 19036 5503 1 8 . 1 1 126 126 ARG N N 126 118.420 118.420 118.706 -0.286 19036 5504 1 8 . 1 1 126 126 ARG HA H 126 4.038 4.038 3.992 0.046 19036 5505 1 8 . 1 1 126 126 ARG CA C 126 59.809 59.809 59.544 0.265 19036 5506 1 8 . 1 1 126 126 ARG CB C 126 30.311 30.311 30.239 0.072 19036 5507 1 8 . 1 1 126 126 ARG H H 126 8.228 8.228 7.692 0.536 19036 5508 1 8 . 1 1 127 127 GLU N N 127 115.830 115.830 117.159 -1.329 19036 5509 1 8 . 1 1 127 127 GLU HA H 127 4.026 4.026 4.167 -0.141 19036 5510 1 8 . 1 1 127 127 GLU CA C 127 58.489 58.489 58.462 0.026 19036 5511 1 8 . 1 1 127 127 GLU CB C 127 29.435 29.435 29.975 -0.540 19036 5512 1 8 . 1 1 127 127 GLU H H 127 7.950 7.950 7.926 0.024 19036 5513 1 8 . 1 1 128 128 ALA N N 128 119.010 119.010 119.240 -0.230 19036 5514 1 8 . 1 1 128 128 ALA HA H 128 4.444 4.444 4.336 0.108 19036 5515 1 8 . 1 1 128 128 ALA CA C 128 52.125 52.125 52.159 -0.034 19036 5516 1 8 . 1 1 128 128 ALA CB C 128 21.322 21.322 19.757 1.565 19036 5517 1 8 . 1 1 128 128 ALA H H 128 7.386 7.386 7.644 -0.258 19036 5518 1 8 . 1 1 129 129 ASP N N 129 117.790 117.790 119.056 -1.266 19036 5519 1 8 . 1 1 129 129 ASP HA H 129 4.516 4.516 4.856 -0.340 19036 5520 1 8 . 1 1 129 129 ASP CA C 129 54.190 54.190 53.977 0.212 19036 5521 1 8 . 1 1 129 129 ASP CB C 129 40.587 40.587 39.899 0.688 19036 5522 1 8 . 1 1 129 129 ASP H H 129 7.913 7.913 7.749 0.164 19036 5523 1 8 . 1 1 130 130 ILE N N 130 127.770 127.770 126.140 1.630 19036 5524 1 8 . 1 1 130 130 ILE HA H 130 3.938 3.938 4.070 -0.132 19036 5525 1 8 . 1 1 130 130 ILE CA C 130 63.431 63.431 62.818 0.613 19036 5526 1 8 . 1 1 130 130 ILE CB C 130 38.748 38.748 38.320 0.428 19036 5527 1 8 . 1 1 130 130 ILE H H 130 8.332 8.332 8.504 -0.172 19036 5528 1 8 . 1 1 131 131 ASP N N 131 116.680 116.680 119.810 -3.130 19036 5529 1 8 . 1 1 131 131 ASP HA H 131 4.493 4.493 4.591 -0.098 19036 5530 1 8 . 1 1 131 131 ASP CA C 131 53.734 53.734 54.454 -0.720 19036 5531 1 8 . 1 1 131 131 ASP CB C 131 40.062 40.062 40.957 -0.895 19036 5532 1 8 . 1 1 131 131 ASP H H 131 8.371 8.371 9.092 -0.721 19036 5533 1 8 . 1 1 132 132 GLY N N 132 108.680 108.680 108.859 -0.179 19036 5534 1 8 . 1 1 132 132 GLY CA C 132 47.587 47.587 45.372 2.215 19036 5535 1 8 . 1 1 132 132 GLY H H 132 7.636 7.636 8.099 -0.463 19036 5536 1 8 . 1 1 133 133 ASP N N 133 120.930 120.930 120.767 0.163 19036 5537 1 8 . 1 1 133 133 ASP HA H 133 4.530 4.530 4.553 -0.023 19036 5538 1 8 . 1 1 133 133 ASP CA C 133 53.845 53.845 53.583 0.262 19036 5539 1 8 . 1 1 133 133 ASP CB C 133 40.322 40.322 40.897 -0.575 19036 5540 1 8 . 1 1 133 133 ASP H H 133 8.378 8.378 8.770 -0.392 19036 5541 1 8 . 1 1 134 134 GLY N N 134 112.990 112.990 108.203 4.787 19036 5542 1 8 . 1 1 134 134 GLY CA C 134 45.855 45.855 45.391 0.464 19036 5543 1 8 . 1 1 134 134 GLY H H 134 10.401 10.401 7.962 2.439 19036 5544 1 8 . 1 1 135 135 GLN N N 135 115.490 115.490 117.565 -2.075 19036 5545 1 8 . 1 1 135 135 GLN HA H 135 4.887 4.887 4.720 0.167 19036 5546 1 8 . 1 1 135 135 GLN CA C 135 53.289 53.289 54.161 -0.872 19036 5547 1 8 . 1 1 135 135 GLN CB C 135 32.515 32.515 32.702 -0.187 19036 5548 1 8 . 1 1 135 135 GLN H H 135 8.007 8.007 8.731 -0.724 19036 5549 1 8 . 1 1 136 136 VAL N N 136 125.480 125.480 122.033 3.447 19036 5550 1 8 . 1 1 136 136 VAL HA H 136 5.213 5.213 4.707 0.506 19036 5551 1 8 . 1 1 136 136 VAL CA C 136 61.784 61.784 60.354 1.430 19036 5552 1 8 . 1 1 136 136 VAL CB C 136 33.839 33.839 31.494 2.345 19036 5553 1 8 . 1 1 136 136 VAL H H 136 9.167 9.167 8.179 0.988 19036 5554 1 8 . 1 1 137 137 ASN N N 137 129.140 129.140 125.631 3.509 19036 5555 1 8 . 1 1 137 137 ASN HA H 137 5.288 5.288 5.123 0.165 19036 5556 1 8 . 1 1 137 137 ASN CA C 137 51.176 51.176 50.960 0.216 19036 5557 1 8 . 1 1 137 137 ASN CB C 137 38.446 38.446 40.158 -1.712 19036 5558 1 8 . 1 1 137 137 ASN H H 137 9.576 9.576 8.001 1.575 19036 5559 1 8 . 1 1 138 138 TYR N N 138 118.600 118.600 120.972 -2.372 19036 5560 1 8 . 1 1 138 138 TYR HA H 138 3.456 3.456 4.154 -0.698 19036 5561 1 8 . 1 1 138 138 TYR CA C 138 62.842 62.842 63.392 -0.550 19036 5562 1 8 . 1 1 138 138 TYR CB C 138 37.805 37.805 37.959 -0.154 19036 5563 1 8 . 1 1 138 138 TYR H H 138 8.464 8.464 8.835 -0.371 19036 5564 1 8 . 1 1 139 139 GLU N N 139 118.470 118.470 118.901 -0.431 19036 5565 1 8 . 1 1 139 139 GLU HA H 139 3.686 3.686 3.967 -0.281 19036 5566 1 8 . 1 1 139 139 GLU CA C 139 60.456 60.456 60.247 0.209 19036 5567 1 8 . 1 1 139 139 GLU CB C 139 29.008 29.008 28.742 0.266 19036 5568 1 8 . 1 1 139 139 GLU H H 139 8.152 8.152 8.842 -0.690 19036 5569 1 8 . 1 1 140 140 GLU N N 140 119.970 119.970 119.843 0.127 19036 5570 1 8 . 1 1 140 140 GLU HA H 140 4.025 4.025 4.105 -0.080 19036 5571 1 8 . 1 1 140 140 GLU CA C 140 58.655 58.655 59.076 -0.421 19036 5572 1 8 . 1 1 140 140 GLU CB C 140 29.868 29.868 29.464 0.404 19036 5573 1 8 . 1 1 140 140 GLU H H 140 8.815 8.815 8.276 0.539 19036 5574 1 8 . 1 1 141 141 PHE N N 141 124.860 124.860 121.769 3.091 19036 5575 1 8 . 1 1 141 141 PHE HA H 141 4.000 4.000 4.213 -0.213 19036 5576 1 8 . 1 1 141 141 PHE CA C 141 61.733 61.733 61.301 0.432 19036 5577 1 8 . 1 1 141 141 PHE CB C 141 40.089 40.089 39.198 0.891 19036 5578 1 8 . 1 1 141 141 PHE H H 141 8.927 8.927 8.763 0.164 19036 5579 1 8 . 1 1 142 142 VAL N N 142 119.400 119.400 118.883 0.517 19036 5580 1 8 . 1 1 142 142 VAL HA H 142 3.152 3.152 3.463 -0.311 19036 5581 1 8 . 1 1 142 142 VAL CA C 142 67.139 67.139 65.380 1.759 19036 5582 1 8 . 1 1 142 142 VAL CB C 142 31.622 31.622 31.186 0.436 19036 5583 1 8 . 1 1 142 142 VAL H H 142 8.635 8.635 8.665 -0.030 19036 5584 1 8 . 1 1 143 143 GLN N N 143 118.420 118.420 119.131 -0.711 19036 5585 1 8 . 1 1 143 143 GLN HA H 143 3.902 3.902 4.050 -0.148 19036 5586 1 8 . 1 1 143 143 GLN CA C 143 58.894 58.894 58.136 0.758 19036 5587 1 8 . 1 1 143 143 GLN CB C 143 28.186 28.186 28.425 -0.239 19036 5588 1 8 . 1 1 143 143 GLN H H 143 7.516 7.516 8.085 -0.569 19036 5589 1 8 . 1 1 144 144 MET N N 144 119.410 119.410 119.043 0.367 19036 5590 1 8 . 1 1 144 144 MET HA H 144 4.113 4.113 4.114 -0.001 19036 5591 1 8 . 1 1 144 144 MET CA C 144 58.360 58.360 58.573 -0.213 19036 5592 1 8 . 1 1 144 144 MET CB C 144 33.188 33.188 32.839 0.349 19036 5593 1 8 . 1 1 144 144 MET H H 144 7.867 7.867 8.369 -0.502 19036 5594 1 8 . 1 1 145 145 MET N N 145 114.770 114.770 112.428 2.342 19036 5595 1 8 . 1 1 145 145 MET HA H 145 4.263 4.263 4.479 -0.216 19036 5596 1 8 . 1 1 145 145 MET CA C 145 55.607 55.607 54.443 1.164 19036 5597 1 8 . 1 1 145 145 MET CB C 145 32.224 32.224 32.076 0.148 19036 5598 1 8 . 1 1 145 145 MET H H 145 7.796 7.796 7.410 0.386 19036 5599 1 8 . 1 1 146 146 THR N N 146 111.500 111.500 117.523 -6.023 19036 5600 1 8 . 1 1 146 146 THR HA H 146 4.325 4.325 4.328 -0.003 19036 5601 1 8 . 1 1 146 146 THR CA C 146 62.420 62.420 61.813 0.607 19036 5602 1 8 . 1 1 146 146 THR CB C 146 70.327 70.327 67.532 2.795 19036 5603 1 8 . 1 1 146 146 THR H H 146 7.591 7.591 7.399 0.192 19036 5604 1 8 . 1 1 147 147 ALA N N 147 127.110 127.110 124.386 2.724 19036 5605 1 8 . 1 1 147 147 ALA HA H 147 4.319 4.319 4.623 -0.304 19036 5606 1 8 . 1 1 147 147 ALA CA C 147 52.991 52.991 51.200 1.791 19036 5607 1 8 . 1 1 147 147 ALA CB C 147 19.162 19.162 20.575 -1.413 19036 5608 1 8 . 1 1 147 147 ALA H H 147 7.827 7.827 7.493 0.334 19036 5609 1 9 . 1 1 2 2 ASP HA H 2 4.654 4.654 4.525 0.129 19036 5610 1 9 . 1 1 2 2 ASP CA C 2 54.799 54.799 54.882 -0.083 19036 5611 1 9 . 1 1 2 2 ASP CB C 2 41.496 41.496 41.206 0.290 19036 5612 1 9 . 1 1 3 3 GLN N N 3 119.900 119.900 118.947 0.953 19036 5613 1 9 . 1 1 3 3 GLN HA H 3 4.399 4.399 4.426 -0.027 19036 5614 1 9 . 1 1 3 3 GLN CA C 3 55.646 55.646 54.614 1.032 19036 5615 1 9 . 1 1 3 3 GLN CB C 3 29.996 29.996 31.098 -1.102 19036 5616 1 9 . 1 1 3 3 GLN H H 3 8.385 8.385 7.753 0.632 19036 5617 1 9 . 1 1 4 4 LEU N N 4 123.270 123.270 123.674 -0.404 19036 5618 1 9 . 1 1 4 4 LEU HA H 4 4.681 4.681 4.331 0.350 19036 5619 1 9 . 1 1 4 4 LEU CA C 4 54.516 54.516 55.012 -0.496 19036 5620 1 9 . 1 1 4 4 LEU CB C 4 43.666 43.666 42.950 0.716 19036 5621 1 9 . 1 1 4 4 LEU H H 4 8.351 8.351 8.313 0.038 19036 5622 1 9 . 1 1 5 5 THR N N 5 113.150 113.150 115.072 -1.922 19036 5623 1 9 . 1 1 5 5 THR HA H 5 4.479 4.479 4.626 -0.147 19036 5624 1 9 . 1 1 5 5 THR CA C 5 60.553 60.553 60.798 -0.245 19036 5625 1 9 . 1 1 5 5 THR CB C 5 71.232 71.232 71.857 -0.625 19036 5626 1 9 . 1 1 5 5 THR H H 5 8.764 8.764 8.227 0.537 19036 5627 1 9 . 1 1 6 6 GLU N N 6 120.490 120.490 122.929 -2.439 19036 5628 1 9 . 1 1 6 6 GLU HA H 6 3.994 3.994 3.942 0.052 19036 5629 1 9 . 1 1 6 6 GLU CA C 6 60.091 60.091 59.916 0.175 19036 5630 1 9 . 1 1 6 6 GLU CB C 6 29.307 29.307 29.626 -0.319 19036 5631 1 9 . 1 1 6 6 GLU H H 6 9.066 9.066 9.012 0.054 19036 5632 1 9 . 1 1 7 7 GLU N N 7 119.640 119.640 118.772 0.868 19036 5633 1 9 . 1 1 7 7 GLU HA H 7 4.081 4.081 4.020 0.061 19036 5634 1 9 . 1 1 7 7 GLU CA C 7 60.055 60.055 58.931 1.124 19036 5635 1 9 . 1 1 7 7 GLU CB C 7 29.194 29.194 29.072 0.122 19036 5636 1 9 . 1 1 7 7 GLU H H 7 8.769 8.769 8.620 0.149 19036 5637 1 9 . 1 1 8 8 GLN N N 8 120.420 120.420 118.554 1.866 19036 5638 1 9 . 1 1 8 8 GLN HA H 8 3.857 3.857 3.968 -0.111 19036 5639 1 9 . 1 1 8 8 GLN CA C 8 58.691 58.691 58.459 0.232 19036 5640 1 9 . 1 1 8 8 GLN CB C 8 29.295 29.295 28.590 0.705 19036 5641 1 9 . 1 1 8 8 GLN H H 8 7.779 7.779 7.463 0.316 19036 5642 1 9 . 1 1 9 9 ILE N N 9 119.530 119.530 119.646 -0.116 19036 5643 1 9 . 1 1 9 9 ILE HA H 9 3.699 3.699 3.625 0.074 19036 5644 1 9 . 1 1 9 9 ILE CA C 9 66.284 66.284 64.738 1.546 19036 5645 1 9 . 1 1 9 9 ILE CB C 9 37.882 37.882 37.784 0.098 19036 5646 1 9 . 1 1 9 9 ILE H H 9 8.391 8.391 7.355 1.036 19036 5647 1 9 . 1 1 10 10 ALA N N 10 121.270 121.270 121.713 -0.443 19036 5648 1 9 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.923 0.217 19036 5649 1 9 . 1 1 10 10 ALA CA C 10 55.569 55.569 55.269 0.300 19036 5650 1 9 . 1 1 10 10 ALA CB C 10 17.977 17.977 17.782 0.195 19036 5651 1 9 . 1 1 10 10 ALA H H 10 8.040 8.040 7.634 0.406 19036 5652 1 9 . 1 1 11 11 GLU N N 11 119.830 119.830 119.088 0.742 19036 5653 1 9 . 1 1 11 11 GLU HA H 11 4.159 4.159 3.977 0.182 19036 5654 1 9 . 1 1 11 11 GLU CA C 11 59.438 59.438 59.372 0.066 19036 5655 1 9 . 1 1 11 11 GLU CB C 11 29.098 29.098 29.466 -0.368 19036 5656 1 9 . 1 1 11 11 GLU H H 11 7.841 7.841 7.457 0.384 19036 5657 1 9 . 1 1 12 12 PHE N N 12 120.250 120.250 116.907 3.343 19036 5658 1 9 . 1 1 12 12 PHE HA H 12 5.033 5.033 4.745 0.288 19036 5659 1 9 . 1 1 12 12 PHE CA C 12 59.113 59.113 57.212 1.901 19036 5660 1 9 . 1 1 12 12 PHE CB C 12 37.727 37.727 38.458 -0.731 19036 5661 1 9 . 1 1 12 12 PHE H H 12 8.641 8.641 7.278 1.363 19036 5662 1 9 . 1 1 13 13 LYS N N 13 123.680 123.680 121.857 1.823 19036 5663 1 9 . 1 1 13 13 LYS HA H 13 4.038 4.038 4.014 0.024 19036 5664 1 9 . 1 1 13 13 LYS CA C 13 60.228 60.228 60.420 -0.192 19036 5665 1 9 . 1 1 13 13 LYS CB C 13 32.020 32.020 32.191 -0.171 19036 5666 1 9 . 1 1 13 13 LYS H H 13 9.273 9.273 8.223 1.050 19036 5667 1 9 . 1 1 14 14 GLU N N 14 120.480 120.480 119.192 1.288 19036 5668 1 9 . 1 1 14 14 GLU HA H 14 4.150 4.150 4.084 0.066 19036 5669 1 9 . 1 1 14 14 GLU CA C 14 59.283 59.283 59.135 0.148 19036 5670 1 9 . 1 1 14 14 GLU CB C 14 29.163 29.163 29.313 -0.150 19036 5671 1 9 . 1 1 14 14 GLU H H 14 7.873 7.873 7.696 0.177 19036 5672 1 9 . 1 1 15 15 ALA N N 15 122.590 122.590 121.733 0.857 19036 5673 1 9 . 1 1 15 15 ALA HA H 15 4.285 4.285 4.156 0.129 19036 5674 1 9 . 1 1 15 15 ALA CA C 15 55.370 55.370 54.969 0.401 19036 5675 1 9 . 1 1 15 15 ALA CB C 15 18.190 18.190 18.636 -0.446 19036 5676 1 9 . 1 1 15 15 ALA H H 15 8.045 8.045 7.600 0.445 19036 5677 1 9 . 1 1 16 16 PHE N N 16 119.110 119.110 119.276 -0.166 19036 5678 1 9 . 1 1 16 16 PHE HA H 16 3.314 3.314 3.932 -0.618 19036 5679 1 9 . 1 1 16 16 PHE CA C 16 62.091 62.091 60.385 1.706 19036 5680 1 9 . 1 1 16 16 PHE CB C 16 39.813 39.813 39.271 0.542 19036 5681 1 9 . 1 1 16 16 PHE H H 16 8.804 8.804 8.392 0.412 19036 5682 1 9 . 1 1 17 17 SER N N 17 113.200 113.200 113.887 -0.687 19036 5683 1 9 . 1 1 17 17 SER HA H 17 4.139 4.139 3.941 0.198 19036 5684 1 9 . 1 1 17 17 SER CA C 17 61.542 61.542 60.704 0.838 19036 5685 1 9 . 1 1 17 17 SER CB C 17 63.424 63.424 63.215 0.209 19036 5686 1 9 . 1 1 17 17 SER H H 17 8.083 8.083 7.940 0.143 19036 5687 1 9 . 1 1 18 18 LEU N N 18 120.840 120.840 121.088 -0.248 19036 5688 1 9 . 1 1 18 18 LEU HA H 18 3.981 3.981 3.994 -0.013 19036 5689 1 9 . 1 1 18 18 LEU CA C 18 57.258 57.258 57.212 0.046 19036 5690 1 9 . 1 1 18 18 LEU CB C 18 41.565 41.565 42.096 -0.531 19036 5691 1 9 . 1 1 18 18 LEU H H 18 7.436 7.436 7.320 0.116 19036 5692 1 9 . 1 1 19 19 PHE N N 19 114.020 114.020 114.240 -0.220 19036 5693 1 9 . 1 1 19 19 PHE HA H 19 4.237 4.237 4.162 0.075 19036 5694 1 9 . 1 1 19 19 PHE CA C 19 59.258 59.258 59.949 -0.691 19036 5695 1 9 . 1 1 19 19 PHE CB C 19 41.732 41.732 39.122 2.610 19036 5696 1 9 . 1 1 19 19 PHE H H 19 7.180 7.180 7.389 -0.209 19036 5697 1 9 . 1 1 20 20 ASP N N 20 117.440 117.440 118.531 -1.091 19036 5698 1 9 . 1 1 20 20 ASP HA H 20 4.579 4.579 4.671 -0.092 19036 5699 1 9 . 1 1 20 20 ASP CA C 20 52.295 52.295 52.571 -0.276 19036 5700 1 9 . 1 1 20 20 ASP CB C 20 39.167 39.167 39.233 -0.065 19036 5701 1 9 . 1 1 20 20 ASP H H 20 7.844 7.844 7.469 0.375 19036 5702 1 9 . 1 1 21 21 LYS N N 21 124.410 124.410 124.092 0.318 19036 5703 1 9 . 1 1 21 21 LYS HA H 21 3.990 3.990 3.972 0.018 19036 5704 1 9 . 1 1 21 21 LYS CA C 21 58.379 58.379 58.550 -0.171 19036 5705 1 9 . 1 1 21 21 LYS CB C 21 32.623 32.623 32.427 0.196 19036 5706 1 9 . 1 1 21 21 LYS H H 21 7.728 7.728 7.863 -0.135 19036 5707 1 9 . 1 1 22 22 ASP N N 22 114.060 114.060 117.724 -3.664 19036 5708 1 9 . 1 1 22 22 ASP HA H 22 4.625 4.625 4.468 0.157 19036 5709 1 9 . 1 1 22 22 ASP CA C 22 52.921 52.921 55.830 -2.909 19036 5710 1 9 . 1 1 22 22 ASP CB C 22 39.728 39.728 40.915 -1.187 19036 5711 1 9 . 1 1 22 22 ASP H H 22 8.095 8.095 8.815 -0.720 19036 5712 1 9 . 1 1 23 23 GLY N N 23 109.390 109.390 107.543 1.847 19036 5713 1 9 . 1 1 23 23 GLY CA C 23 47.250 47.250 45.988 1.262 19036 5714 1 9 . 1 1 23 23 GLY H H 23 7.717 7.717 7.876 -0.159 19036 5715 1 9 . 1 1 24 24 ASP N N 24 120.860 120.860 120.710 0.150 19036 5716 1 9 . 1 1 24 24 ASP HA H 24 4.564 4.564 4.614 -0.050 19036 5717 1 9 . 1 1 24 24 ASP CA C 24 53.918 53.918 52.995 0.923 19036 5718 1 9 . 1 1 24 24 ASP CB C 24 40.569 40.569 40.089 0.480 19036 5719 1 9 . 1 1 24 24 ASP H H 24 8.472 8.472 8.113 0.359 19036 5720 1 9 . 1 1 25 25 GLY N N 25 113.090 113.090 108.874 4.216 19036 5721 1 9 . 1 1 25 25 GLY CA C 25 45.542 45.542 45.665 -0.123 19036 5722 1 9 . 1 1 25 25 GLY H H 25 10.619 10.619 8.231 2.388 19036 5723 1 9 . 1 1 26 26 THR N N 26 112.600 112.600 111.243 1.357 19036 5724 1 9 . 1 1 26 26 THR HA H 26 5.391 5.391 5.255 0.136 19036 5725 1 9 . 1 1 26 26 THR CA C 26 59.883 59.883 59.854 0.029 19036 5726 1 9 . 1 1 26 26 THR CB C 26 72.786 72.786 72.123 0.663 19036 5727 1 9 . 1 1 26 26 THR H H 26 8.211 8.211 8.635 -0.424 19036 5728 1 9 . 1 1 27 27 ILE N N 27 126.830 126.830 123.792 3.038 19036 5729 1 9 . 1 1 27 27 ILE HA H 27 4.895 4.895 4.485 0.410 19036 5730 1 9 . 1 1 27 27 ILE CA C 27 60.856 60.856 60.388 0.468 19036 5731 1 9 . 1 1 27 27 ILE CB C 27 39.926 39.926 39.639 0.287 19036 5732 1 9 . 1 1 27 27 ILE H H 27 9.876 9.876 8.349 1.527 19036 5733 1 9 . 1 1 28 28 THR N N 28 116.500 116.500 116.927 -0.427 19036 5734 1 9 . 1 1 28 28 THR HA H 28 4.811 4.811 4.926 -0.115 19036 5735 1 9 . 1 1 28 28 THR CA C 28 59.216 59.216 59.723 -0.507 19036 5736 1 9 . 1 1 28 28 THR CB C 28 72.541 72.541 71.909 0.632 19036 5737 1 9 . 1 1 28 28 THR H H 28 8.439 8.439 9.321 -0.882 19036 5738 1 9 . 1 1 29 29 THR N N 29 112.850 112.850 114.266 -1.416 19036 5739 1 9 . 1 1 29 29 THR HA H 29 3.807 3.807 3.895 -0.088 19036 5740 1 9 . 1 1 29 29 THR CA C 29 66.516 66.516 66.469 0.047 19036 5741 1 9 . 1 1 29 29 THR CB C 29 68.018 68.018 68.516 -0.498 19036 5742 1 9 . 1 1 29 29 THR H H 29 9.238 9.238 9.012 0.226 19036 5743 1 9 . 1 1 30 30 LYS N N 30 121.130 121.130 123.161 -2.031 19036 5744 1 9 . 1 1 30 30 LYS HA H 30 4.170 4.170 4.003 0.167 19036 5745 1 9 . 1 1 30 30 LYS CA C 30 59.377 59.377 59.659 -0.282 19036 5746 1 9 . 1 1 30 30 LYS CB C 30 32.823 32.823 32.069 0.754 19036 5747 1 9 . 1 1 30 30 LYS H H 30 7.688 7.688 8.294 -0.606 19036 5748 1 9 . 1 1 31 31 GLU N N 31 121.920 121.920 119.626 2.294 19036 5749 1 9 . 1 1 31 31 GLU HA H 31 4.062 4.062 4.034 0.028 19036 5750 1 9 . 1 1 31 31 GLU CA C 31 59.579 59.579 59.385 0.195 19036 5751 1 9 . 1 1 31 31 GLU CB C 31 29.837 29.837 29.679 0.158 19036 5752 1 9 . 1 1 31 31 GLU H H 31 7.783 7.783 7.523 0.260 19036 5753 1 9 . 1 1 32 32 LEU N N 32 120.570 120.570 120.842 -0.272 19036 5754 1 9 . 1 1 32 32 LEU HA H 32 4.145 4.145 4.085 0.060 19036 5755 1 9 . 1 1 32 32 LEU CA C 32 58.321 58.321 58.068 0.253 19036 5756 1 9 . 1 1 32 32 LEU CB C 32 42.697 42.697 42.097 0.600 19036 5757 1 9 . 1 1 32 32 LEU H H 32 8.705 8.705 8.040 0.665 19036 5758 1 9 . 1 1 33 33 GLY N N 33 105.720 105.720 105.972 -0.252 19036 5759 1 9 . 1 1 33 33 GLY H H 33 8.753 8.753 8.338 0.415 19036 5760 1 9 . 1 1 34 34 THR N N 34 118.370 118.370 119.059 -0.689 19036 5761 1 9 . 1 1 34 34 THR HA H 34 3.961 3.961 3.912 0.049 19036 5762 1 9 . 1 1 34 34 THR CA C 34 67.097 67.097 67.643 -0.546 19036 5763 1 9 . 1 1 34 34 THR CB C 34 68.869 68.869 68.752 0.117 19036 5764 1 9 . 1 1 34 34 THR H H 34 8.071 8.071 7.835 0.236 19036 5765 1 9 . 1 1 35 35 VAL N N 35 122.170 122.170 121.977 0.193 19036 5766 1 9 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.744 -0.135 19036 5767 1 9 . 1 1 35 35 VAL CA C 35 66.538 66.538 65.155 1.383 19036 5768 1 9 . 1 1 35 35 VAL CB C 35 31.589 31.589 31.776 -0.187 19036 5769 1 9 . 1 1 35 35 VAL H H 35 7.738 7.738 7.491 0.247 19036 5770 1 9 . 1 1 36 36 MET N N 36 118.620 118.620 118.877 -0.257 19036 5771 1 9 . 1 1 36 36 MET HA H 36 4.043 4.043 4.124 -0.081 19036 5772 1 9 . 1 1 36 36 MET CA C 36 59.594 59.594 58.698 0.896 19036 5773 1 9 . 1 1 36 36 MET CB C 36 31.850 31.850 32.499 -0.649 19036 5774 1 9 . 1 1 36 36 MET H H 36 8.559 8.559 8.601 -0.042 19036 5775 1 9 . 1 1 37 37 ARG N N 37 118.920 118.920 119.024 -0.104 19036 5776 1 9 . 1 1 37 37 ARG HA H 37 4.798 4.798 4.220 0.578 19036 5777 1 9 . 1 1 37 37 ARG CA C 37 59.518 59.518 59.518 -0.000 19036 5778 1 9 . 1 1 37 37 ARG CB C 37 30.189 30.189 30.011 0.178 19036 5779 1 9 . 1 1 37 37 ARG H H 37 8.638 8.638 8.574 0.064 19036 5780 1 9 . 1 1 38 38 SER N N 38 119.000 119.000 114.884 4.116 19036 5781 1 9 . 1 1 38 38 SER HA H 38 4.420 4.420 4.165 0.255 19036 5782 1 9 . 1 1 38 38 SER CA C 38 61.682 61.682 60.993 0.689 19036 5783 1 9 . 1 1 38 38 SER CB C 38 62.890 62.890 63.005 -0.115 19036 5784 1 9 . 1 1 38 38 SER H H 38 7.994 7.994 7.677 0.317 19036 5785 1 9 . 1 1 39 39 LEU N N 39 120.790 120.790 121.906 -1.116 19036 5786 1 9 . 1 1 39 39 LEU HA H 39 4.498 4.498 4.189 0.309 19036 5787 1 9 . 1 1 39 39 LEU CA C 39 54.405 54.405 55.004 -0.599 19036 5788 1 9 . 1 1 39 39 LEU CB C 39 41.979 41.979 41.904 0.075 19036 5789 1 9 . 1 1 39 39 LEU H H 39 7.426 7.426 7.426 0.000 19036 5790 1 9 . 1 1 40 40 GLY N N 40 106.830 106.830 107.346 -0.516 19036 5791 1 9 . 1 1 40 40 GLY CA C 40 45.713 45.713 45.300 0.414 19036 5792 1 9 . 1 1 40 40 GLY H H 40 7.896 7.896 7.753 0.143 19036 5793 1 9 . 1 1 41 41 GLN N N 41 118.330 118.330 119.079 -0.749 19036 5794 1 9 . 1 1 41 41 GLN HA H 41 4.503 4.503 4.521 -0.018 19036 5795 1 9 . 1 1 41 41 GLN CA C 41 54.585 54.585 54.589 -0.004 19036 5796 1 9 . 1 1 41 41 GLN CB C 41 30.591 30.591 31.912 -1.321 19036 5797 1 9 . 1 1 41 41 GLN H H 41 7.865 7.865 7.634 0.231 19036 5798 1 9 . 1 1 42 42 ASN N N 42 116.490 116.490 117.937 -1.447 19036 5799 1 9 . 1 1 42 42 ASN HA H 42 5.214 5.214 5.055 0.159 19036 5800 1 9 . 1 1 42 42 ASN CA C 42 51.351 51.351 51.265 0.086 19036 5801 1 9 . 1 1 42 42 ASN CB C 42 39.402 39.402 37.891 1.511 19036 5802 1 9 . 1 1 42 42 ASN H H 42 8.771 8.771 8.559 0.212 19036 5803 1 9 . 1 1 43 43 PRO HA H 43 4.779 4.779 4.736 0.043 19036 5804 1 9 . 1 1 43 43 PRO CA C 43 62.475 62.475 62.655 -0.180 19036 5805 1 9 . 1 1 43 43 PRO CB C 43 32.084 32.084 32.877 -0.793 19036 5806 1 9 . 1 1 44 44 THR N N 44 113.050 113.050 110.564 2.486 19036 5807 1 9 . 1 1 44 44 THR HA H 44 4.487 4.487 4.635 -0.148 19036 5808 1 9 . 1 1 44 44 THR CA C 44 60.565 60.565 60.036 0.529 19036 5809 1 9 . 1 1 44 44 THR CB C 44 71.260 71.260 71.714 -0.454 19036 5810 1 9 . 1 1 44 44 THR H H 44 8.808 8.808 8.018 0.790 19036 5811 1 9 . 1 1 45 45 GLU N N 45 120.700 120.700 122.474 -1.774 19036 5812 1 9 . 1 1 45 45 GLU HA H 45 4.001 4.001 3.980 0.021 19036 5813 1 9 . 1 1 45 45 GLU CA C 45 60.082 60.082 59.548 0.534 19036 5814 1 9 . 1 1 45 45 GLU CB C 45 29.129 29.129 29.354 -0.225 19036 5815 1 9 . 1 1 45 45 GLU H H 45 8.842 8.842 9.059 -0.217 19036 5816 1 9 . 1 1 46 46 ALA N N 46 120.880 120.880 121.036 -0.156 19036 5817 1 9 . 1 1 46 46 ALA HA H 46 4.125 4.125 4.172 -0.047 19036 5818 1 9 . 1 1 46 46 ALA CA C 46 55.125 55.125 54.854 0.271 19036 5819 1 9 . 1 1 46 46 ALA CB C 46 18.342 18.342 18.117 0.225 19036 5820 1 9 . 1 1 46 46 ALA H H 46 8.305 8.305 8.200 0.105 19036 5821 1 9 . 1 1 47 47 GLU N N 47 118.780 118.780 119.314 -0.534 19036 5822 1 9 . 1 1 47 47 GLU HA H 47 4.040 4.040 4.120 -0.080 19036 5823 1 9 . 1 1 47 47 GLU CA C 47 59.144 59.144 58.612 0.532 19036 5824 1 9 . 1 1 47 47 GLU CB C 47 29.886 29.886 29.466 0.420 19036 5825 1 9 . 1 1 47 47 GLU H H 47 7.736 7.736 7.617 0.119 19036 5826 1 9 . 1 1 48 48 LEU N N 48 120.120 120.120 119.422 0.698 19036 5827 1 9 . 1 1 48 48 LEU HA H 48 4.079 4.079 4.065 0.014 19036 5828 1 9 . 1 1 48 48 LEU CA C 48 57.955 57.955 57.411 0.544 19036 5829 1 9 . 1 1 48 48 LEU CB C 48 42.516 42.516 41.616 0.900 19036 5830 1 9 . 1 1 48 48 LEU H H 48 8.169 8.169 7.904 0.265 19036 5831 1 9 . 1 1 49 49 GLN N N 49 118.390 118.390 119.752 -1.362 19036 5832 1 9 . 1 1 49 49 GLN HA H 49 3.849 3.849 3.918 -0.069 19036 5833 1 9 . 1 1 49 49 GLN CA C 49 58.676 58.676 59.271 -0.595 19036 5834 1 9 . 1 1 49 49 GLN CB C 49 28.341 28.341 28.080 0.261 19036 5835 1 9 . 1 1 49 49 GLN H H 49 8.235 8.235 8.073 0.162 19036 5836 1 9 . 1 1 50 50 ASP N N 50 120.090 120.090 119.922 0.168 19036 5837 1 9 . 1 1 50 50 ASP HA H 50 4.439 4.439 4.372 0.067 19036 5838 1 9 . 1 1 50 50 ASP CA C 50 57.643 57.643 56.935 0.708 19036 5839 1 9 . 1 1 50 50 ASP CB C 50 40.366 40.366 40.643 -0.277 19036 5840 1 9 . 1 1 50 50 ASP H H 50 8.164 8.164 7.606 0.558 19036 5841 1 9 . 1 1 51 51 MET N N 51 119.330 119.330 119.189 0.141 19036 5842 1 9 . 1 1 51 51 MET HA H 51 4.021 4.021 4.155 -0.134 19036 5843 1 9 . 1 1 51 51 MET CA C 51 59.332 59.332 59.060 0.272 19036 5844 1 9 . 1 1 51 51 MET CB C 51 33.713 33.713 32.837 0.876 19036 5845 1 9 . 1 1 51 51 MET H H 51 7.909 7.909 7.271 0.638 19036 5846 1 9 . 1 1 52 52 ILE N N 52 118.080 118.080 117.062 1.018 19036 5847 1 9 . 1 1 52 52 ILE HA H 52 3.581 3.581 3.703 -0.122 19036 5848 1 9 . 1 1 52 52 ILE CA C 52 64.476 64.476 64.258 0.218 19036 5849 1 9 . 1 1 52 52 ILE CB C 52 37.177 37.177 37.481 -0.304 19036 5850 1 9 . 1 1 52 52 ILE H H 52 7.767 7.767 7.846 -0.079 19036 5851 1 9 . 1 1 53 53 ASN N N 53 117.980 117.980 119.337 -1.357 19036 5852 1 9 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.454 -0.037 19036 5853 1 9 . 1 1 53 53 ASN CA C 53 55.988 55.988 56.199 -0.211 19036 5854 1 9 . 1 1 53 53 ASN CB C 53 38.211 38.211 38.063 0.148 19036 5855 1 9 . 1 1 53 53 ASN H H 53 8.669 8.669 8.640 0.029 19036 5856 1 9 . 1 1 54 54 GLU N N 54 116.350 116.350 118.466 -2.116 19036 5857 1 9 . 1 1 54 54 GLU HA H 54 4.066 4.066 4.090 -0.024 19036 5858 1 9 . 1 1 54 54 GLU CA C 54 58.930 58.930 58.602 0.328 19036 5859 1 9 . 1 1 54 54 GLU CB C 54 30.404 30.404 29.921 0.483 19036 5860 1 9 . 1 1 54 54 GLU H H 54 7.566 7.566 7.965 -0.399 19036 5861 1 9 . 1 1 55 55 VAL N N 55 110.520 110.520 117.283 -6.763 19036 5862 1 9 . 1 1 55 55 VAL HA H 55 4.366 4.366 4.230 0.136 19036 5863 1 9 . 1 1 55 55 VAL CA C 55 61.089 61.089 61.127 -0.038 19036 5864 1 9 . 1 1 55 55 VAL CB C 55 33.088 33.088 33.312 -0.223 19036 5865 1 9 . 1 1 55 55 VAL H H 55 7.242 7.242 7.414 -0.172 19036 5866 1 9 . 1 1 56 56 ASP N N 56 121.390 121.390 121.252 0.138 19036 5867 1 9 . 1 1 56 56 ASP HA H 56 4.582 4.582 4.728 -0.146 19036 5868 1 9 . 1 1 56 56 ASP CA C 56 53.916 53.916 53.074 0.842 19036 5869 1 9 . 1 1 56 56 ASP CB C 56 40.588 40.588 40.438 0.150 19036 5870 1 9 . 1 1 56 56 ASP H H 56 7.749 7.749 7.602 0.147 19036 5871 1 9 . 1 1 57 57 ALA N N 57 131.640 131.640 129.746 1.894 19036 5872 1 9 . 1 1 57 57 ALA HA H 57 4.247 4.247 4.219 0.028 19036 5873 1 9 . 1 1 57 57 ALA CA C 57 54.341 54.341 53.431 0.910 19036 5874 1 9 . 1 1 57 57 ALA CB C 57 19.800 19.800 19.936 -0.136 19036 5875 1 9 . 1 1 57 57 ALA H H 57 8.323 8.323 8.151 0.172 19036 5876 1 9 . 1 1 58 58 ASP N N 58 114.000 114.000 116.341 -2.341 19036 5877 1 9 . 1 1 58 58 ASP HA H 58 4.682 4.682 4.623 0.059 19036 5878 1 9 . 1 1 58 58 ASP CA C 58 52.705 52.705 53.235 -0.530 19036 5879 1 9 . 1 1 58 58 ASP CB C 58 39.931 39.931 40.692 -0.761 19036 5880 1 9 . 1 1 58 58 ASP H H 58 8.240 8.240 8.002 0.238 19036 5881 1 9 . 1 1 59 59 GLY N N 59 108.660 108.660 108.593 0.067 19036 5882 1 9 . 1 1 59 59 GLY CA C 59 47.306 47.306 46.047 1.259 19036 5883 1 9 . 1 1 59 59 GLY H H 59 7.635 7.635 8.633 -0.998 19036 5884 1 9 . 1 1 60 60 ASN N N 60 118.730 118.730 119.413 -0.683 19036 5885 1 9 . 1 1 60 60 ASN HA H 60 4.658 4.658 4.730 -0.072 19036 5886 1 9 . 1 1 60 60 ASN CA C 60 52.805 52.805 52.011 0.793 19036 5887 1 9 . 1 1 60 60 ASN CB C 60 37.716 37.716 38.652 -0.936 19036 5888 1 9 . 1 1 60 60 ASN H H 60 8.184 8.184 9.086 -0.902 19036 5889 1 9 . 1 1 61 61 GLY N N 61 113.430 113.430 109.897 3.533 19036 5890 1 9 . 1 1 61 61 GLY CA C 61 45.753 45.753 45.993 -0.240 19036 5891 1 9 . 1 1 61 61 GLY H H 61 10.605 10.605 8.428 2.177 19036 5892 1 9 . 1 1 62 62 THR N N 62 108.750 108.750 109.274 -0.524 19036 5893 1 9 . 1 1 62 62 THR HA H 62 4.874 4.874 4.903 -0.029 19036 5894 1 9 . 1 1 62 62 THR CA C 62 59.541 59.541 59.314 0.227 19036 5895 1 9 . 1 1 62 62 THR CB C 62 72.168 72.168 72.614 -0.446 19036 5896 1 9 . 1 1 62 62 THR H H 62 7.699 7.699 8.321 -0.622 19036 5897 1 9 . 1 1 63 63 ILE N N 63 123.510 123.510 123.019 0.491 19036 5898 1 9 . 1 1 63 63 ILE HA H 63 5.160 5.160 4.731 0.429 19036 5899 1 9 . 1 1 63 63 ILE CA C 63 59.959 59.959 60.451 -0.492 19036 5900 1 9 . 1 1 63 63 ILE CB C 63 39.836 39.836 39.508 0.328 19036 5901 1 9 . 1 1 63 63 ILE H H 63 8.823 8.823 8.119 0.704 19036 5902 1 9 . 1 1 64 64 ASP N N 64 128.370 128.370 128.066 0.304 19036 5903 1 9 . 1 1 64 64 ASP HA H 64 5.463 5.463 5.116 0.347 19036 5904 1 9 . 1 1 64 64 ASP CA C 64 52.257 52.257 53.245 -0.988 19036 5905 1 9 . 1 1 64 64 ASP CB C 64 42.416 42.416 42.304 0.112 19036 5906 1 9 . 1 1 64 64 ASP H H 64 8.946 8.946 8.315 0.631 19036 5907 1 9 . 1 1 65 65 PHE N N 65 118.870 118.870 123.925 -5.055 19036 5908 1 9 . 1 1 65 65 PHE HA H 65 4.028 4.028 3.748 0.280 19036 5909 1 9 . 1 1 65 65 PHE CA C 65 63.404 63.404 62.546 0.858 19036 5910 1 9 . 1 1 65 65 PHE CB C 65 36.123 36.123 36.674 -0.551 19036 5911 1 9 . 1 1 65 65 PHE H H 65 9.000 9.000 8.658 0.342 19036 5912 1 9 . 1 1 66 66 PRO HA H 66 3.918 3.918 3.551 0.367 19036 5913 1 9 . 1 1 66 66 PRO CA C 66 66.799 66.799 65.765 1.034 19036 5914 1 9 . 1 1 66 66 PRO CB C 66 30.789 30.789 30.703 0.086 19036 5915 1 9 . 1 1 67 67 GLU N N 67 117.930 117.930 119.062 -1.132 19036 5916 1 9 . 1 1 67 67 GLU HA H 67 4.088 4.088 3.965 0.123 19036 5917 1 9 . 1 1 67 67 GLU CA C 67 58.965 58.965 59.267 -0.303 19036 5918 1 9 . 1 1 67 67 GLU CB C 67 29.677 29.677 29.198 0.479 19036 5919 1 9 . 1 1 67 67 GLU H H 67 8.185 8.185 7.669 0.516 19036 5920 1 9 . 1 1 68 68 PHE N N 68 123.830 123.830 121.408 2.422 19036 5921 1 9 . 1 1 68 68 PHE HA H 68 3.957 3.957 4.193 -0.236 19036 5922 1 9 . 1 1 68 68 PHE CA C 68 61.439 61.439 60.731 0.708 19036 5923 1 9 . 1 1 68 68 PHE CB C 68 40.429 40.429 39.134 1.295 19036 5924 1 9 . 1 1 68 68 PHE H H 68 8.794 8.794 8.184 0.610 19036 5925 1 9 . 1 1 69 69 LEU N N 69 119.410 119.410 119.611 -0.201 19036 5926 1 9 . 1 1 69 69 LEU HA H 69 3.394 3.394 3.496 -0.102 19036 5927 1 9 . 1 1 69 69 LEU CA C 69 58.042 58.042 57.953 0.089 19036 5928 1 9 . 1 1 69 69 LEU CB C 69 41.246 41.246 41.196 0.050 19036 5929 1 9 . 1 1 69 69 LEU H H 69 8.662 8.662 8.195 0.467 19036 5930 1 9 . 1 1 70 70 THR N N 70 115.700 115.700 115.226 0.474 19036 5931 1 9 . 1 1 70 70 THR HA H 70 3.783 3.783 3.767 0.016 19036 5932 1 9 . 1 1 70 70 THR CA C 70 66.623 66.623 66.713 -0.090 19036 5933 1 9 . 1 1 70 70 THR CB C 70 68.592 68.592 68.337 0.255 19036 5934 1 9 . 1 1 70 70 THR H H 70 7.744 7.744 7.611 0.133 19036 5935 1 9 . 1 1 71 71 MET N N 71 121.350 121.350 121.414 -0.064 19036 5936 1 9 . 1 1 71 71 MET HA H 71 3.889 3.889 3.995 -0.106 19036 5937 1 9 . 1 1 71 71 MET CA C 71 58.859 58.859 59.089 -0.230 19036 5938 1 9 . 1 1 71 71 MET CB C 71 32.676 32.676 32.515 0.161 19036 5939 1 9 . 1 1 71 71 MET H H 71 7.622 7.622 7.303 0.319 19036 5940 1 9 . 1 1 72 72 MET N N 72 117.390 117.390 116.230 1.160 19036 5941 1 9 . 1 1 72 72 MET HA H 72 3.973 3.973 3.949 0.024 19036 5942 1 9 . 1 1 72 72 MET CA C 72 56.030 56.030 57.286 -1.256 19036 5943 1 9 . 1 1 72 72 MET CB C 72 30.934 30.934 31.179 -0.245 19036 5944 1 9 . 1 1 72 72 MET H H 72 8.066 8.066 7.537 0.529 19036 5945 1 9 . 1 1 73 73 ALA N N 73 121.670 121.670 121.214 0.456 19036 5946 1 9 . 1 1 73 73 ALA HA H 73 4.103 4.103 4.168 -0.065 19036 5947 1 9 . 1 1 73 73 ALA CA C 73 54.517 54.517 53.788 0.730 19036 5948 1 9 . 1 1 73 73 ALA CB C 73 18.381 18.381 18.534 -0.153 19036 5949 1 9 . 1 1 73 73 ALA H H 73 8.276 8.276 7.728 0.548 19036 5950 1 9 . 1 1 74 74 ARG N N 74 117.220 117.220 118.829 -1.609 19036 5951 1 9 . 1 1 74 74 ARG HA H 74 4.113 4.113 3.901 0.212 19036 5952 1 9 . 1 1 74 74 ARG CA C 74 58.327 58.327 59.044 -0.716 19036 5953 1 9 . 1 1 74 74 ARG CB C 74 30.378 30.378 29.810 0.568 19036 5954 1 9 . 1 1 74 74 ARG H H 74 7.539 7.539 8.111 -0.572 19036 5955 1 9 . 1 1 75 75 LYS N N 75 119.120 119.120 119.463 -0.343 19036 5956 1 9 . 1 1 75 75 LYS HA H 75 4.261 4.261 4.003 0.258 19036 5957 1 9 . 1 1 75 75 LYS CA C 75 56.990 56.990 58.967 -1.977 19036 5958 1 9 . 1 1 75 75 LYS CB C 75 32.412 32.412 31.931 0.481 19036 5959 1 9 . 1 1 75 75 LYS H H 75 7.833 7.833 7.277 0.556 19036 5960 1 9 . 1 1 76 76 MET N N 76 118.860 118.860 116.805 2.055 19036 5961 1 9 . 1 1 76 76 MET HA H 76 4.370 4.370 4.234 0.136 19036 5962 1 9 . 1 1 76 76 MET CA C 76 56.700 56.700 57.651 -0.951 19036 5963 1 9 . 1 1 76 76 MET CB C 76 32.981 32.981 32.527 0.454 19036 5964 1 9 . 1 1 76 76 MET H H 76 8.000 8.000 7.807 0.193 19036 5965 1 9 . 1 1 77 77 LYS N N 77 120.200 120.200 116.878 3.322 19036 5966 1 9 . 1 1 77 77 LYS HA H 77 4.352 4.352 4.229 0.123 19036 5967 1 9 . 1 1 77 77 LYS CA C 77 56.709 56.709 56.497 0.212 19036 5968 1 9 . 1 1 77 77 LYS CB C 77 33.138 33.138 32.565 0.573 19036 5969 1 9 . 1 1 77 77 LYS H H 77 7.866 7.866 7.670 0.196 19036 5970 1 9 . 1 1 78 78 ASP N N 78 121.430 121.430 117.289 4.141 19036 5971 1 9 . 1 1 78 78 ASP HA H 78 4.691 4.691 4.334 0.357 19036 5972 1 9 . 1 1 78 78 ASP CA C 78 54.771 54.771 55.537 -0.766 19036 5973 1 9 . 1 1 78 78 ASP CB C 78 41.222 41.222 38.817 2.405 19036 5974 1 9 . 1 1 78 78 ASP H H 78 8.250 8.250 8.257 -0.007 19036 5975 1 9 . 1 1 79 79 THR N N 79 114.390 114.390 112.850 1.540 19036 5976 1 9 . 1 1 79 79 THR HA H 79 4.337 4.337 4.100 0.237 19036 5977 1 9 . 1 1 79 79 THR CA C 79 62.349 62.349 65.986 -3.637 19036 5978 1 9 . 1 1 79 79 THR CB C 79 69.875 69.875 68.984 0.891 19036 5979 1 9 . 1 1 79 79 THR H H 79 8.093 8.093 7.592 0.501 19036 5980 1 9 . 1 1 80 80 ASP N N 80 123.460 123.460 118.140 5.320 19036 5981 1 9 . 1 1 80 80 ASP HA H 80 4.721 4.721 4.878 -0.157 19036 5982 1 9 . 1 1 80 80 ASP CA C 80 54.655 54.655 54.870 -0.215 19036 5983 1 9 . 1 1 80 80 ASP CB C 80 41.416 41.416 41.564 -0.148 19036 5984 1 9 . 1 1 80 80 ASP H H 80 8.455 8.455 8.608 -0.153 19036 5985 1 9 . 1 1 81 81 SER N N 81 117.440 117.440 115.972 1.468 19036 5986 1 9 . 1 1 81 81 SER HA H 81 4.455 4.455 4.073 0.382 19036 5987 1 9 . 1 1 81 81 SER CA C 81 59.571 59.571 62.083 -2.512 19036 5988 1 9 . 1 1 81 81 SER CB C 81 63.825 63.825 62.935 0.890 19036 5989 1 9 . 1 1 81 81 SER H H 81 8.505 8.505 8.612 -0.107 19036 5990 1 9 . 1 1 82 82 GLU N N 82 122.380 122.380 120.955 1.425 19036 5991 1 9 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.031 0.154 19036 5992 1 9 . 1 1 82 82 GLU CA C 82 58.800 58.800 59.108 -0.308 19036 5993 1 9 . 1 1 82 82 GLU CB C 82 29.660 29.660 29.459 0.201 19036 5994 1 9 . 1 1 82 82 GLU H H 82 8.508 8.508 8.133 0.375 19036 5995 1 9 . 1 1 83 83 GLU N N 83 119.670 119.670 119.436 0.234 19036 5996 1 9 . 1 1 83 83 GLU HA H 83 4.085 4.085 4.024 0.061 19036 5997 1 9 . 1 1 83 83 GLU CA C 83 59.576 59.576 59.428 0.148 19036 5998 1 9 . 1 1 83 83 GLU CB C 83 29.410 29.410 29.579 -0.169 19036 5999 1 9 . 1 1 83 83 GLU H H 83 8.297 8.297 8.078 0.219 19036 6000 1 9 . 1 1 84 84 GLU N N 84 118.700 118.700 117.633 1.067 19036 6001 1 9 . 1 1 84 84 GLU HA H 84 4.135 4.135 4.209 -0.074 19036 6002 1 9 . 1 1 84 84 GLU CA C 84 59.523 59.523 58.962 0.561 19036 6003 1 9 . 1 1 84 84 GLU CB C 84 29.607 29.607 29.137 0.470 19036 6004 1 9 . 1 1 84 84 GLU H H 84 8.218 8.218 7.762 0.456 19036 6005 1 9 . 1 1 85 85 ILE N N 85 121.500 121.500 120.872 0.628 19036 6006 1 9 . 1 1 85 85 ILE HA H 85 3.981 3.981 3.816 0.165 19036 6007 1 9 . 1 1 85 85 ILE CA C 85 64.941 64.941 64.985 -0.044 19036 6008 1 9 . 1 1 85 85 ILE CB C 85 37.484 37.484 37.490 -0.006 19036 6009 1 9 . 1 1 85 85 ILE H H 85 7.980 7.980 7.182 0.798 19036 6010 1 9 . 1 1 86 86 ARG N N 86 121.710 121.710 118.374 3.336 19036 6011 1 9 . 1 1 86 86 ARG HA H 86 4.186 4.186 4.297 -0.111 19036 6012 1 9 . 1 1 86 86 ARG CA C 86 60.202 60.202 59.620 0.582 19036 6013 1 9 . 1 1 86 86 ARG CB C 86 30.026 30.026 30.119 -0.093 19036 6014 1 9 . 1 1 86 86 ARG H H 86 8.471 8.471 7.659 0.812 19036 6015 1 9 . 1 1 87 87 GLU N N 87 118.710 118.710 119.837 -1.127 19036 6016 1 9 . 1 1 87 87 GLU HA H 87 4.179 4.179 4.185 -0.006 19036 6017 1 9 . 1 1 87 87 GLU CA C 87 58.995 58.995 59.093 -0.098 19036 6018 1 9 . 1 1 87 87 GLU CB C 87 29.201 29.201 29.786 -0.585 19036 6019 1 9 . 1 1 87 87 GLU H H 87 8.211 8.211 7.606 0.605 19036 6020 1 9 . 1 1 88 88 ALA N N 88 121.910 121.910 121.894 0.016 19036 6021 1 9 . 1 1 88 88 ALA HA H 88 4.180 4.180 4.216 -0.036 19036 6022 1 9 . 1 1 88 88 ALA CA C 88 55.275 55.275 55.342 -0.067 19036 6023 1 9 . 1 1 88 88 ALA CB C 88 17.936 17.936 18.372 -0.436 19036 6024 1 9 . 1 1 88 88 ALA H H 88 8.037 8.037 8.587 -0.550 19036 6025 1 9 . 1 1 89 89 PHE N N 89 118.790 118.790 119.438 -0.648 19036 6026 1 9 . 1 1 89 89 PHE HA H 89 3.188 3.188 3.750 -0.562 19036 6027 1 9 . 1 1 89 89 PHE CA C 89 62.283 62.283 61.257 1.026 19036 6028 1 9 . 1 1 89 89 PHE CB C 89 39.238 39.238 38.941 0.297 19036 6029 1 9 . 1 1 89 89 PHE H H 89 8.623 8.623 7.851 0.772 19036 6030 1 9 . 1 1 90 90 ARG N N 90 115.890 115.890 119.578 -3.688 19036 6031 1 9 . 1 1 90 90 ARG HA H 90 3.906 3.906 4.141 -0.235 19036 6032 1 9 . 1 1 90 90 ARG CA C 90 58.950 58.950 59.711 -0.761 19036 6033 1 9 . 1 1 90 90 ARG CB C 90 30.414 30.414 30.166 0.248 19036 6034 1 9 . 1 1 90 90 ARG H H 90 7.775 7.775 8.006 -0.231 19036 6035 1 9 . 1 1 91 91 VAL N N 91 118.320 118.320 116.894 1.426 19036 6036 1 9 . 1 1 91 91 VAL HA H 91 3.515 3.515 3.720 -0.205 19036 6037 1 9 . 1 1 91 91 VAL CA C 91 65.726 65.726 64.981 0.745 19036 6038 1 9 . 1 1 91 91 VAL CB C 91 31.579 31.579 31.791 -0.212 19036 6039 1 9 . 1 1 91 91 VAL H H 91 7.538 7.538 7.292 0.246 19036 6040 1 9 . 1 1 92 92 PHE N N 92 115.750 115.750 116.985 -1.235 19036 6041 1 9 . 1 1 92 92 PHE HA H 92 4.247 4.247 4.170 0.077 19036 6042 1 9 . 1 1 92 92 PHE CA C 92 60.241 60.241 60.615 -0.374 19036 6043 1 9 . 1 1 92 92 PHE CB C 92 40.951 40.951 39.165 1.786 19036 6044 1 9 . 1 1 92 92 PHE H H 92 7.381 7.381 8.039 -0.658 19036 6045 1 9 . 1 1 93 93 ASP N N 93 116.590 116.590 118.840 -2.250 19036 6046 1 9 . 1 1 93 93 ASP HA H 93 4.590 4.590 4.461 0.129 19036 6047 1 9 . 1 1 93 93 ASP CA C 93 52.466 52.466 53.035 -0.569 19036 6048 1 9 . 1 1 93 93 ASP CB C 93 38.478 38.478 39.658 -1.180 19036 6049 1 9 . 1 1 93 93 ASP H H 93 7.900 7.900 8.024 -0.124 19036 6050 1 9 . 1 1 94 94 LYS N N 94 126.160 126.160 125.398 0.762 19036 6051 1 9 . 1 1 94 94 LYS HA H 94 3.945 3.945 3.991 -0.046 19036 6052 1 9 . 1 1 94 94 LYS CA C 94 59.072 59.072 58.615 0.457 19036 6053 1 9 . 1 1 94 94 LYS CB C 94 32.589 32.589 32.800 -0.211 19036 6054 1 9 . 1 1 94 94 LYS H H 94 7.790 7.790 7.854 -0.064 19036 6055 1 9 . 1 1 95 95 ASP N N 95 114.060 114.060 115.645 -1.585 19036 6056 1 9 . 1 1 95 95 ASP HA H 95 4.579 4.579 4.503 0.076 19036 6057 1 9 . 1 1 95 95 ASP CA C 95 53.120 53.120 54.683 -1.563 19036 6058 1 9 . 1 1 95 95 ASP CB C 95 40.043 40.043 40.485 -0.442 19036 6059 1 9 . 1 1 95 95 ASP H H 95 8.237 8.237 7.931 0.306 19036 6060 1 9 . 1 1 96 96 GLY N N 96 109.410 109.410 107.645 1.765 19036 6061 1 9 . 1 1 96 96 GLY CA C 96 47.263 47.263 45.953 1.310 19036 6062 1 9 . 1 1 96 96 GLY H H 96 7.839 7.839 8.726 -0.887 19036 6063 1 9 . 1 1 97 97 ASN N N 97 119.630 119.630 118.946 0.684 19036 6064 1 9 . 1 1 97 97 ASN HA H 97 4.659 4.659 4.678 -0.019 19036 6065 1 9 . 1 1 97 97 ASN CA C 97 52.681 52.681 52.925 -0.243 19036 6066 1 9 . 1 1 97 97 ASN CB C 97 38.311 38.311 38.508 -0.197 19036 6067 1 9 . 1 1 97 97 ASN H H 97 8.377 8.377 8.321 0.056 19036 6068 1 9 . 1 1 98 98 GLY N N 98 112.970 112.970 107.188 5.782 19036 6069 1 9 . 1 1 98 98 GLY CA C 98 45.183 45.183 45.675 -0.492 19036 6070 1 9 . 1 1 98 98 GLY H H 98 10.687 10.687 8.385 2.302 19036 6071 1 9 . 1 1 99 99 TYR N N 99 116.080 116.080 119.122 -3.042 19036 6072 1 9 . 1 1 99 99 TYR HA H 99 5.065 5.065 5.385 -0.320 19036 6073 1 9 . 1 1 99 99 TYR CA C 99 56.198 56.198 57.185 -0.987 19036 6074 1 9 . 1 1 99 99 TYR CB C 99 43.110 43.110 41.768 1.342 19036 6075 1 9 . 1 1 99 99 TYR H H 99 7.671 7.671 8.636 -0.965 19036 6076 1 9 . 1 1 100 100 ILE N N 100 127.320 127.320 124.125 3.195 19036 6077 1 9 . 1 1 100 100 ILE HA H 100 4.780 4.780 4.425 0.355 19036 6078 1 9 . 1 1 100 100 ILE CA C 100 60.731 60.731 60.709 0.022 19036 6079 1 9 . 1 1 100 100 ILE CB C 100 39.050 39.050 39.619 -0.569 19036 6080 1 9 . 1 1 100 100 ILE H H 100 10.163 10.163 9.094 1.069 19036 6081 1 9 . 1 1 101 101 SER N N 101 123.810 123.810 121.785 2.025 19036 6082 1 9 . 1 1 101 101 SER HA H 101 4.898 4.898 4.784 0.114 19036 6083 1 9 . 1 1 101 101 SER CA C 101 55.840 55.840 56.744 -0.904 19036 6084 1 9 . 1 1 101 101 SER CB C 101 66.799 66.799 65.421 1.378 19036 6085 1 9 . 1 1 101 101 SER H H 101 8.970 8.970 8.724 0.246 19036 6086 1 9 . 1 1 102 102 ALA N N 102 123.130 123.130 124.941 -1.811 19036 6087 1 9 . 1 1 102 102 ALA HA H 102 3.927 3.927 4.113 -0.186 19036 6088 1 9 . 1 1 102 102 ALA CA C 102 56.023 56.023 55.199 0.824 19036 6089 1 9 . 1 1 102 102 ALA CB C 102 18.139 18.139 18.538 -0.399 19036 6090 1 9 . 1 1 102 102 ALA H H 102 9.269 9.269 8.841 0.428 19036 6091 1 9 . 1 1 103 103 ALA N N 103 118.460 118.460 120.982 -2.522 19036 6092 1 9 . 1 1 103 103 ALA HA H 103 4.058 4.058 4.155 -0.097 19036 6093 1 9 . 1 1 103 103 ALA CA C 103 55.250 55.250 54.597 0.653 19036 6094 1 9 . 1 1 103 103 ALA CB C 103 18.492 18.492 18.068 0.424 19036 6095 1 9 . 1 1 103 103 ALA H H 103 8.294 8.294 8.433 -0.139 19036 6096 1 9 . 1 1 104 104 GLU N N 104 120.070 120.070 118.707 1.363 19036 6097 1 9 . 1 1 104 104 GLU HA H 104 4.073 4.073 4.089 -0.016 19036 6098 1 9 . 1 1 104 104 GLU CA C 104 59.567 59.567 59.155 0.412 19036 6099 1 9 . 1 1 104 104 GLU CB C 104 29.262 29.262 29.278 -0.016 19036 6100 1 9 . 1 1 104 104 GLU H H 104 7.939 7.939 8.382 -0.443 19036 6101 1 9 . 1 1 105 105 LEU N N 105 120.990 120.990 120.490 0.500 19036 6102 1 9 . 1 1 105 105 LEU HA H 105 4.133 4.133 4.100 0.033 19036 6103 1 9 . 1 1 105 105 LEU CA C 105 58.618 58.618 57.979 0.639 19036 6104 1 9 . 1 1 105 105 LEU CB C 105 42.210 42.210 42.069 0.141 19036 6105 1 9 . 1 1 105 105 LEU H H 105 8.534 8.534 7.570 0.964 19036 6106 1 9 . 1 1 106 106 ARG N N 106 117.580 117.580 117.840 -0.260 19036 6107 1 9 . 1 1 106 106 ARG HA H 106 3.832 3.832 4.043 -0.211 19036 6108 1 9 . 1 1 106 106 ARG CA C 106 60.041 60.041 59.357 0.684 19036 6109 1 9 . 1 1 106 106 ARG CB C 106 30.648 30.648 29.854 0.794 19036 6110 1 9 . 1 1 106 106 ARG H H 106 8.667 8.667 7.510 1.157 19036 6111 1 9 . 1 1 107 107 HIS N N 107 118.880 118.880 120.026 -1.146 19036 6112 1 9 . 1 1 107 107 HIS HA H 107 4.338 4.338 4.291 0.047 19036 6113 1 9 . 1 1 107 107 HIS CA C 107 59.771 59.771 58.910 0.861 19036 6114 1 9 . 1 1 107 107 HIS CB C 107 30.491 30.491 29.402 1.089 19036 6115 1 9 . 1 1 107 107 HIS H H 107 8.071 8.071 7.638 0.433 19036 6116 1 9 . 1 1 108 108 VAL N N 108 119.170 119.170 118.488 0.682 19036 6117 1 9 . 1 1 108 108 VAL HA H 108 3.556 3.556 3.339 0.217 19036 6118 1 9 . 1 1 108 108 VAL CA C 108 66.580 66.580 66.214 0.366 19036 6119 1 9 . 1 1 108 108 VAL CB C 108 31.920 31.920 31.617 0.303 19036 6120 1 9 . 1 1 108 108 VAL H H 108 8.107 8.107 7.359 0.748 19036 6121 1 9 . 1 1 109 109 MET N N 109 116.290 116.290 118.143 -1.853 19036 6122 1 9 . 1 1 109 109 MET HA H 109 4.326 4.326 4.080 0.246 19036 6123 1 9 . 1 1 109 109 MET CA C 109 57.824 57.824 59.485 -1.661 19036 6124 1 9 . 1 1 109 109 MET CB C 109 31.052 31.052 32.502 -1.450 19036 6125 1 9 . 1 1 109 109 MET H H 109 8.280 8.280 7.527 0.753 19036 6126 1 9 . 1 1 110 110 THR N N 110 115.190 115.190 117.108 -1.918 19036 6127 1 9 . 1 1 110 110 THR HA H 110 4.166 4.166 4.198 -0.032 19036 6128 1 9 . 1 1 110 110 THR CA C 110 66.182 66.182 67.053 -0.871 19036 6129 1 9 . 1 1 110 110 THR CB C 110 68.951 68.951 68.701 0.250 19036 6130 1 9 . 1 1 110 110 THR H H 110 8.244 8.244 8.279 -0.035 19036 6131 1 9 . 1 1 111 111 ASN N N 111 122.310 122.310 119.840 2.470 19036 6132 1 9 . 1 1 111 111 ASN HA H 111 4.502 4.502 4.537 -0.035 19036 6133 1 9 . 1 1 111 111 ASN CA C 111 55.931 55.931 55.600 0.331 19036 6134 1 9 . 1 1 111 111 ASN CB C 111 38.585 38.585 38.178 0.406 19036 6135 1 9 . 1 1 111 111 ASN H H 111 7.904 7.904 7.941 -0.037 19036 6136 1 9 . 1 1 112 112 LEU N N 112 118.850 118.850 118.126 0.724 19036 6137 1 9 . 1 1 112 112 LEU HA H 112 4.354 4.354 4.557 -0.203 19036 6138 1 9 . 1 1 112 112 LEU CA C 112 55.274 55.274 54.455 0.819 19036 6139 1 9 . 1 1 112 112 LEU CB C 112 42.218 42.218 41.740 0.478 19036 6140 1 9 . 1 1 112 112 LEU H H 112 7.873 7.873 7.293 0.580 19036 6141 1 9 . 1 1 113 113 GLY N N 113 106.700 106.700 107.627 -0.927 19036 6142 1 9 . 1 1 113 113 GLY CA C 113 45.596 45.596 45.387 0.209 19036 6143 1 9 . 1 1 113 113 GLY H H 113 7.844 7.844 7.871 -0.027 19036 6144 1 9 . 1 1 114 114 GLU N N 114 120.140 120.140 121.143 -1.003 19036 6145 1 9 . 1 1 114 114 GLU HA H 114 4.459 4.459 4.663 -0.204 19036 6146 1 9 . 1 1 114 114 GLU CA C 114 55.046 55.046 54.899 0.147 19036 6147 1 9 . 1 1 114 114 GLU CB C 114 30.469 30.469 32.332 -1.863 19036 6148 1 9 . 1 1 114 114 GLU H H 114 7.946 7.946 8.153 -0.207 19036 6149 1 9 . 1 1 115 115 LYS N N 115 124.130 124.130 122.678 1.452 19036 6150 1 9 . 1 1 115 115 LYS HA H 115 4.394 4.394 4.539 -0.145 19036 6151 1 9 . 1 1 115 115 LYS CA C 115 55.794 55.794 56.468 -0.674 19036 6152 1 9 . 1 1 115 115 LYS CB C 115 32.191 32.191 33.836 -1.645 19036 6153 1 9 . 1 1 115 115 LYS H H 115 8.646 8.646 8.458 0.188 19036 6154 1 9 . 1 1 116 116 LEU N N 116 124.840 124.840 125.314 -0.474 19036 6155 1 9 . 1 1 116 116 LEU HA H 116 4.793 4.793 4.895 -0.102 19036 6156 1 9 . 1 1 116 116 LEU CA C 116 54.127 54.127 52.820 1.307 19036 6157 1 9 . 1 1 116 116 LEU CB C 116 44.934 44.934 43.821 1.113 19036 6158 1 9 . 1 1 116 116 LEU H H 116 8.097 8.097 8.284 -0.187 19036 6159 1 9 . 1 1 117 117 THR N N 117 114.690 114.690 110.712 3.978 19036 6160 1 9 . 1 1 117 117 THR HA H 117 4.492 4.492 4.495 -0.003 19036 6161 1 9 . 1 1 117 117 THR CA C 117 60.751 60.751 60.840 -0.089 19036 6162 1 9 . 1 1 117 117 THR CB C 117 71.303 71.303 70.632 0.671 19036 6163 1 9 . 1 1 117 117 THR H H 117 9.252 9.252 7.936 1.316 19036 6164 1 9 . 1 1 118 118 ASP N N 118 121.130 121.130 122.862 -1.732 19036 6165 1 9 . 1 1 118 118 ASP HA H 118 4.232 4.232 4.310 -0.078 19036 6166 1 9 . 1 1 118 118 ASP CA C 118 58.080 58.080 58.001 0.079 19036 6167 1 9 . 1 1 118 118 ASP CB C 118 39.870 39.870 40.538 -0.668 19036 6168 1 9 . 1 1 118 118 ASP H H 118 8.936 8.936 8.861 0.075 19036 6169 1 9 . 1 1 119 119 GLU N N 119 119.110 119.110 119.719 -0.609 19036 6170 1 9 . 1 1 119 119 GLU HA H 119 4.117 4.117 4.072 0.045 19036 6171 1 9 . 1 1 119 119 GLU CA C 119 60.043 60.043 59.324 0.719 19036 6172 1 9 . 1 1 119 119 GLU CB C 119 29.135 29.135 29.343 -0.208 19036 6173 1 9 . 1 1 119 119 GLU H H 119 8.715 8.715 8.674 0.041 19036 6174 1 9 . 1 1 120 120 GLU N N 120 120.680 120.680 118.803 1.877 19036 6175 1 9 . 1 1 120 120 GLU HA H 120 4.062 4.062 4.102 -0.040 19036 6176 1 9 . 1 1 120 120 GLU CA C 120 59.138 59.138 59.217 -0.079 19036 6177 1 9 . 1 1 120 120 GLU CB C 120 30.420 30.420 29.560 0.860 19036 6178 1 9 . 1 1 120 120 GLU H H 120 7.809 7.809 7.599 0.210 19036 6179 1 9 . 1 1 121 121 VAL N N 121 120.660 120.660 119.671 0.989 19036 6180 1 9 . 1 1 121 121 VAL HA H 121 3.637 3.637 3.823 -0.186 19036 6181 1 9 . 1 1 121 121 VAL CA C 121 67.003 67.003 65.293 1.710 19036 6182 1 9 . 1 1 121 121 VAL CB C 121 31.463 31.463 31.271 0.192 19036 6183 1 9 . 1 1 121 121 VAL H H 121 8.079 8.079 8.007 0.072 19036 6184 1 9 . 1 1 122 122 ASP N N 122 119.590 119.590 120.494 -0.904 19036 6185 1 9 . 1 1 122 122 ASP HA H 122 4.349 4.349 4.319 0.030 19036 6186 1 9 . 1 1 122 122 ASP CA C 122 57.718 57.718 57.739 -0.021 19036 6187 1 9 . 1 1 122 122 ASP CB C 122 40.593 40.593 40.798 -0.205 19036 6188 1 9 . 1 1 122 122 ASP H H 122 8.124 8.124 8.607 -0.483 19036 6189 1 9 . 1 1 123 123 GLU N N 123 119.760 119.760 119.457 0.303 19036 6190 1 9 . 1 1 123 123 GLU HA H 123 4.051 4.051 3.967 0.084 19036 6191 1 9 . 1 1 123 123 GLU CA C 123 59.144 59.144 59.313 -0.169 19036 6192 1 9 . 1 1 123 123 GLU CB C 123 29.161 29.161 29.635 -0.474 19036 6193 1 9 . 1 1 123 123 GLU H H 123 8.034 8.034 8.137 -0.103 19036 6194 1 9 . 1 1 124 124 MET N N 124 119.580 119.580 118.897 0.683 19036 6195 1 9 . 1 1 124 124 MET HA H 124 4.024 4.024 4.112 -0.088 19036 6196 1 9 . 1 1 124 124 MET CA C 124 59.353 59.353 59.599 -0.246 19036 6197 1 9 . 1 1 124 124 MET CB C 124 33.497 33.497 32.797 0.700 19036 6198 1 9 . 1 1 124 124 MET H H 124 7.871 7.871 7.409 0.462 19036 6199 1 9 . 1 1 125 125 ILE N N 125 118.210 118.210 119.323 -1.113 19036 6200 1 9 . 1 1 125 125 ILE HA H 125 3.524 3.524 3.636 -0.112 19036 6201 1 9 . 1 1 125 125 ILE CA C 125 63.855 63.855 65.030 -1.175 19036 6202 1 9 . 1 1 125 125 ILE CB C 125 36.457 36.457 37.251 -0.794 19036 6203 1 9 . 1 1 125 125 ILE H H 125 7.953 7.953 7.728 0.225 19036 6204 1 9 . 1 1 126 126 ARG N N 126 118.420 118.420 119.872 -1.452 19036 6205 1 9 . 1 1 126 126 ARG HA H 126 4.038 4.038 3.988 0.050 19036 6206 1 9 . 1 1 126 126 ARG CA C 126 59.809 59.809 59.705 0.104 19036 6207 1 9 . 1 1 126 126 ARG CB C 126 30.311 30.311 30.084 0.227 19036 6208 1 9 . 1 1 126 126 ARG H H 126 8.228 8.228 7.857 0.371 19036 6209 1 9 . 1 1 127 127 GLU N N 127 115.830 115.830 118.966 -3.136 19036 6210 1 9 . 1 1 127 127 GLU HA H 127 4.026 4.026 4.134 -0.108 19036 6211 1 9 . 1 1 127 127 GLU CA C 127 58.489 58.489 58.709 -0.220 19036 6212 1 9 . 1 1 127 127 GLU CB C 127 29.435 29.435 29.730 -0.295 19036 6213 1 9 . 1 1 127 127 GLU H H 127 7.950 7.950 8.058 -0.108 19036 6214 1 9 . 1 1 128 128 ALA N N 128 119.010 119.010 118.756 0.254 19036 6215 1 9 . 1 1 128 128 ALA HA H 128 4.444 4.444 4.320 0.124 19036 6216 1 9 . 1 1 128 128 ALA CA C 128 52.125 52.125 51.937 0.188 19036 6217 1 9 . 1 1 128 128 ALA CB C 128 21.322 21.322 19.532 1.790 19036 6218 1 9 . 1 1 128 128 ALA H H 128 7.386 7.386 7.623 -0.237 19036 6219 1 9 . 1 1 129 129 ASP N N 129 117.790 117.790 119.669 -1.879 19036 6220 1 9 . 1 1 129 129 ASP HA H 129 4.516 4.516 4.757 -0.241 19036 6221 1 9 . 1 1 129 129 ASP CA C 129 54.190 54.190 53.941 0.249 19036 6222 1 9 . 1 1 129 129 ASP CB C 129 40.587 40.587 39.541 1.046 19036 6223 1 9 . 1 1 129 129 ASP H H 129 7.913 7.913 7.520 0.393 19036 6224 1 9 . 1 1 130 130 ILE N N 130 127.770 127.770 123.615 4.155 19036 6225 1 9 . 1 1 130 130 ILE HA H 130 3.938 3.938 4.025 -0.087 19036 6226 1 9 . 1 1 130 130 ILE CA C 130 63.431 63.431 62.822 0.609 19036 6227 1 9 . 1 1 130 130 ILE CB C 130 38.748 38.748 38.538 0.210 19036 6228 1 9 . 1 1 130 130 ILE H H 130 8.332 8.332 8.136 0.196 19036 6229 1 9 . 1 1 131 131 ASP N N 131 116.680 116.680 119.165 -2.485 19036 6230 1 9 . 1 1 131 131 ASP HA H 131 4.493 4.493 4.517 -0.024 19036 6231 1 9 . 1 1 131 131 ASP CA C 131 53.734 53.734 54.582 -0.848 19036 6232 1 9 . 1 1 131 131 ASP CB C 131 40.062 40.062 41.336 -1.274 19036 6233 1 9 . 1 1 131 131 ASP H H 131 8.371 8.371 8.705 -0.334 19036 6234 1 9 . 1 1 132 132 GLY N N 132 108.680 108.680 108.996 -0.316 19036 6235 1 9 . 1 1 132 132 GLY CA C 132 47.587 47.587 45.374 2.212 19036 6236 1 9 . 1 1 132 132 GLY H H 132 7.636 7.636 8.138 -0.502 19036 6237 1 9 . 1 1 133 133 ASP N N 133 120.930 120.930 121.054 -0.124 19036 6238 1 9 . 1 1 133 133 ASP HA H 133 4.530 4.530 4.563 -0.033 19036 6239 1 9 . 1 1 133 133 ASP CA C 133 53.845 53.845 53.417 0.428 19036 6240 1 9 . 1 1 133 133 ASP CB C 133 40.322 40.322 40.812 -0.491 19036 6241 1 9 . 1 1 133 133 ASP H H 133 8.378 8.378 8.652 -0.274 19036 6242 1 9 . 1 1 134 134 GLY N N 134 112.990 112.990 109.065 3.925 19036 6243 1 9 . 1 1 134 134 GLY CA C 134 45.855 45.855 45.526 0.329 19036 6244 1 9 . 1 1 134 134 GLY H H 134 10.401 10.401 8.029 2.372 19036 6245 1 9 . 1 1 135 135 GLN N N 135 115.490 115.490 117.340 -1.850 19036 6246 1 9 . 1 1 135 135 GLN HA H 135 4.887 4.887 4.696 0.191 19036 6247 1 9 . 1 1 135 135 GLN CA C 135 53.289 53.289 54.044 -0.755 19036 6248 1 9 . 1 1 135 135 GLN CB C 135 32.515 32.515 33.483 -0.968 19036 6249 1 9 . 1 1 135 135 GLN H H 135 8.007 8.007 8.752 -0.745 19036 6250 1 9 . 1 1 136 136 VAL N N 136 125.480 125.480 122.244 3.236 19036 6251 1 9 . 1 1 136 136 VAL HA H 136 5.213 5.213 4.653 0.560 19036 6252 1 9 . 1 1 136 136 VAL CA C 136 61.784 61.784 60.930 0.854 19036 6253 1 9 . 1 1 136 136 VAL CB C 136 33.839 33.839 31.873 1.966 19036 6254 1 9 . 1 1 136 136 VAL H H 136 9.167 9.167 8.225 0.942 19036 6255 1 9 . 1 1 137 137 ASN N N 137 129.140 129.140 125.753 3.387 19036 6256 1 9 . 1 1 137 137 ASN HA H 137 5.288 5.288 5.230 0.058 19036 6257 1 9 . 1 1 137 137 ASN CA C 137 51.176 51.176 50.689 0.487 19036 6258 1 9 . 1 1 137 137 ASN CB C 137 38.446 38.446 40.106 -1.660 19036 6259 1 9 . 1 1 137 137 ASN H H 137 9.576 9.576 7.969 1.607 19036 6260 1 9 . 1 1 138 138 TYR N N 138 118.600 118.600 120.781 -2.181 19036 6261 1 9 . 1 1 138 138 TYR HA H 138 3.456 3.456 4.032 -0.576 19036 6262 1 9 . 1 1 138 138 TYR CA C 138 62.842 62.842 63.825 -0.983 19036 6263 1 9 . 1 1 138 138 TYR CB C 138 37.805 37.805 38.217 -0.412 19036 6264 1 9 . 1 1 138 138 TYR H H 138 8.464 8.464 8.455 0.009 19036 6265 1 9 . 1 1 139 139 GLU N N 139 118.470 118.470 118.186 0.284 19036 6266 1 9 . 1 1 139 139 GLU HA H 139 3.686 3.686 3.942 -0.256 19036 6267 1 9 . 1 1 139 139 GLU CA C 139 60.456 60.456 60.782 -0.326 19036 6268 1 9 . 1 1 139 139 GLU CB C 139 29.008 29.008 28.870 0.138 19036 6269 1 9 . 1 1 139 139 GLU H H 139 8.152 8.152 8.897 -0.745 19036 6270 1 9 . 1 1 140 140 GLU N N 140 119.970 119.970 119.807 0.163 19036 6271 1 9 . 1 1 140 140 GLU HA H 140 4.025 4.025 4.107 -0.082 19036 6272 1 9 . 1 1 140 140 GLU CA C 140 58.655 58.655 59.024 -0.369 19036 6273 1 9 . 1 1 140 140 GLU CB C 140 29.868 29.868 29.451 0.417 19036 6274 1 9 . 1 1 140 140 GLU H H 140 8.815 8.815 8.226 0.589 19036 6275 1 9 . 1 1 141 141 PHE N N 141 124.860 124.860 121.697 3.163 19036 6276 1 9 . 1 1 141 141 PHE HA H 141 4.000 4.000 4.210 -0.210 19036 6277 1 9 . 1 1 141 141 PHE CA C 141 61.733 61.733 61.473 0.260 19036 6278 1 9 . 1 1 141 141 PHE CB C 141 40.089 40.089 39.176 0.913 19036 6279 1 9 . 1 1 141 141 PHE H H 141 8.927 8.927 8.696 0.231 19036 6280 1 9 . 1 1 142 142 VAL N N 142 119.400 119.400 118.874 0.526 19036 6281 1 9 . 1 1 142 142 VAL HA H 142 3.152 3.152 3.422 -0.270 19036 6282 1 9 . 1 1 142 142 VAL CA C 142 67.139 67.139 67.249 -0.110 19036 6283 1 9 . 1 1 142 142 VAL CB C 142 31.622 31.622 31.825 -0.203 19036 6284 1 9 . 1 1 142 142 VAL H H 142 8.635 8.635 8.754 -0.119 19036 6285 1 9 . 1 1 143 143 GLN N N 143 118.420 118.420 117.349 1.071 19036 6286 1 9 . 1 1 143 143 GLN HA H 143 3.902 3.902 3.978 -0.076 19036 6287 1 9 . 1 1 143 143 GLN CA C 143 58.894 58.894 58.014 0.880 19036 6288 1 9 . 1 1 143 143 GLN CB C 143 28.186 28.186 28.646 -0.460 19036 6289 1 9 . 1 1 143 143 GLN H H 143 7.516 7.516 8.157 -0.641 19036 6290 1 9 . 1 1 144 144 MET N N 144 119.410 119.410 116.468 2.942 19036 6291 1 9 . 1 1 144 144 MET HA H 144 4.113 4.113 4.099 0.014 19036 6292 1 9 . 1 1 144 144 MET CA C 144 58.360 58.360 57.935 0.425 19036 6293 1 9 . 1 1 144 144 MET CB C 144 33.188 33.188 32.950 0.238 19036 6294 1 9 . 1 1 144 144 MET H H 144 7.867 7.867 8.154 -0.287 19036 6295 1 9 . 1 1 145 145 MET N N 145 114.770 114.770 114.850 -0.080 19036 6296 1 9 . 1 1 145 145 MET HA H 145 4.263 4.263 4.249 0.014 19036 6297 1 9 . 1 1 145 145 MET CA C 145 55.607 55.607 56.828 -1.221 19036 6298 1 9 . 1 1 145 145 MET CB C 145 32.224 32.224 32.605 -0.381 19036 6299 1 9 . 1 1 145 145 MET H H 145 7.796 7.796 7.423 0.373 19036 6300 1 9 . 1 1 146 146 THR N N 146 111.500 111.500 116.286 -4.786 19036 6301 1 9 . 1 1 146 146 THR HA H 146 4.325 4.325 4.158 0.167 19036 6302 1 9 . 1 1 146 146 THR CA C 146 62.420 62.420 62.779 -0.359 19036 6303 1 9 . 1 1 146 146 THR CB C 146 70.327 70.327 66.378 3.949 19036 6304 1 9 . 1 1 146 146 THR H H 146 7.591 7.591 7.658 -0.067 19036 6305 1 9 . 1 1 147 147 ALA N N 147 127.110 127.110 124.786 2.324 19036 6306 1 9 . 1 1 147 147 ALA HA H 147 4.319 4.319 4.581 -0.262 19036 6307 1 9 . 1 1 147 147 ALA CA C 147 52.991 52.991 51.070 1.921 19036 6308 1 9 . 1 1 147 147 ALA CB C 147 19.162 19.162 20.889 -1.727 19036 6309 1 9 . 1 1 147 147 ALA H H 147 7.827 7.827 8.293 -0.466 19036 6310 1 10 . 1 1 2 2 ASP HA H 2 4.654 4.654 4.675 -0.021 19036 6311 1 10 . 1 1 2 2 ASP CA C 2 54.799 54.799 53.974 0.826 19036 6312 1 10 . 1 1 2 2 ASP CB C 2 41.496 41.496 40.794 0.702 19036 6313 1 10 . 1 1 3 3 GLN N N 3 119.900 119.900 119.741 0.159 19036 6314 1 10 . 1 1 3 3 GLN HA H 3 4.399 4.399 4.382 0.017 19036 6315 1 10 . 1 1 3 3 GLN CA C 3 55.646 55.646 55.489 0.157 19036 6316 1 10 . 1 1 3 3 GLN CB C 3 29.996 29.996 29.638 0.358 19036 6317 1 10 . 1 1 3 3 GLN H H 3 8.385 8.385 7.994 0.391 19036 6318 1 10 . 1 1 4 4 LEU N N 4 123.270 123.270 122.052 1.218 19036 6319 1 10 . 1 1 4 4 LEU HA H 4 4.681 4.681 4.414 0.267 19036 6320 1 10 . 1 1 4 4 LEU CA C 4 54.516 54.516 54.743 -0.227 19036 6321 1 10 . 1 1 4 4 LEU CB C 4 43.666 43.666 43.176 0.490 19036 6322 1 10 . 1 1 4 4 LEU H H 4 8.351 8.351 7.612 0.739 19036 6323 1 10 . 1 1 5 5 THR N N 5 113.150 113.150 114.312 -1.162 19036 6324 1 10 . 1 1 5 5 THR HA H 5 4.479 4.479 4.652 -0.173 19036 6325 1 10 . 1 1 5 5 THR CA C 5 60.553 60.553 60.090 0.463 19036 6326 1 10 . 1 1 5 5 THR CB C 5 71.232 71.232 71.631 -0.399 19036 6327 1 10 . 1 1 5 5 THR H H 5 8.764 8.764 8.139 0.625 19036 6328 1 10 . 1 1 6 6 GLU N N 6 120.490 120.490 122.468 -1.978 19036 6329 1 10 . 1 1 6 6 GLU HA H 6 3.994 3.994 3.935 0.059 19036 6330 1 10 . 1 1 6 6 GLU CA C 6 60.091 60.091 60.045 0.046 19036 6331 1 10 . 1 1 6 6 GLU CB C 6 29.307 29.307 29.344 -0.037 19036 6332 1 10 . 1 1 6 6 GLU H H 6 9.066 9.066 8.974 0.092 19036 6333 1 10 . 1 1 7 7 GLU N N 7 119.640 119.640 118.339 1.301 19036 6334 1 10 . 1 1 7 7 GLU HA H 7 4.081 4.081 3.998 0.083 19036 6335 1 10 . 1 1 7 7 GLU CA C 7 60.055 60.055 59.211 0.844 19036 6336 1 10 . 1 1 7 7 GLU CB C 7 29.194 29.194 28.876 0.318 19036 6337 1 10 . 1 1 7 7 GLU H H 7 8.769 8.769 8.690 0.079 19036 6338 1 10 . 1 1 8 8 GLN N N 8 120.420 120.420 119.538 0.882 19036 6339 1 10 . 1 1 8 8 GLN HA H 8 3.857 3.857 3.852 0.005 19036 6340 1 10 . 1 1 8 8 GLN CA C 8 58.691 58.691 58.508 0.183 19036 6341 1 10 . 1 1 8 8 GLN CB C 8 29.295 29.295 28.474 0.821 19036 6342 1 10 . 1 1 8 8 GLN H H 8 7.779 7.779 7.470 0.309 19036 6343 1 10 . 1 1 9 9 ILE N N 9 119.530 119.530 119.571 -0.041 19036 6344 1 10 . 1 1 9 9 ILE HA H 9 3.699 3.699 3.613 0.086 19036 6345 1 10 . 1 1 9 9 ILE CA C 9 66.284 66.284 64.482 1.802 19036 6346 1 10 . 1 1 9 9 ILE CB C 9 37.882 37.882 37.864 0.018 19036 6347 1 10 . 1 1 9 9 ILE H H 9 8.391 8.391 7.441 0.950 19036 6348 1 10 . 1 1 10 10 ALA N N 10 121.270 121.270 120.866 0.404 19036 6349 1 10 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.977 0.163 19036 6350 1 10 . 1 1 10 10 ALA CA C 10 55.569 55.569 55.476 0.093 19036 6351 1 10 . 1 1 10 10 ALA CB C 10 17.977 17.977 17.871 0.106 19036 6352 1 10 . 1 1 10 10 ALA H H 10 8.040 8.040 7.585 0.455 19036 6353 1 10 . 1 1 11 11 GLU N N 11 119.830 119.830 118.286 1.544 19036 6354 1 10 . 1 1 11 11 GLU HA H 11 4.159 4.159 4.089 0.070 19036 6355 1 10 . 1 1 11 11 GLU CA C 11 59.438 59.438 59.123 0.315 19036 6356 1 10 . 1 1 11 11 GLU CB C 11 29.098 29.098 29.171 -0.073 19036 6357 1 10 . 1 1 11 11 GLU H H 11 7.841 7.841 7.579 0.262 19036 6358 1 10 . 1 1 12 12 PHE N N 12 120.250 120.250 117.551 2.699 19036 6359 1 10 . 1 1 12 12 PHE HA H 12 5.033 5.033 4.764 0.269 19036 6360 1 10 . 1 1 12 12 PHE CA C 12 59.113 59.113 57.000 2.113 19036 6361 1 10 . 1 1 12 12 PHE CB C 12 37.727 37.727 38.389 -0.662 19036 6362 1 10 . 1 1 12 12 PHE H H 12 8.641 8.641 7.113 1.528 19036 6363 1 10 . 1 1 13 13 LYS N N 13 123.680 123.680 122.039 1.641 19036 6364 1 10 . 1 1 13 13 LYS HA H 13 4.038 4.038 4.011 0.027 19036 6365 1 10 . 1 1 13 13 LYS CA C 13 60.228 60.228 60.466 -0.238 19036 6366 1 10 . 1 1 13 13 LYS CB C 13 32.020 32.020 32.144 -0.124 19036 6367 1 10 . 1 1 13 13 LYS H H 13 9.273 9.273 8.226 1.047 19036 6368 1 10 . 1 1 14 14 GLU N N 14 120.480 120.480 118.362 2.118 19036 6369 1 10 . 1 1 14 14 GLU HA H 14 4.150 4.150 4.069 0.081 19036 6370 1 10 . 1 1 14 14 GLU CA C 14 59.283 59.283 59.256 0.027 19036 6371 1 10 . 1 1 14 14 GLU CB C 14 29.163 29.163 29.545 -0.382 19036 6372 1 10 . 1 1 14 14 GLU H H 14 7.873 7.873 7.730 0.143 19036 6373 1 10 . 1 1 15 15 ALA N N 15 122.590 122.590 121.982 0.608 19036 6374 1 10 . 1 1 15 15 ALA HA H 15 4.285 4.285 4.188 0.097 19036 6375 1 10 . 1 1 15 15 ALA CA C 15 55.370 55.370 54.793 0.577 19036 6376 1 10 . 1 1 15 15 ALA CB C 15 18.190 18.190 18.763 -0.573 19036 6377 1 10 . 1 1 15 15 ALA H H 15 8.045 8.045 7.745 0.300 19036 6378 1 10 . 1 1 16 16 PHE N N 16 119.110 119.110 119.493 -0.383 19036 6379 1 10 . 1 1 16 16 PHE HA H 16 3.314 3.314 3.969 -0.655 19036 6380 1 10 . 1 1 16 16 PHE CA C 16 62.091 62.091 60.513 1.578 19036 6381 1 10 . 1 1 16 16 PHE CB C 16 39.813 39.813 39.360 0.453 19036 6382 1 10 . 1 1 16 16 PHE H H 16 8.804 8.804 8.295 0.509 19036 6383 1 10 . 1 1 17 17 SER N N 17 113.200 113.200 114.000 -0.800 19036 6384 1 10 . 1 1 17 17 SER HA H 17 4.139 4.139 3.990 0.149 19036 6385 1 10 . 1 1 17 17 SER CA C 17 61.542 61.542 61.261 0.281 19036 6386 1 10 . 1 1 17 17 SER CB C 17 63.424 63.424 63.276 0.148 19036 6387 1 10 . 1 1 17 17 SER H H 17 8.083 8.083 8.036 0.047 19036 6388 1 10 . 1 1 18 18 LEU N N 18 120.840 120.840 121.271 -0.431 19036 6389 1 10 . 1 1 18 18 LEU HA H 18 3.981 3.981 4.014 -0.033 19036 6390 1 10 . 1 1 18 18 LEU CA C 18 57.258 57.258 57.221 0.037 19036 6391 1 10 . 1 1 18 18 LEU CB C 18 41.565 41.565 42.083 -0.518 19036 6392 1 10 . 1 1 18 18 LEU H H 18 7.436 7.436 7.327 0.109 19036 6393 1 10 . 1 1 19 19 PHE N N 19 114.020 114.020 114.360 -0.340 19036 6394 1 10 . 1 1 19 19 PHE HA H 19 4.237 4.237 4.159 0.078 19036 6395 1 10 . 1 1 19 19 PHE CA C 19 59.258 59.258 59.906 -0.648 19036 6396 1 10 . 1 1 19 19 PHE CB C 19 41.732 41.732 39.131 2.601 19036 6397 1 10 . 1 1 19 19 PHE H H 19 7.180 7.180 7.403 -0.223 19036 6398 1 10 . 1 1 20 20 ASP N N 20 117.440 117.440 118.530 -1.090 19036 6399 1 10 . 1 1 20 20 ASP HA H 20 4.579 4.579 4.574 0.005 19036 6400 1 10 . 1 1 20 20 ASP CA C 20 52.295 52.295 52.608 -0.314 19036 6401 1 10 . 1 1 20 20 ASP CB C 20 39.167 39.167 39.284 -0.117 19036 6402 1 10 . 1 1 20 20 ASP H H 20 7.844 7.844 7.465 0.379 19036 6403 1 10 . 1 1 21 21 LYS N N 21 124.410 124.410 124.274 0.136 19036 6404 1 10 . 1 1 21 21 LYS HA H 21 3.990 3.990 3.966 0.024 19036 6405 1 10 . 1 1 21 21 LYS CA C 21 58.379 58.379 58.593 -0.214 19036 6406 1 10 . 1 1 21 21 LYS CB C 21 32.623 32.623 32.421 0.202 19036 6407 1 10 . 1 1 21 21 LYS H H 21 7.728 7.728 7.883 -0.155 19036 6408 1 10 . 1 1 22 22 ASP N N 22 114.060 114.060 117.624 -3.564 19036 6409 1 10 . 1 1 22 22 ASP HA H 22 4.625 4.625 4.472 0.153 19036 6410 1 10 . 1 1 22 22 ASP CA C 22 52.921 52.921 55.826 -2.905 19036 6411 1 10 . 1 1 22 22 ASP CB C 22 39.728 39.728 40.929 -1.201 19036 6412 1 10 . 1 1 22 22 ASP H H 22 8.095 8.095 8.882 -0.787 19036 6413 1 10 . 1 1 23 23 GLY N N 23 109.390 109.390 107.646 1.744 19036 6414 1 10 . 1 1 23 23 GLY CA C 23 47.250 47.250 45.802 1.448 19036 6415 1 10 . 1 1 23 23 GLY H H 23 7.717 7.717 8.064 -0.347 19036 6416 1 10 . 1 1 24 24 ASP N N 24 120.860 120.860 121.041 -0.181 19036 6417 1 10 . 1 1 24 24 ASP HA H 24 4.564 4.564 4.604 -0.040 19036 6418 1 10 . 1 1 24 24 ASP CA C 24 53.918 53.918 52.984 0.934 19036 6419 1 10 . 1 1 24 24 ASP CB C 24 40.569 40.569 40.300 0.269 19036 6420 1 10 . 1 1 24 24 ASP H H 24 8.472 8.472 7.990 0.482 19036 6421 1 10 . 1 1 25 25 GLY N N 25 113.090 113.090 109.238 3.852 19036 6422 1 10 . 1 1 25 25 GLY CA C 25 45.542 45.542 45.597 -0.055 19036 6423 1 10 . 1 1 25 25 GLY H H 25 10.619 10.619 8.278 2.341 19036 6424 1 10 . 1 1 26 26 THR N N 26 112.600 112.600 110.494 2.106 19036 6425 1 10 . 1 1 26 26 THR HA H 26 5.391 5.391 5.072 0.319 19036 6426 1 10 . 1 1 26 26 THR CA C 26 59.883 59.883 59.839 0.044 19036 6427 1 10 . 1 1 26 26 THR CB C 26 72.786 72.786 72.359 0.427 19036 6428 1 10 . 1 1 26 26 THR H H 26 8.211 8.211 8.603 -0.392 19036 6429 1 10 . 1 1 27 27 ILE N N 27 126.830 126.830 123.227 3.603 19036 6430 1 10 . 1 1 27 27 ILE HA H 27 4.895 4.895 4.427 0.468 19036 6431 1 10 . 1 1 27 27 ILE CA C 27 60.856 60.856 60.431 0.425 19036 6432 1 10 . 1 1 27 27 ILE CB C 27 39.926 39.926 39.356 0.570 19036 6433 1 10 . 1 1 27 27 ILE H H 27 9.876 9.876 8.386 1.490 19036 6434 1 10 . 1 1 28 28 THR N N 28 116.500 116.500 117.304 -0.804 19036 6435 1 10 . 1 1 28 28 THR HA H 28 4.811 4.811 4.946 -0.135 19036 6436 1 10 . 1 1 28 28 THR CA C 28 59.216 59.216 59.780 -0.564 19036 6437 1 10 . 1 1 28 28 THR CB C 28 72.541 72.541 71.642 0.899 19036 6438 1 10 . 1 1 28 28 THR H H 28 8.439 8.439 9.363 -0.924 19036 6439 1 10 . 1 1 29 29 THR N N 29 112.850 112.850 115.332 -2.482 19036 6440 1 10 . 1 1 29 29 THR HA H 29 3.807 3.807 3.907 -0.100 19036 6441 1 10 . 1 1 29 29 THR CA C 29 66.516 66.516 66.062 0.453 19036 6442 1 10 . 1 1 29 29 THR CB C 29 68.018 68.018 68.160 -0.142 19036 6443 1 10 . 1 1 29 29 THR H H 29 9.238 9.238 9.021 0.217 19036 6444 1 10 . 1 1 30 30 LYS N N 30 121.130 121.130 123.026 -1.896 19036 6445 1 10 . 1 1 30 30 LYS HA H 30 4.170 4.170 4.011 0.159 19036 6446 1 10 . 1 1 30 30 LYS CA C 30 59.377 59.377 59.638 -0.261 19036 6447 1 10 . 1 1 30 30 LYS CB C 30 32.823 32.823 32.042 0.781 19036 6448 1 10 . 1 1 30 30 LYS H H 30 7.688 7.688 8.299 -0.611 19036 6449 1 10 . 1 1 31 31 GLU N N 31 121.920 121.920 119.750 2.170 19036 6450 1 10 . 1 1 31 31 GLU HA H 31 4.062 4.062 4.030 0.032 19036 6451 1 10 . 1 1 31 31 GLU CA C 31 59.579 59.579 59.382 0.197 19036 6452 1 10 . 1 1 31 31 GLU CB C 31 29.837 29.837 29.664 0.173 19036 6453 1 10 . 1 1 31 31 GLU H H 31 7.783 7.783 7.529 0.254 19036 6454 1 10 . 1 1 32 32 LEU N N 32 120.570 120.570 121.007 -0.437 19036 6455 1 10 . 1 1 32 32 LEU HA H 32 4.145 4.145 4.082 0.063 19036 6456 1 10 . 1 1 32 32 LEU CA C 32 58.321 58.321 58.104 0.217 19036 6457 1 10 . 1 1 32 32 LEU CB C 32 42.697 42.697 42.115 0.582 19036 6458 1 10 . 1 1 32 32 LEU H H 32 8.705 8.705 8.077 0.628 19036 6459 1 10 . 1 1 33 33 GLY N N 33 105.720 105.720 105.742 -0.022 19036 6460 1 10 . 1 1 33 33 GLY H H 33 8.753 8.753 8.140 0.613 19036 6461 1 10 . 1 1 34 34 THR N N 34 118.370 118.370 119.312 -0.942 19036 6462 1 10 . 1 1 34 34 THR HA H 34 3.961 3.961 3.912 0.049 19036 6463 1 10 . 1 1 34 34 THR CA C 34 67.097 67.097 66.996 0.101 19036 6464 1 10 . 1 1 34 34 THR CB C 34 68.869 68.869 68.813 0.056 19036 6465 1 10 . 1 1 34 34 THR H H 34 8.071 8.071 7.816 0.255 19036 6466 1 10 . 1 1 35 35 VAL N N 35 122.170 122.170 122.037 0.133 19036 6467 1 10 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.824 -0.215 19036 6468 1 10 . 1 1 35 35 VAL CA C 35 66.538 66.538 65.082 1.456 19036 6469 1 10 . 1 1 35 35 VAL CB C 35 31.589 31.589 32.089 -0.500 19036 6470 1 10 . 1 1 35 35 VAL H H 35 7.738 7.738 7.599 0.139 19036 6471 1 10 . 1 1 36 36 MET N N 36 118.620 118.620 118.739 -0.119 19036 6472 1 10 . 1 1 36 36 MET HA H 36 4.043 4.043 4.121 -0.078 19036 6473 1 10 . 1 1 36 36 MET CA C 36 59.594 59.594 58.682 0.912 19036 6474 1 10 . 1 1 36 36 MET CB C 36 31.850 31.850 32.522 -0.672 19036 6475 1 10 . 1 1 36 36 MET H H 36 8.559 8.559 8.653 -0.094 19036 6476 1 10 . 1 1 37 37 ARG N N 37 118.920 118.920 119.274 -0.354 19036 6477 1 10 . 1 1 37 37 ARG HA H 37 4.798 4.798 4.173 0.625 19036 6478 1 10 . 1 1 37 37 ARG CA C 37 59.518 59.518 59.391 0.127 19036 6479 1 10 . 1 1 37 37 ARG CB C 37 30.189 30.189 29.971 0.218 19036 6480 1 10 . 1 1 37 37 ARG H H 37 8.638 8.638 8.707 -0.069 19036 6481 1 10 . 1 1 38 38 SER N N 38 119.000 119.000 115.783 3.217 19036 6482 1 10 . 1 1 38 38 SER HA H 38 4.420 4.420 4.209 0.211 19036 6483 1 10 . 1 1 38 38 SER CA C 38 61.682 61.682 61.203 0.479 19036 6484 1 10 . 1 1 38 38 SER CB C 38 62.890 62.890 62.806 0.084 19036 6485 1 10 . 1 1 38 38 SER H H 38 7.994 7.994 7.532 0.462 19036 6486 1 10 . 1 1 39 39 LEU N N 39 120.790 120.790 121.400 -0.610 19036 6487 1 10 . 1 1 39 39 LEU HA H 39 4.498 4.498 4.267 0.231 19036 6488 1 10 . 1 1 39 39 LEU CA C 39 54.405 54.405 54.924 -0.519 19036 6489 1 10 . 1 1 39 39 LEU CB C 39 41.979 41.979 41.828 0.151 19036 6490 1 10 . 1 1 39 39 LEU H H 39 7.426 7.426 7.438 -0.012 19036 6491 1 10 . 1 1 40 40 GLY N N 40 106.830 106.830 107.275 -0.445 19036 6492 1 10 . 1 1 40 40 GLY CA C 40 45.713 45.713 45.191 0.522 19036 6493 1 10 . 1 1 40 40 GLY H H 40 7.896 7.896 7.794 0.102 19036 6494 1 10 . 1 1 41 41 GLN N N 41 118.330 118.330 119.346 -1.016 19036 6495 1 10 . 1 1 41 41 GLN HA H 41 4.503 4.503 4.515 -0.012 19036 6496 1 10 . 1 1 41 41 GLN CA C 41 54.585 54.585 54.575 0.010 19036 6497 1 10 . 1 1 41 41 GLN CB C 41 30.591 30.591 31.675 -1.085 19036 6498 1 10 . 1 1 41 41 GLN H H 41 7.865 7.865 7.642 0.223 19036 6499 1 10 . 1 1 42 42 ASN N N 42 116.490 116.490 118.283 -1.793 19036 6500 1 10 . 1 1 42 42 ASN HA H 42 5.214 5.214 5.019 0.195 19036 6501 1 10 . 1 1 42 42 ASN CA C 42 51.351 51.351 51.296 0.055 19036 6502 1 10 . 1 1 42 42 ASN CB C 42 39.402 39.402 37.944 1.458 19036 6503 1 10 . 1 1 42 42 ASN H H 42 8.771 8.771 8.587 0.184 19036 6504 1 10 . 1 1 43 43 PRO HA H 43 4.779 4.779 4.963 -0.183 19036 6505 1 10 . 1 1 43 43 PRO CA C 43 62.475 62.475 62.789 -0.314 19036 6506 1 10 . 1 1 43 43 PRO CB C 43 32.084 32.084 33.450 -1.366 19036 6507 1 10 . 1 1 44 44 THR N N 44 113.050 113.050 111.441 1.609 19036 6508 1 10 . 1 1 44 44 THR HA H 44 4.487 4.487 4.684 -0.197 19036 6509 1 10 . 1 1 44 44 THR CA C 44 60.565 60.565 59.933 0.632 19036 6510 1 10 . 1 1 44 44 THR CB C 44 71.260 71.260 71.326 -0.066 19036 6511 1 10 . 1 1 44 44 THR H H 44 8.808 8.808 8.163 0.645 19036 6512 1 10 . 1 1 45 45 GLU N N 45 120.700 120.700 121.660 -0.960 19036 6513 1 10 . 1 1 45 45 GLU HA H 45 4.001 4.001 3.999 0.002 19036 6514 1 10 . 1 1 45 45 GLU CA C 45 60.082 60.082 59.835 0.247 19036 6515 1 10 . 1 1 45 45 GLU CB C 45 29.129 29.129 29.346 -0.217 19036 6516 1 10 . 1 1 45 45 GLU H H 45 8.842 8.842 9.005 -0.163 19036 6517 1 10 . 1 1 46 46 ALA N N 46 120.880 120.880 120.991 -0.111 19036 6518 1 10 . 1 1 46 46 ALA HA H 46 4.125 4.125 4.130 -0.005 19036 6519 1 10 . 1 1 46 46 ALA CA C 46 55.125 55.125 54.766 0.359 19036 6520 1 10 . 1 1 46 46 ALA CB C 46 18.342 18.342 17.938 0.404 19036 6521 1 10 . 1 1 46 46 ALA H H 46 8.305 8.305 8.316 -0.011 19036 6522 1 10 . 1 1 47 47 GLU N N 47 118.780 118.780 119.568 -0.788 19036 6523 1 10 . 1 1 47 47 GLU HA H 47 4.040 4.040 4.063 -0.023 19036 6524 1 10 . 1 1 47 47 GLU CA C 47 59.144 59.144 59.134 0.010 19036 6525 1 10 . 1 1 47 47 GLU CB C 47 29.886 29.886 29.652 0.234 19036 6526 1 10 . 1 1 47 47 GLU H H 47 7.736 7.736 7.592 0.144 19036 6527 1 10 . 1 1 48 48 LEU N N 48 120.120 120.120 119.528 0.592 19036 6528 1 10 . 1 1 48 48 LEU HA H 48 4.079 4.079 3.945 0.134 19036 6529 1 10 . 1 1 48 48 LEU CA C 48 57.955 57.955 57.812 0.143 19036 6530 1 10 . 1 1 48 48 LEU CB C 48 42.516 42.516 41.850 0.666 19036 6531 1 10 . 1 1 48 48 LEU H H 48 8.169 8.169 7.961 0.208 19036 6532 1 10 . 1 1 49 49 GLN N N 49 118.390 118.390 119.315 -0.925 19036 6533 1 10 . 1 1 49 49 GLN HA H 49 3.849 3.849 3.920 -0.071 19036 6534 1 10 . 1 1 49 49 GLN CA C 49 58.676 58.676 59.147 -0.471 19036 6535 1 10 . 1 1 49 49 GLN CB C 49 28.341 28.341 28.136 0.205 19036 6536 1 10 . 1 1 49 49 GLN H H 49 8.235 8.235 8.356 -0.121 19036 6537 1 10 . 1 1 50 50 ASP N N 50 120.090 120.090 120.049 0.041 19036 6538 1 10 . 1 1 50 50 ASP HA H 50 4.439 4.439 4.374 0.065 19036 6539 1 10 . 1 1 50 50 ASP CA C 50 57.643 57.643 56.934 0.709 19036 6540 1 10 . 1 1 50 50 ASP CB C 50 40.366 40.366 40.669 -0.303 19036 6541 1 10 . 1 1 50 50 ASP H H 50 8.164 8.164 7.737 0.427 19036 6542 1 10 . 1 1 51 51 MET N N 51 119.330 119.330 118.912 0.418 19036 6543 1 10 . 1 1 51 51 MET HA H 51 4.021 4.021 4.100 -0.079 19036 6544 1 10 . 1 1 51 51 MET CA C 51 59.332 59.332 59.522 -0.190 19036 6545 1 10 . 1 1 51 51 MET CB C 51 33.713 33.713 32.938 0.775 19036 6546 1 10 . 1 1 51 51 MET H H 51 7.909 7.909 7.466 0.443 19036 6547 1 10 . 1 1 52 52 ILE N N 52 118.080 118.080 116.827 1.253 19036 6548 1 10 . 1 1 52 52 ILE HA H 52 3.581 3.581 3.693 -0.112 19036 6549 1 10 . 1 1 52 52 ILE CA C 52 64.476 64.476 64.469 0.007 19036 6550 1 10 . 1 1 52 52 ILE CB C 52 37.177 37.177 37.467 -0.290 19036 6551 1 10 . 1 1 52 52 ILE H H 52 7.767 7.767 7.851 -0.084 19036 6552 1 10 . 1 1 53 53 ASN N N 53 117.980 117.980 119.230 -1.250 19036 6553 1 10 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.453 -0.036 19036 6554 1 10 . 1 1 53 53 ASN CA C 53 55.988 55.988 56.146 -0.158 19036 6555 1 10 . 1 1 53 53 ASN CB C 53 38.211 38.211 38.048 0.163 19036 6556 1 10 . 1 1 53 53 ASN H H 53 8.669 8.669 8.612 0.057 19036 6557 1 10 . 1 1 54 54 GLU N N 54 116.350 116.350 119.026 -2.676 19036 6558 1 10 . 1 1 54 54 GLU HA H 54 4.066 4.066 4.122 -0.056 19036 6559 1 10 . 1 1 54 54 GLU CA C 54 58.930 58.930 58.765 0.165 19036 6560 1 10 . 1 1 54 54 GLU CB C 54 30.404 30.404 29.866 0.538 19036 6561 1 10 . 1 1 54 54 GLU H H 54 7.566 7.566 7.955 -0.389 19036 6562 1 10 . 1 1 55 55 VAL N N 55 110.520 110.520 116.820 -6.300 19036 6563 1 10 . 1 1 55 55 VAL HA H 55 4.366 4.366 4.268 0.098 19036 6564 1 10 . 1 1 55 55 VAL CA C 55 61.089 61.089 60.524 0.565 19036 6565 1 10 . 1 1 55 55 VAL CB C 55 33.088 33.088 32.513 0.575 19036 6566 1 10 . 1 1 55 55 VAL H H 55 7.242 7.242 7.416 -0.174 19036 6567 1 10 . 1 1 56 56 ASP N N 56 121.390 121.390 121.510 -0.120 19036 6568 1 10 . 1 1 56 56 ASP HA H 56 4.582 4.582 4.706 -0.124 19036 6569 1 10 . 1 1 56 56 ASP CA C 56 53.916 53.916 53.517 0.399 19036 6570 1 10 . 1 1 56 56 ASP CB C 56 40.588 40.588 40.258 0.330 19036 6571 1 10 . 1 1 56 56 ASP H H 56 7.749 7.749 7.554 0.195 19036 6572 1 10 . 1 1 57 57 ALA N N 57 131.640 131.640 129.781 1.859 19036 6573 1 10 . 1 1 57 57 ALA HA H 57 4.247 4.247 4.221 0.026 19036 6574 1 10 . 1 1 57 57 ALA CA C 57 54.341 54.341 53.431 0.910 19036 6575 1 10 . 1 1 57 57 ALA CB C 57 19.800 19.800 19.939 -0.139 19036 6576 1 10 . 1 1 57 57 ALA H H 57 8.323 8.323 8.189 0.134 19036 6577 1 10 . 1 1 58 58 ASP N N 58 114.000 114.000 116.392 -2.392 19036 6578 1 10 . 1 1 58 58 ASP HA H 58 4.682 4.682 4.620 0.062 19036 6579 1 10 . 1 1 58 58 ASP CA C 58 52.705 52.705 53.243 -0.538 19036 6580 1 10 . 1 1 58 58 ASP CB C 58 39.931 39.931 40.662 -0.731 19036 6581 1 10 . 1 1 58 58 ASP H H 58 8.240 8.240 7.988 0.252 19036 6582 1 10 . 1 1 59 59 GLY N N 59 108.660 108.660 108.594 0.066 19036 6583 1 10 . 1 1 59 59 GLY CA C 59 47.306 47.306 46.038 1.268 19036 6584 1 10 . 1 1 59 59 GLY H H 59 7.635 7.635 8.590 -0.955 19036 6585 1 10 . 1 1 60 60 ASN N N 60 118.730 118.730 119.018 -0.288 19036 6586 1 10 . 1 1 60 60 ASN HA H 60 4.658 4.658 4.726 -0.068 19036 6587 1 10 . 1 1 60 60 ASN CA C 60 52.805 52.805 52.134 0.671 19036 6588 1 10 . 1 1 60 60 ASN CB C 60 37.716 37.716 38.635 -0.919 19036 6589 1 10 . 1 1 60 60 ASN H H 60 8.184 8.184 9.140 -0.956 19036 6590 1 10 . 1 1 61 61 GLY N N 61 113.430 113.430 109.919 3.511 19036 6591 1 10 . 1 1 61 61 GLY CA C 61 45.753 45.753 46.270 -0.517 19036 6592 1 10 . 1 1 61 61 GLY H H 61 10.605 10.605 8.497 2.108 19036 6593 1 10 . 1 1 62 62 THR N N 62 108.750 108.750 109.793 -1.043 19036 6594 1 10 . 1 1 62 62 THR HA H 62 4.874 4.874 4.877 -0.003 19036 6595 1 10 . 1 1 62 62 THR CA C 62 59.541 59.541 59.740 -0.199 19036 6596 1 10 . 1 1 62 62 THR CB C 62 72.168 72.168 72.338 -0.170 19036 6597 1 10 . 1 1 62 62 THR H H 62 7.699 7.699 8.332 -0.633 19036 6598 1 10 . 1 1 63 63 ILE N N 63 123.510 123.510 123.210 0.300 19036 6599 1 10 . 1 1 63 63 ILE HA H 63 5.160 5.160 4.657 0.503 19036 6600 1 10 . 1 1 63 63 ILE CA C 63 59.959 59.959 60.494 -0.535 19036 6601 1 10 . 1 1 63 63 ILE CB C 63 39.836 39.836 39.434 0.402 19036 6602 1 10 . 1 1 63 63 ILE H H 63 8.823 8.823 8.094 0.729 19036 6603 1 10 . 1 1 64 64 ASP N N 64 128.370 128.370 128.103 0.267 19036 6604 1 10 . 1 1 64 64 ASP HA H 64 5.463 5.463 5.103 0.360 19036 6605 1 10 . 1 1 64 64 ASP CA C 64 52.257 52.257 53.297 -1.040 19036 6606 1 10 . 1 1 64 64 ASP CB C 64 42.416 42.416 42.290 0.126 19036 6607 1 10 . 1 1 64 64 ASP H H 64 8.946 8.946 8.337 0.609 19036 6608 1 10 . 1 1 65 65 PHE N N 65 118.870 118.870 124.000 -5.130 19036 6609 1 10 . 1 1 65 65 PHE HA H 65 4.028 4.028 3.735 0.293 19036 6610 1 10 . 1 1 65 65 PHE CA C 65 63.404 63.404 62.587 0.817 19036 6611 1 10 . 1 1 65 65 PHE CB C 65 36.123 36.123 36.642 -0.519 19036 6612 1 10 . 1 1 65 65 PHE H H 65 9.000 9.000 8.683 0.317 19036 6613 1 10 . 1 1 66 66 PRO HA H 66 3.918 3.918 3.569 0.349 19036 6614 1 10 . 1 1 66 66 PRO CA C 66 66.799 66.799 65.830 0.969 19036 6615 1 10 . 1 1 66 66 PRO CB C 66 30.789 30.789 30.717 0.072 19036 6616 1 10 . 1 1 67 67 GLU N N 67 117.930 117.930 119.112 -1.182 19036 6617 1 10 . 1 1 67 67 GLU HA H 67 4.088 4.088 3.972 0.116 19036 6618 1 10 . 1 1 67 67 GLU CA C 67 58.965 58.965 59.303 -0.338 19036 6619 1 10 . 1 1 67 67 GLU CB C 67 29.677 29.677 29.195 0.482 19036 6620 1 10 . 1 1 67 67 GLU H H 67 8.185 8.185 7.687 0.498 19036 6621 1 10 . 1 1 68 68 PHE N N 68 123.830 123.830 121.431 2.399 19036 6622 1 10 . 1 1 68 68 PHE HA H 68 3.957 3.957 4.202 -0.245 19036 6623 1 10 . 1 1 68 68 PHE CA C 68 61.439 61.439 60.783 0.656 19036 6624 1 10 . 1 1 68 68 PHE CB C 68 40.429 40.429 39.189 1.240 19036 6625 1 10 . 1 1 68 68 PHE H H 68 8.794 8.794 8.238 0.556 19036 6626 1 10 . 1 1 69 69 LEU N N 69 119.410 119.410 119.599 -0.189 19036 6627 1 10 . 1 1 69 69 LEU HA H 69 3.394 3.394 3.512 -0.118 19036 6628 1 10 . 1 1 69 69 LEU CA C 69 58.042 58.042 57.960 0.082 19036 6629 1 10 . 1 1 69 69 LEU CB C 69 41.246 41.246 41.224 0.021 19036 6630 1 10 . 1 1 69 69 LEU H H 69 8.662 8.662 8.241 0.421 19036 6631 1 10 . 1 1 70 70 THR N N 70 115.700 115.700 115.499 0.201 19036 6632 1 10 . 1 1 70 70 THR HA H 70 3.783 3.783 3.730 0.053 19036 6633 1 10 . 1 1 70 70 THR CA C 70 66.623 66.623 66.866 -0.243 19036 6634 1 10 . 1 1 70 70 THR CB C 70 68.592 68.592 68.564 0.028 19036 6635 1 10 . 1 1 70 70 THR H H 70 7.744 7.744 7.570 0.174 19036 6636 1 10 . 1 1 71 71 MET N N 71 121.350 121.350 121.456 -0.106 19036 6637 1 10 . 1 1 71 71 MET HA H 71 3.889 3.889 3.823 0.066 19036 6638 1 10 . 1 1 71 71 MET CA C 71 58.859 58.859 59.418 -0.559 19036 6639 1 10 . 1 1 71 71 MET CB C 71 32.676 32.676 32.533 0.143 19036 6640 1 10 . 1 1 71 71 MET H H 71 7.622 7.622 7.343 0.279 19036 6641 1 10 . 1 1 72 72 MET N N 72 117.390 117.390 116.238 1.152 19036 6642 1 10 . 1 1 72 72 MET HA H 72 3.973 3.973 3.959 0.014 19036 6643 1 10 . 1 1 72 72 MET CA C 72 56.030 56.030 57.302 -1.272 19036 6644 1 10 . 1 1 72 72 MET CB C 72 30.934 30.934 31.193 -0.259 19036 6645 1 10 . 1 1 72 72 MET H H 72 8.066 8.066 7.594 0.472 19036 6646 1 10 . 1 1 73 73 ALA N N 73 121.670 121.670 121.063 0.607 19036 6647 1 10 . 1 1 73 73 ALA HA H 73 4.103 4.103 4.174 -0.071 19036 6648 1 10 . 1 1 73 73 ALA CA C 73 54.517 54.517 53.779 0.738 19036 6649 1 10 . 1 1 73 73 ALA CB C 73 18.381 18.381 18.549 -0.168 19036 6650 1 10 . 1 1 73 73 ALA H H 73 8.276 8.276 7.729 0.547 19036 6651 1 10 . 1 1 74 74 ARG N N 74 117.220 117.220 118.916 -1.696 19036 6652 1 10 . 1 1 74 74 ARG HA H 74 4.113 4.113 3.890 0.223 19036 6653 1 10 . 1 1 74 74 ARG CA C 74 58.327 58.327 59.260 -0.933 19036 6654 1 10 . 1 1 74 74 ARG CB C 74 30.378 30.378 29.792 0.586 19036 6655 1 10 . 1 1 74 74 ARG H H 74 7.539 7.539 8.139 -0.600 19036 6656 1 10 . 1 1 75 75 LYS N N 75 119.120 119.120 119.325 -0.205 19036 6657 1 10 . 1 1 75 75 LYS HA H 75 4.261 4.261 3.973 0.288 19036 6658 1 10 . 1 1 75 75 LYS CA C 75 56.990 56.990 59.224 -2.234 19036 6659 1 10 . 1 1 75 75 LYS CB C 75 32.412 32.412 31.996 0.416 19036 6660 1 10 . 1 1 75 75 LYS H H 75 7.833 7.833 7.332 0.501 19036 6661 1 10 . 1 1 76 76 MET N N 76 118.860 118.860 116.859 2.001 19036 6662 1 10 . 1 1 76 76 MET HA H 76 4.370 4.370 4.261 0.109 19036 6663 1 10 . 1 1 76 76 MET CA C 76 56.700 56.700 57.449 -0.749 19036 6664 1 10 . 1 1 76 76 MET CB C 76 32.981 32.981 32.215 0.766 19036 6665 1 10 . 1 1 76 76 MET H H 76 8.000 8.000 7.749 0.251 19036 6666 1 10 . 1 1 77 77 LYS N N 77 120.200 120.200 119.321 0.879 19036 6667 1 10 . 1 1 77 77 LYS HA H 77 4.352 4.352 4.117 0.235 19036 6668 1 10 . 1 1 77 77 LYS CA C 77 56.709 56.709 57.020 -0.312 19036 6669 1 10 . 1 1 77 77 LYS CB C 77 33.138 33.138 32.966 0.172 19036 6670 1 10 . 1 1 77 77 LYS H H 77 7.866 7.866 7.690 0.176 19036 6671 1 10 . 1 1 78 78 ASP N N 78 121.430 121.430 117.228 4.202 19036 6672 1 10 . 1 1 78 78 ASP HA H 78 4.691 4.691 4.395 0.296 19036 6673 1 10 . 1 1 78 78 ASP CA C 78 54.771 54.771 55.173 -0.402 19036 6674 1 10 . 1 1 78 78 ASP CB C 78 41.222 41.222 39.278 1.944 19036 6675 1 10 . 1 1 78 78 ASP H H 78 8.250 8.250 7.973 0.278 19036 6676 1 10 . 1 1 79 79 THR N N 79 114.390 114.390 113.877 0.513 19036 6677 1 10 . 1 1 79 79 THR HA H 79 4.337 4.337 4.364 -0.027 19036 6678 1 10 . 1 1 79 79 THR CA C 79 62.349 62.349 62.962 -0.612 19036 6679 1 10 . 1 1 79 79 THR CB C 79 69.875 69.875 68.884 0.991 19036 6680 1 10 . 1 1 79 79 THR H H 79 8.093 8.093 8.190 -0.097 19036 6681 1 10 . 1 1 80 80 ASP N N 80 123.460 123.460 120.145 3.315 19036 6682 1 10 . 1 1 80 80 ASP HA H 80 4.721 4.721 4.555 0.166 19036 6683 1 10 . 1 1 80 80 ASP CA C 80 54.655 54.655 55.910 -1.255 19036 6684 1 10 . 1 1 80 80 ASP CB C 80 41.416 41.416 39.798 1.618 19036 6685 1 10 . 1 1 80 80 ASP H H 80 8.455 8.455 8.703 -0.248 19036 6686 1 10 . 1 1 81 81 SER N N 81 117.440 117.440 114.371 3.069 19036 6687 1 10 . 1 1 81 81 SER HA H 81 4.455 4.455 4.245 0.210 19036 6688 1 10 . 1 1 81 81 SER CA C 81 59.571 59.571 60.896 -1.325 19036 6689 1 10 . 1 1 81 81 SER CB C 81 63.825 63.825 62.689 1.136 19036 6690 1 10 . 1 1 81 81 SER H H 81 8.505 8.505 8.456 0.049 19036 6691 1 10 . 1 1 82 82 GLU N N 82 122.380 122.380 121.333 1.047 19036 6692 1 10 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.033 0.152 19036 6693 1 10 . 1 1 82 82 GLU CA C 82 58.800 58.800 59.152 -0.352 19036 6694 1 10 . 1 1 82 82 GLU CB C 82 29.660 29.660 29.134 0.526 19036 6695 1 10 . 1 1 82 82 GLU H H 82 8.508 8.508 7.683 0.825 19036 6696 1 10 . 1 1 83 83 GLU N N 83 119.670 119.670 120.409 -0.739 19036 6697 1 10 . 1 1 83 83 GLU HA H 83 4.085 4.085 4.041 0.044 19036 6698 1 10 . 1 1 83 83 GLU CA C 83 59.576 59.576 59.554 0.022 19036 6699 1 10 . 1 1 83 83 GLU CB C 83 29.410 29.410 29.569 -0.159 19036 6700 1 10 . 1 1 83 83 GLU H H 83 8.297 8.297 8.401 -0.104 19036 6701 1 10 . 1 1 84 84 GLU N N 84 118.700 118.700 119.630 -0.930 19036 6702 1 10 . 1 1 84 84 GLU HA H 84 4.135 4.135 4.165 -0.030 19036 6703 1 10 . 1 1 84 84 GLU CA C 84 59.523 59.523 59.335 0.188 19036 6704 1 10 . 1 1 84 84 GLU CB C 84 29.607 29.607 29.356 0.251 19036 6705 1 10 . 1 1 84 84 GLU H H 84 8.218 8.218 7.764 0.454 19036 6706 1 10 . 1 1 85 85 ILE N N 85 121.500 121.500 120.580 0.920 19036 6707 1 10 . 1 1 85 85 ILE HA H 85 3.981 3.981 3.746 0.235 19036 6708 1 10 . 1 1 85 85 ILE CA C 85 64.941 64.941 65.274 -0.333 19036 6709 1 10 . 1 1 85 85 ILE CB C 85 37.484 37.484 37.836 -0.351 19036 6710 1 10 . 1 1 85 85 ILE H H 85 7.980 7.980 8.505 -0.525 19036 6711 1 10 . 1 1 86 86 ARG N N 86 121.710 121.710 118.582 3.128 19036 6712 1 10 . 1 1 86 86 ARG HA H 86 4.186 4.186 4.382 -0.196 19036 6713 1 10 . 1 1 86 86 ARG CA C 86 60.202 60.202 59.577 0.625 19036 6714 1 10 . 1 1 86 86 ARG CB C 86 30.026 30.026 30.117 -0.091 19036 6715 1 10 . 1 1 86 86 ARG H H 86 8.471 8.471 7.945 0.526 19036 6716 1 10 . 1 1 87 87 GLU N N 87 118.710 118.710 120.785 -2.075 19036 6717 1 10 . 1 1 87 87 GLU HA H 87 4.179 4.179 4.230 -0.051 19036 6718 1 10 . 1 1 87 87 GLU CA C 87 58.995 58.995 59.020 -0.025 19036 6719 1 10 . 1 1 87 87 GLU CB C 87 29.201 29.201 29.312 -0.111 19036 6720 1 10 . 1 1 87 87 GLU H H 87 8.211 8.211 7.890 0.321 19036 6721 1 10 . 1 1 88 88 ALA N N 88 121.910 121.910 122.076 -0.166 19036 6722 1 10 . 1 1 88 88 ALA HA H 88 4.180 4.180 4.209 -0.029 19036 6723 1 10 . 1 1 88 88 ALA CA C 88 55.275 55.275 55.020 0.255 19036 6724 1 10 . 1 1 88 88 ALA CB C 88 17.936 17.936 18.249 -0.313 19036 6725 1 10 . 1 1 88 88 ALA H H 88 8.037 8.037 8.320 -0.283 19036 6726 1 10 . 1 1 89 89 PHE N N 89 118.790 118.790 119.094 -0.304 19036 6727 1 10 . 1 1 89 89 PHE HA H 89 3.188 3.188 3.589 -0.401 19036 6728 1 10 . 1 1 89 89 PHE CA C 89 62.283 62.283 61.238 1.045 19036 6729 1 10 . 1 1 89 89 PHE CB C 89 39.238 39.238 38.893 0.345 19036 6730 1 10 . 1 1 89 89 PHE H H 89 8.623 8.623 7.890 0.733 19036 6731 1 10 . 1 1 90 90 ARG N N 90 115.890 115.890 118.049 -2.159 19036 6732 1 10 . 1 1 90 90 ARG HA H 90 3.906 3.906 4.146 -0.240 19036 6733 1 10 . 1 1 90 90 ARG CA C 90 58.950 58.950 59.381 -0.431 19036 6734 1 10 . 1 1 90 90 ARG CB C 90 30.414 30.414 30.212 0.202 19036 6735 1 10 . 1 1 90 90 ARG H H 90 7.775 7.775 8.090 -0.315 19036 6736 1 10 . 1 1 91 91 VAL N N 91 118.320 118.320 117.566 0.754 19036 6737 1 10 . 1 1 91 91 VAL HA H 91 3.515 3.515 3.725 -0.210 19036 6738 1 10 . 1 1 91 91 VAL CA C 91 65.726 65.726 64.928 0.798 19036 6739 1 10 . 1 1 91 91 VAL CB C 91 31.579 31.579 31.794 -0.215 19036 6740 1 10 . 1 1 91 91 VAL H H 91 7.538 7.538 7.240 0.298 19036 6741 1 10 . 1 1 92 92 PHE N N 92 115.750 115.750 116.915 -1.165 19036 6742 1 10 . 1 1 92 92 PHE HA H 92 4.247 4.247 4.162 0.085 19036 6743 1 10 . 1 1 92 92 PHE CA C 92 60.241 60.241 60.709 -0.468 19036 6744 1 10 . 1 1 92 92 PHE CB C 92 40.951 40.951 39.216 1.735 19036 6745 1 10 . 1 1 92 92 PHE H H 92 7.381 7.381 7.808 -0.427 19036 6746 1 10 . 1 1 93 93 ASP N N 93 116.590 116.590 118.278 -1.688 19036 6747 1 10 . 1 1 93 93 ASP HA H 93 4.590 4.590 4.794 -0.204 19036 6748 1 10 . 1 1 93 93 ASP CA C 93 52.466 52.466 52.867 -0.401 19036 6749 1 10 . 1 1 93 93 ASP CB C 93 38.478 38.478 39.635 -1.157 19036 6750 1 10 . 1 1 93 93 ASP H H 93 7.900 7.900 7.822 0.078 19036 6751 1 10 . 1 1 94 94 LYS N N 94 126.160 126.160 125.170 0.990 19036 6752 1 10 . 1 1 94 94 LYS HA H 94 3.945 3.945 3.975 -0.030 19036 6753 1 10 . 1 1 94 94 LYS CA C 94 59.072 59.072 58.532 0.540 19036 6754 1 10 . 1 1 94 94 LYS CB C 94 32.589 32.589 32.700 -0.111 19036 6755 1 10 . 1 1 94 94 LYS H H 94 7.790 7.790 7.880 -0.090 19036 6756 1 10 . 1 1 95 95 ASP N N 95 114.060 114.060 116.280 -2.220 19036 6757 1 10 . 1 1 95 95 ASP HA H 95 4.579 4.579 4.494 0.085 19036 6758 1 10 . 1 1 95 95 ASP CA C 95 53.120 53.120 54.875 -1.755 19036 6759 1 10 . 1 1 95 95 ASP CB C 95 40.043 40.043 40.692 -0.649 19036 6760 1 10 . 1 1 95 95 ASP H H 95 8.237 8.237 9.031 -0.794 19036 6761 1 10 . 1 1 96 96 GLY N N 96 109.410 109.410 108.027 1.383 19036 6762 1 10 . 1 1 96 96 GLY CA C 96 47.263 47.263 45.786 1.477 19036 6763 1 10 . 1 1 96 96 GLY H H 96 7.839 7.839 8.420 -0.581 19036 6764 1 10 . 1 1 97 97 ASN N N 97 119.630 119.630 120.302 -0.672 19036 6765 1 10 . 1 1 97 97 ASN HA H 97 4.659 4.659 4.647 0.012 19036 6766 1 10 . 1 1 97 97 ASN CA C 97 52.681 52.681 52.873 -0.192 19036 6767 1 10 . 1 1 97 97 ASN CB C 97 38.311 38.311 38.774 -0.463 19036 6768 1 10 . 1 1 97 97 ASN H H 97 8.377 8.377 8.362 0.015 19036 6769 1 10 . 1 1 98 98 GLY N N 98 112.970 112.970 107.548 5.422 19036 6770 1 10 . 1 1 98 98 GLY CA C 98 45.183 45.183 45.460 -0.277 19036 6771 1 10 . 1 1 98 98 GLY H H 98 10.687 10.687 8.735 1.952 19036 6772 1 10 . 1 1 99 99 TYR N N 99 116.080 116.080 117.356 -1.276 19036 6773 1 10 . 1 1 99 99 TYR HA H 99 5.065 5.065 5.125 -0.060 19036 6774 1 10 . 1 1 99 99 TYR CA C 99 56.198 56.198 56.782 -0.584 19036 6775 1 10 . 1 1 99 99 TYR CB C 99 43.110 43.110 41.870 1.240 19036 6776 1 10 . 1 1 99 99 TYR H H 99 7.671 7.671 8.459 -0.788 19036 6777 1 10 . 1 1 100 100 ILE N N 100 127.320 127.320 123.712 3.608 19036 6778 1 10 . 1 1 100 100 ILE HA H 100 4.780 4.780 4.598 0.182 19036 6779 1 10 . 1 1 100 100 ILE CA C 100 60.731 60.731 59.595 1.136 19036 6780 1 10 . 1 1 100 100 ILE CB C 100 39.050 39.050 39.313 -0.263 19036 6781 1 10 . 1 1 100 100 ILE H H 100 10.163 10.163 8.629 1.534 19036 6782 1 10 . 1 1 101 101 SER N N 101 123.810 123.810 123.127 0.683 19036 6783 1 10 . 1 1 101 101 SER HA H 101 4.898 4.898 4.872 0.026 19036 6784 1 10 . 1 1 101 101 SER CA C 101 55.840 55.840 55.970 -0.130 19036 6785 1 10 . 1 1 101 101 SER CB C 101 66.799 66.799 66.265 0.534 19036 6786 1 10 . 1 1 101 101 SER H H 101 8.970 8.970 8.145 0.825 19036 6787 1 10 . 1 1 102 102 ALA N N 102 123.130 123.130 123.746 -0.616 19036 6788 1 10 . 1 1 102 102 ALA HA H 102 3.927 3.927 3.989 -0.062 19036 6789 1 10 . 1 1 102 102 ALA CA C 102 56.023 56.023 55.349 0.674 19036 6790 1 10 . 1 1 102 102 ALA CB C 102 18.139 18.139 18.399 -0.260 19036 6791 1 10 . 1 1 102 102 ALA H H 102 9.269 9.269 8.953 0.316 19036 6792 1 10 . 1 1 103 103 ALA N N 103 118.460 118.460 120.749 -2.289 19036 6793 1 10 . 1 1 103 103 ALA HA H 103 4.058 4.058 4.114 -0.056 19036 6794 1 10 . 1 1 103 103 ALA CA C 103 55.250 55.250 54.784 0.466 19036 6795 1 10 . 1 1 103 103 ALA CB C 103 18.492 18.492 18.136 0.356 19036 6796 1 10 . 1 1 103 103 ALA H H 103 8.294 8.294 8.443 -0.149 19036 6797 1 10 . 1 1 104 104 GLU N N 104 120.070 120.070 119.154 0.916 19036 6798 1 10 . 1 1 104 104 GLU HA H 104 4.073 4.073 4.031 0.042 19036 6799 1 10 . 1 1 104 104 GLU CA C 104 59.567 59.567 59.157 0.410 19036 6800 1 10 . 1 1 104 104 GLU CB C 104 29.262 29.262 29.534 -0.272 19036 6801 1 10 . 1 1 104 104 GLU H H 104 7.939 7.939 7.669 0.270 19036 6802 1 10 . 1 1 105 105 LEU N N 105 120.990 120.990 120.056 0.934 19036 6803 1 10 . 1 1 105 105 LEU HA H 105 4.133 4.133 4.111 0.022 19036 6804 1 10 . 1 1 105 105 LEU CA C 105 58.618 58.618 58.506 0.112 19036 6805 1 10 . 1 1 105 105 LEU CB C 105 42.210 42.210 42.002 0.208 19036 6806 1 10 . 1 1 105 105 LEU H H 105 8.534 8.534 7.678 0.856 19036 6807 1 10 . 1 1 106 106 ARG N N 106 117.580 117.580 118.911 -1.331 19036 6808 1 10 . 1 1 106 106 ARG HA H 106 3.832 3.832 3.948 -0.116 19036 6809 1 10 . 1 1 106 106 ARG CA C 106 60.041 60.041 59.483 0.558 19036 6810 1 10 . 1 1 106 106 ARG CB C 106 30.648 30.648 30.080 0.568 19036 6811 1 10 . 1 1 106 106 ARG H H 106 8.667 8.667 7.869 0.798 19036 6812 1 10 . 1 1 107 107 HIS N N 107 118.880 118.880 119.153 -0.273 19036 6813 1 10 . 1 1 107 107 HIS HA H 107 4.338 4.338 4.356 -0.018 19036 6814 1 10 . 1 1 107 107 HIS CA C 107 59.771 59.771 58.665 1.106 19036 6815 1 10 . 1 1 107 107 HIS CB C 107 30.491 30.491 29.670 0.821 19036 6816 1 10 . 1 1 107 107 HIS H H 107 8.071 8.071 7.810 0.261 19036 6817 1 10 . 1 1 108 108 VAL N N 108 119.170 119.170 119.021 0.149 19036 6818 1 10 . 1 1 108 108 VAL HA H 108 3.556 3.556 3.325 0.231 19036 6819 1 10 . 1 1 108 108 VAL CA C 108 66.580 66.580 66.359 0.221 19036 6820 1 10 . 1 1 108 108 VAL CB C 108 31.920 31.920 31.672 0.249 19036 6821 1 10 . 1 1 108 108 VAL H H 108 8.107 8.107 7.595 0.512 19036 6822 1 10 . 1 1 109 109 MET N N 109 116.290 116.290 117.423 -1.133 19036 6823 1 10 . 1 1 109 109 MET HA H 109 4.326 4.326 4.085 0.241 19036 6824 1 10 . 1 1 109 109 MET CA C 109 57.824 57.824 59.397 -1.573 19036 6825 1 10 . 1 1 109 109 MET CB C 109 31.052 31.052 32.513 -1.461 19036 6826 1 10 . 1 1 109 109 MET H H 109 8.280 8.280 8.020 0.260 19036 6827 1 10 . 1 1 110 110 THR N N 110 115.190 115.190 116.147 -0.957 19036 6828 1 10 . 1 1 110 110 THR HA H 110 4.166 4.166 4.226 -0.060 19036 6829 1 10 . 1 1 110 110 THR CA C 110 66.182 66.182 66.666 -0.484 19036 6830 1 10 . 1 1 110 110 THR CB C 110 68.951 68.951 68.579 0.372 19036 6831 1 10 . 1 1 110 110 THR H H 110 8.244 8.244 7.933 0.311 19036 6832 1 10 . 1 1 111 111 ASN N N 111 122.310 122.310 119.960 2.350 19036 6833 1 10 . 1 1 111 111 ASN HA H 111 4.502 4.502 4.558 -0.056 19036 6834 1 10 . 1 1 111 111 ASN CA C 111 55.931 55.931 55.400 0.531 19036 6835 1 10 . 1 1 111 111 ASN CB C 111 38.585 38.585 38.025 0.560 19036 6836 1 10 . 1 1 111 111 ASN H H 111 7.904 7.904 7.934 -0.030 19036 6837 1 10 . 1 1 112 112 LEU N N 112 118.850 118.850 118.381 0.469 19036 6838 1 10 . 1 1 112 112 LEU HA H 112 4.354 4.354 4.496 -0.142 19036 6839 1 10 . 1 1 112 112 LEU CA C 112 55.274 55.274 54.623 0.651 19036 6840 1 10 . 1 1 112 112 LEU CB C 112 42.218 42.218 41.726 0.492 19036 6841 1 10 . 1 1 112 112 LEU H H 112 7.873 7.873 7.333 0.540 19036 6842 1 10 . 1 1 113 113 GLY N N 113 106.700 106.700 107.341 -0.641 19036 6843 1 10 . 1 1 113 113 GLY CA C 113 45.596 45.596 45.281 0.315 19036 6844 1 10 . 1 1 113 113 GLY H H 113 7.844 7.844 7.738 0.106 19036 6845 1 10 . 1 1 114 114 GLU N N 114 120.140 120.140 121.494 -1.354 19036 6846 1 10 . 1 1 114 114 GLU HA H 114 4.459 4.459 4.605 -0.146 19036 6847 1 10 . 1 1 114 114 GLU CA C 114 55.046 55.046 55.018 0.028 19036 6848 1 10 . 1 1 114 114 GLU CB C 114 30.469 30.469 31.632 -1.163 19036 6849 1 10 . 1 1 114 114 GLU H H 114 7.946 7.946 7.757 0.189 19036 6850 1 10 . 1 1 115 115 LYS N N 115 124.130 124.130 122.695 1.435 19036 6851 1 10 . 1 1 115 115 LYS HA H 115 4.394 4.394 4.578 -0.184 19036 6852 1 10 . 1 1 115 115 LYS CA C 115 55.794 55.794 55.987 -0.193 19036 6853 1 10 . 1 1 115 115 LYS CB C 115 32.191 32.191 33.763 -1.572 19036 6854 1 10 . 1 1 115 115 LYS H H 115 8.646 8.646 8.495 0.151 19036 6855 1 10 . 1 1 116 116 LEU N N 116 124.840 124.840 125.088 -0.248 19036 6856 1 10 . 1 1 116 116 LEU HA H 116 4.793 4.793 4.805 -0.012 19036 6857 1 10 . 1 1 116 116 LEU CA C 116 54.127 54.127 53.035 1.092 19036 6858 1 10 . 1 1 116 116 LEU CB C 116 44.934 44.934 43.780 1.154 19036 6859 1 10 . 1 1 116 116 LEU H H 116 8.097 8.097 8.255 -0.158 19036 6860 1 10 . 1 1 117 117 THR N N 117 114.690 114.690 110.841 3.849 19036 6861 1 10 . 1 1 117 117 THR HA H 117 4.492 4.492 4.547 -0.055 19036 6862 1 10 . 1 1 117 117 THR CA C 117 60.751 60.751 60.837 -0.086 19036 6863 1 10 . 1 1 117 117 THR CB C 117 71.303 71.303 71.176 0.127 19036 6864 1 10 . 1 1 117 117 THR H H 117 9.252 9.252 7.933 1.319 19036 6865 1 10 . 1 1 118 118 ASP N N 118 121.130 121.130 123.391 -2.261 19036 6866 1 10 . 1 1 118 118 ASP HA H 118 4.232 4.232 4.351 -0.119 19036 6867 1 10 . 1 1 118 118 ASP CA C 118 58.080 58.080 57.630 0.450 19036 6868 1 10 . 1 1 118 118 ASP CB C 118 39.870 39.870 40.486 -0.616 19036 6869 1 10 . 1 1 118 118 ASP H H 118 8.936 8.936 8.972 -0.036 19036 6870 1 10 . 1 1 119 119 GLU N N 119 119.110 119.110 119.476 -0.366 19036 6871 1 10 . 1 1 119 119 GLU HA H 119 4.117 4.117 4.033 0.084 19036 6872 1 10 . 1 1 119 119 GLU CA C 119 60.043 60.043 59.639 0.404 19036 6873 1 10 . 1 1 119 119 GLU CB C 119 29.135 29.135 29.454 -0.319 19036 6874 1 10 . 1 1 119 119 GLU H H 119 8.715 8.715 8.764 -0.049 19036 6875 1 10 . 1 1 120 120 GLU N N 120 120.680 120.680 119.514 1.166 19036 6876 1 10 . 1 1 120 120 GLU HA H 120 4.062 4.062 4.132 -0.070 19036 6877 1 10 . 1 1 120 120 GLU CA C 120 59.138 59.138 59.010 0.129 19036 6878 1 10 . 1 1 120 120 GLU CB C 120 30.420 30.420 29.631 0.789 19036 6879 1 10 . 1 1 120 120 GLU H H 120 7.809 7.809 7.540 0.269 19036 6880 1 10 . 1 1 121 121 VAL N N 121 120.660 120.660 119.773 0.887 19036 6881 1 10 . 1 1 121 121 VAL HA H 121 3.637 3.637 3.626 0.011 19036 6882 1 10 . 1 1 121 121 VAL CA C 121 67.003 67.003 67.336 -0.333 19036 6883 1 10 . 1 1 121 121 VAL CB C 121 31.463 31.463 31.857 -0.394 19036 6884 1 10 . 1 1 121 121 VAL H H 121 8.079 8.079 7.983 0.096 19036 6885 1 10 . 1 1 122 122 ASP N N 122 119.590 119.590 120.304 -0.714 19036 6886 1 10 . 1 1 122 122 ASP HA H 122 4.349 4.349 4.325 0.024 19036 6887 1 10 . 1 1 122 122 ASP CA C 122 57.718 57.718 57.676 0.042 19036 6888 1 10 . 1 1 122 122 ASP CB C 122 40.593 40.593 40.708 -0.115 19036 6889 1 10 . 1 1 122 122 ASP H H 122 8.124 8.124 8.609 -0.485 19036 6890 1 10 . 1 1 123 123 GLU N N 123 119.760 119.760 119.399 0.361 19036 6891 1 10 . 1 1 123 123 GLU HA H 123 4.051 4.051 3.984 0.067 19036 6892 1 10 . 1 1 123 123 GLU CA C 123 59.144 59.144 58.995 0.150 19036 6893 1 10 . 1 1 123 123 GLU CB C 123 29.161 29.161 29.568 -0.407 19036 6894 1 10 . 1 1 123 123 GLU H H 123 8.034 8.034 8.285 -0.251 19036 6895 1 10 . 1 1 124 124 MET N N 124 119.580 119.580 120.689 -1.109 19036 6896 1 10 . 1 1 124 124 MET HA H 124 4.024 4.024 4.130 -0.106 19036 6897 1 10 . 1 1 124 124 MET CA C 124 59.353 59.353 59.077 0.276 19036 6898 1 10 . 1 1 124 124 MET CB C 124 33.497 33.497 32.777 0.720 19036 6899 1 10 . 1 1 124 124 MET H H 124 7.871 7.871 7.486 0.385 19036 6900 1 10 . 1 1 125 125 ILE N N 125 118.210 118.210 119.260 -1.050 19036 6901 1 10 . 1 1 125 125 ILE HA H 125 3.524 3.524 3.662 -0.138 19036 6902 1 10 . 1 1 125 125 ILE CA C 125 63.855 63.855 65.011 -1.156 19036 6903 1 10 . 1 1 125 125 ILE CB C 125 36.457 36.457 37.216 -0.759 19036 6904 1 10 . 1 1 125 125 ILE H H 125 7.953 7.953 7.633 0.320 19036 6905 1 10 . 1 1 126 126 ARG N N 126 118.420 118.420 119.673 -1.253 19036 6906 1 10 . 1 1 126 126 ARG HA H 126 4.038 4.038 3.991 0.047 19036 6907 1 10 . 1 1 126 126 ARG CA C 126 59.809 59.809 59.616 0.193 19036 6908 1 10 . 1 1 126 126 ARG CB C 126 30.311 30.311 30.172 0.139 19036 6909 1 10 . 1 1 126 126 ARG H H 126 8.228 8.228 7.736 0.492 19036 6910 1 10 . 1 1 127 127 GLU N N 127 115.830 115.830 118.913 -3.083 19036 6911 1 10 . 1 1 127 127 GLU HA H 127 4.026 4.026 4.131 -0.105 19036 6912 1 10 . 1 1 127 127 GLU CA C 127 58.489 58.489 58.637 -0.148 19036 6913 1 10 . 1 1 127 127 GLU CB C 127 29.435 29.435 29.783 -0.348 19036 6914 1 10 . 1 1 127 127 GLU H H 127 7.950 7.950 8.054 -0.104 19036 6915 1 10 . 1 1 128 128 ALA N N 128 119.010 119.010 118.523 0.487 19036 6916 1 10 . 1 1 128 128 ALA HA H 128 4.444 4.444 4.321 0.123 19036 6917 1 10 . 1 1 128 128 ALA CA C 128 52.125 52.125 51.896 0.229 19036 6918 1 10 . 1 1 128 128 ALA CB C 128 21.322 21.322 19.391 1.931 19036 6919 1 10 . 1 1 128 128 ALA H H 128 7.386 7.386 7.615 -0.229 19036 6920 1 10 . 1 1 129 129 ASP N N 129 117.790 117.790 119.893 -2.103 19036 6921 1 10 . 1 1 129 129 ASP HA H 129 4.516 4.516 4.768 -0.252 19036 6922 1 10 . 1 1 129 129 ASP CA C 129 54.190 54.190 53.765 0.425 19036 6923 1 10 . 1 1 129 129 ASP CB C 129 40.587 40.587 39.512 1.075 19036 6924 1 10 . 1 1 129 129 ASP H H 129 7.913 7.913 7.515 0.398 19036 6925 1 10 . 1 1 130 130 ILE N N 130 127.770 127.770 123.186 4.584 19036 6926 1 10 . 1 1 130 130 ILE HA H 130 3.938 3.938 3.989 -0.051 19036 6927 1 10 . 1 1 130 130 ILE CA C 130 63.431 63.431 62.998 0.433 19036 6928 1 10 . 1 1 130 130 ILE CB C 130 38.748 38.748 38.469 0.279 19036 6929 1 10 . 1 1 130 130 ILE H H 130 8.332 8.332 8.468 -0.136 19036 6930 1 10 . 1 1 131 131 ASP N N 131 116.680 116.680 119.066 -2.386 19036 6931 1 10 . 1 1 131 131 ASP HA H 131 4.493 4.493 4.511 -0.018 19036 6932 1 10 . 1 1 131 131 ASP CA C 131 53.734 53.734 54.588 -0.854 19036 6933 1 10 . 1 1 131 131 ASP CB C 131 40.062 40.062 41.275 -1.212 19036 6934 1 10 . 1 1 131 131 ASP H H 131 8.371 8.371 8.793 -0.422 19036 6935 1 10 . 1 1 132 132 GLY N N 132 108.680 108.680 108.930 -0.250 19036 6936 1 10 . 1 1 132 132 GLY CA C 132 47.587 47.587 45.376 2.211 19036 6937 1 10 . 1 1 132 132 GLY H H 132 7.636 7.636 8.115 -0.479 19036 6938 1 10 . 1 1 133 133 ASP N N 133 120.930 120.930 121.002 -0.072 19036 6939 1 10 . 1 1 133 133 ASP HA H 133 4.530 4.530 4.532 -0.002 19036 6940 1 10 . 1 1 133 133 ASP CA C 133 53.845 53.845 53.451 0.394 19036 6941 1 10 . 1 1 133 133 ASP CB C 133 40.322 40.322 40.915 -0.593 19036 6942 1 10 . 1 1 133 133 ASP H H 133 8.378 8.378 8.618 -0.240 19036 6943 1 10 . 1 1 134 134 GLY N N 134 112.990 112.990 108.780 4.210 19036 6944 1 10 . 1 1 134 134 GLY CA C 134 45.855 45.855 45.483 0.372 19036 6945 1 10 . 1 1 134 134 GLY H H 134 10.401 10.401 8.037 2.364 19036 6946 1 10 . 1 1 135 135 GLN N N 135 115.490 115.490 117.382 -1.892 19036 6947 1 10 . 1 1 135 135 GLN HA H 135 4.887 4.887 4.696 0.191 19036 6948 1 10 . 1 1 135 135 GLN CA C 135 53.289 53.289 54.132 -0.843 19036 6949 1 10 . 1 1 135 135 GLN CB C 135 32.515 32.515 32.644 -0.129 19036 6950 1 10 . 1 1 135 135 GLN H H 135 8.007 8.007 8.687 -0.680 19036 6951 1 10 . 1 1 136 136 VAL N N 136 125.480 125.480 121.950 3.530 19036 6952 1 10 . 1 1 136 136 VAL HA H 136 5.213 5.213 4.697 0.516 19036 6953 1 10 . 1 1 136 136 VAL CA C 136 61.784 61.784 60.361 1.423 19036 6954 1 10 . 1 1 136 136 VAL CB C 136 33.839 33.839 31.398 2.441 19036 6955 1 10 . 1 1 136 136 VAL H H 136 9.167 9.167 8.148 1.019 19036 6956 1 10 . 1 1 137 137 ASN N N 137 129.140 129.140 125.595 3.545 19036 6957 1 10 . 1 1 137 137 ASN HA H 137 5.288 5.288 5.254 0.034 19036 6958 1 10 . 1 1 137 137 ASN CA C 137 51.176 51.176 51.006 0.170 19036 6959 1 10 . 1 1 137 137 ASN CB C 137 38.446 38.446 40.257 -1.810 19036 6960 1 10 . 1 1 137 137 ASN H H 137 9.576 9.576 7.953 1.623 19036 6961 1 10 . 1 1 138 138 TYR N N 138 118.600 118.600 120.952 -2.352 19036 6962 1 10 . 1 1 138 138 TYR HA H 138 3.456 3.456 4.204 -0.748 19036 6963 1 10 . 1 1 138 138 TYR CA C 138 62.842 62.842 63.700 -0.858 19036 6964 1 10 . 1 1 138 138 TYR CB C 138 37.805 37.805 37.962 -0.156 19036 6965 1 10 . 1 1 138 138 TYR H H 138 8.464 8.464 8.890 -0.426 19036 6966 1 10 . 1 1 139 139 GLU N N 139 118.470 118.470 118.937 -0.467 19036 6967 1 10 . 1 1 139 139 GLU HA H 139 3.686 3.686 3.939 -0.253 19036 6968 1 10 . 1 1 139 139 GLU CA C 139 60.456 60.456 60.561 -0.105 19036 6969 1 10 . 1 1 139 139 GLU CB C 139 29.008 29.008 29.050 -0.042 19036 6970 1 10 . 1 1 139 139 GLU H H 139 8.152 8.152 9.036 -0.884 19036 6971 1 10 . 1 1 140 140 GLU N N 140 119.970 119.970 120.042 -0.072 19036 6972 1 10 . 1 1 140 140 GLU HA H 140 4.025 4.025 4.092 -0.067 19036 6973 1 10 . 1 1 140 140 GLU CA C 140 58.655 58.655 58.875 -0.220 19036 6974 1 10 . 1 1 140 140 GLU CB C 140 29.868 29.868 29.552 0.316 19036 6975 1 10 . 1 1 140 140 GLU H H 140 8.815 8.815 8.147 0.668 19036 6976 1 10 . 1 1 141 141 PHE N N 141 124.860 124.860 121.287 3.573 19036 6977 1 10 . 1 1 141 141 PHE HA H 141 4.000 4.000 4.134 -0.134 19036 6978 1 10 . 1 1 141 141 PHE CA C 141 61.733 61.733 61.421 0.312 19036 6979 1 10 . 1 1 141 141 PHE CB C 141 40.089 40.089 39.283 0.806 19036 6980 1 10 . 1 1 141 141 PHE H H 141 8.927 8.927 8.839 0.088 19036 6981 1 10 . 1 1 142 142 VAL N N 142 119.400 119.400 118.260 1.140 19036 6982 1 10 . 1 1 142 142 VAL HA H 142 3.152 3.152 3.453 -0.301 19036 6983 1 10 . 1 1 142 142 VAL CA C 142 67.139 67.139 66.824 0.315 19036 6984 1 10 . 1 1 142 142 VAL CB C 142 31.622 31.622 31.746 -0.124 19036 6985 1 10 . 1 1 142 142 VAL H H 142 8.635 8.635 8.394 0.241 19036 6986 1 10 . 1 1 143 143 GLN N N 143 118.420 118.420 118.002 0.418 19036 6987 1 10 . 1 1 143 143 GLN HA H 143 3.902 3.902 4.142 -0.240 19036 6988 1 10 . 1 1 143 143 GLN CA C 143 58.894 58.894 57.522 1.372 19036 6989 1 10 . 1 1 143 143 GLN CB C 143 28.186 28.186 28.766 -0.580 19036 6990 1 10 . 1 1 143 143 GLN H H 143 7.516 7.516 7.583 -0.067 19036 6991 1 10 . 1 1 144 144 MET N N 144 119.410 119.410 120.503 -1.093 19036 6992 1 10 . 1 1 144 144 MET HA H 144 4.113 4.113 4.126 -0.013 19036 6993 1 10 . 1 1 144 144 MET CA C 144 58.360 58.360 58.334 0.026 19036 6994 1 10 . 1 1 144 144 MET CB C 144 33.188 33.188 32.400 0.788 19036 6995 1 10 . 1 1 144 144 MET H H 144 7.867 7.867 8.199 -0.332 19036 6996 1 10 . 1 1 145 145 MET N N 145 114.770 114.770 111.728 3.042 19036 6997 1 10 . 1 1 145 145 MET HA H 145 4.263 4.263 4.472 -0.209 19036 6998 1 10 . 1 1 145 145 MET CA C 145 55.607 55.607 55.725 -0.118 19036 6999 1 10 . 1 1 145 145 MET CB C 145 32.224 32.224 31.668 0.556 19036 7000 1 10 . 1 1 145 145 MET H H 145 7.796 7.796 7.521 0.275 19036 7001 1 10 . 1 1 146 146 THR N N 146 111.500 111.500 118.092 -6.592 19036 7002 1 10 . 1 1 146 146 THR HA H 146 4.325 4.325 4.212 0.113 19036 7003 1 10 . 1 1 146 146 THR CA C 146 62.420 62.420 63.080 -0.660 19036 7004 1 10 . 1 1 146 146 THR CB C 146 70.327 70.327 67.285 3.042 19036 7005 1 10 . 1 1 146 146 THR H H 146 7.591 7.591 7.572 0.019 19036 7006 1 10 . 1 1 147 147 ALA N N 147 127.110 127.110 123.655 3.455 19036 7007 1 10 . 1 1 147 147 ALA HA H 147 4.319 4.319 4.606 -0.287 19036 7008 1 10 . 1 1 147 147 ALA CA C 147 52.991 52.991 50.948 2.043 19036 7009 1 10 . 1 1 147 147 ALA CB C 147 19.162 19.162 20.857 -1.695 19036 7010 1 10 . 1 1 147 147 ALA H H 147 7.827 7.827 7.946 -0.119 19036 7011 1 11 . 1 1 2 2 ASP HA H 2 4.654 4.654 4.678 -0.024 19036 7012 1 11 . 1 1 2 2 ASP CA C 2 54.799 54.799 54.094 0.705 19036 7013 1 11 . 1 1 2 2 ASP CB C 2 41.496 41.496 40.971 0.525 19036 7014 1 11 . 1 1 3 3 GLN N N 3 119.900 119.900 118.710 1.190 19036 7015 1 11 . 1 1 3 3 GLN HA H 3 4.399 4.399 4.111 0.288 19036 7016 1 11 . 1 1 3 3 GLN CA C 3 55.646 55.646 57.011 -1.365 19036 7017 1 11 . 1 1 3 3 GLN CB C 3 29.996 29.996 28.994 1.002 19036 7018 1 11 . 1 1 3 3 GLN H H 3 8.385 8.385 7.951 0.434 19036 7019 1 11 . 1 1 4 4 LEU N N 4 123.270 123.270 120.181 3.089 19036 7020 1 11 . 1 1 4 4 LEU HA H 4 4.681 4.681 4.290 0.391 19036 7021 1 11 . 1 1 4 4 LEU CA C 4 54.516 54.516 55.247 -0.731 19036 7022 1 11 . 1 1 4 4 LEU CB C 4 43.666 43.666 42.866 0.800 19036 7023 1 11 . 1 1 4 4 LEU H H 4 8.351 8.351 7.871 0.480 19036 7024 1 11 . 1 1 5 5 THR N N 5 113.150 113.150 111.848 1.302 19036 7025 1 11 . 1 1 5 5 THR HA H 5 4.479 4.479 4.595 -0.116 19036 7026 1 11 . 1 1 5 5 THR CA C 5 60.553 60.553 60.000 0.553 19036 7027 1 11 . 1 1 5 5 THR CB C 5 71.232 71.232 71.376 -0.144 19036 7028 1 11 . 1 1 5 5 THR H H 5 8.764 8.764 7.858 0.906 19036 7029 1 11 . 1 1 6 6 GLU N N 6 120.490 120.490 123.026 -2.536 19036 7030 1 11 . 1 1 6 6 GLU HA H 6 3.994 3.994 3.930 0.064 19036 7031 1 11 . 1 1 6 6 GLU CA C 6 60.091 60.091 59.786 0.305 19036 7032 1 11 . 1 1 6 6 GLU CB C 6 29.307 29.307 29.593 -0.287 19036 7033 1 11 . 1 1 6 6 GLU H H 6 9.066 9.066 9.078 -0.012 19036 7034 1 11 . 1 1 7 7 GLU N N 7 119.640 119.640 118.514 1.126 19036 7035 1 11 . 1 1 7 7 GLU HA H 7 4.081 4.081 4.011 0.070 19036 7036 1 11 . 1 1 7 7 GLU CA C 7 60.055 60.055 59.292 0.763 19036 7037 1 11 . 1 1 7 7 GLU CB C 7 29.194 29.194 28.894 0.300 19036 7038 1 11 . 1 1 7 7 GLU H H 7 8.769 8.769 8.685 0.084 19036 7039 1 11 . 1 1 8 8 GLN N N 8 120.420 120.420 118.491 1.929 19036 7040 1 11 . 1 1 8 8 GLN HA H 8 3.857 3.857 3.814 0.043 19036 7041 1 11 . 1 1 8 8 GLN CA C 8 58.691 58.691 58.304 0.387 19036 7042 1 11 . 1 1 8 8 GLN CB C 8 29.295 29.295 28.373 0.922 19036 7043 1 11 . 1 1 8 8 GLN H H 8 7.779 7.779 7.495 0.284 19036 7044 1 11 . 1 1 9 9 ILE N N 9 119.530 119.530 119.703 -0.173 19036 7045 1 11 . 1 1 9 9 ILE HA H 9 3.699 3.699 3.691 0.008 19036 7046 1 11 . 1 1 9 9 ILE CA C 9 66.284 66.284 64.708 1.576 19036 7047 1 11 . 1 1 9 9 ILE CB C 9 37.882 37.882 37.691 0.191 19036 7048 1 11 . 1 1 9 9 ILE H H 9 8.391 8.391 7.421 0.970 19036 7049 1 11 . 1 1 10 10 ALA N N 10 121.270 121.270 121.720 -0.450 19036 7050 1 11 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.951 0.189 19036 7051 1 11 . 1 1 10 10 ALA CA C 10 55.569 55.569 55.377 0.192 19036 7052 1 11 . 1 1 10 10 ALA CB C 10 17.977 17.977 17.831 0.146 19036 7053 1 11 . 1 1 10 10 ALA H H 10 8.040 8.040 7.621 0.419 19036 7054 1 11 . 1 1 11 11 GLU N N 11 119.830 119.830 119.050 0.780 19036 7055 1 11 . 1 1 11 11 GLU HA H 11 4.159 4.159 4.053 0.106 19036 7056 1 11 . 1 1 11 11 GLU CA C 11 59.438 59.438 59.094 0.344 19036 7057 1 11 . 1 1 11 11 GLU CB C 11 29.098 29.098 29.285 -0.187 19036 7058 1 11 . 1 1 11 11 GLU H H 11 7.841 7.841 7.562 0.279 19036 7059 1 11 . 1 1 12 12 PHE N N 12 120.250 120.250 117.332 2.918 19036 7060 1 11 . 1 1 12 12 PHE HA H 12 5.033 5.033 4.786 0.247 19036 7061 1 11 . 1 1 12 12 PHE CA C 12 59.113 59.113 57.220 1.893 19036 7062 1 11 . 1 1 12 12 PHE CB C 12 37.727 37.727 38.377 -0.650 19036 7063 1 11 . 1 1 12 12 PHE H H 12 8.641 8.641 7.359 1.282 19036 7064 1 11 . 1 1 13 13 LYS N N 13 123.680 123.680 121.871 1.809 19036 7065 1 11 . 1 1 13 13 LYS HA H 13 4.038 4.038 4.059 -0.021 19036 7066 1 11 . 1 1 13 13 LYS CA C 13 60.228 60.228 60.426 -0.198 19036 7067 1 11 . 1 1 13 13 LYS CB C 13 32.020 32.020 32.198 -0.178 19036 7068 1 11 . 1 1 13 13 LYS H H 13 9.273 9.273 8.285 0.988 19036 7069 1 11 . 1 1 14 14 GLU N N 14 120.480 120.480 119.198 1.282 19036 7070 1 11 . 1 1 14 14 GLU HA H 14 4.150 4.150 4.096 0.054 19036 7071 1 11 . 1 1 14 14 GLU CA C 14 59.283 59.283 59.137 0.146 19036 7072 1 11 . 1 1 14 14 GLU CB C 14 29.163 29.163 29.324 -0.161 19036 7073 1 11 . 1 1 14 14 GLU H H 14 7.873 7.873 7.699 0.174 19036 7074 1 11 . 1 1 15 15 ALA N N 15 122.590 122.590 121.729 0.861 19036 7075 1 11 . 1 1 15 15 ALA HA H 15 4.285 4.285 4.162 0.123 19036 7076 1 11 . 1 1 15 15 ALA CA C 15 55.370 55.370 54.967 0.403 19036 7077 1 11 . 1 1 15 15 ALA CB C 15 18.190 18.190 18.626 -0.436 19036 7078 1 11 . 1 1 15 15 ALA H H 15 8.045 8.045 7.616 0.429 19036 7079 1 11 . 1 1 16 16 PHE N N 16 119.110 119.110 119.375 -0.265 19036 7080 1 11 . 1 1 16 16 PHE HA H 16 3.314 3.314 3.954 -0.640 19036 7081 1 11 . 1 1 16 16 PHE CA C 16 62.091 62.091 60.542 1.549 19036 7082 1 11 . 1 1 16 16 PHE CB C 16 39.813 39.813 39.365 0.448 19036 7083 1 11 . 1 1 16 16 PHE H H 16 8.804 8.804 8.343 0.461 19036 7084 1 11 . 1 1 17 17 SER N N 17 113.200 113.200 114.019 -0.819 19036 7085 1 11 . 1 1 17 17 SER HA H 17 4.139 4.139 4.006 0.133 19036 7086 1 11 . 1 1 17 17 SER CA C 17 61.542 61.542 61.158 0.383 19036 7087 1 11 . 1 1 17 17 SER CB C 17 63.424 63.424 63.304 0.120 19036 7088 1 11 . 1 1 17 17 SER H H 17 8.083 8.083 8.021 0.062 19036 7089 1 11 . 1 1 18 18 LEU N N 18 120.840 120.840 121.331 -0.491 19036 7090 1 11 . 1 1 18 18 LEU HA H 18 3.981 3.981 4.011 -0.030 19036 7091 1 11 . 1 1 18 18 LEU CA C 18 57.258 57.258 57.255 0.003 19036 7092 1 11 . 1 1 18 18 LEU CB C 18 41.565 41.565 42.072 -0.506 19036 7093 1 11 . 1 1 18 18 LEU H H 18 7.436 7.436 7.355 0.081 19036 7094 1 11 . 1 1 19 19 PHE N N 19 114.020 114.020 114.225 -0.205 19036 7095 1 11 . 1 1 19 19 PHE HA H 19 4.237 4.237 4.164 0.073 19036 7096 1 11 . 1 1 19 19 PHE CA C 19 59.258 59.258 59.895 -0.637 19036 7097 1 11 . 1 1 19 19 PHE CB C 19 41.732 41.732 39.121 2.611 19036 7098 1 11 . 1 1 19 19 PHE H H 19 7.180 7.180 7.407 -0.227 19036 7099 1 11 . 1 1 20 20 ASP N N 20 117.440 117.440 118.593 -1.153 19036 7100 1 11 . 1 1 20 20 ASP HA H 20 4.579 4.579 4.676 -0.097 19036 7101 1 11 . 1 1 20 20 ASP CA C 20 52.295 52.295 52.557 -0.262 19036 7102 1 11 . 1 1 20 20 ASP CB C 20 39.167 39.167 39.238 -0.071 19036 7103 1 11 . 1 1 20 20 ASP H H 20 7.844 7.844 7.483 0.361 19036 7104 1 11 . 1 1 21 21 LYS N N 21 124.410 124.410 124.174 0.236 19036 7105 1 11 . 1 1 21 21 LYS HA H 21 3.990 3.990 3.974 0.016 19036 7106 1 11 . 1 1 21 21 LYS CA C 21 58.379 58.379 58.566 -0.187 19036 7107 1 11 . 1 1 21 21 LYS CB C 21 32.623 32.623 32.431 0.192 19036 7108 1 11 . 1 1 21 21 LYS H H 21 7.728 7.728 7.878 -0.150 19036 7109 1 11 . 1 1 22 22 ASP N N 22 114.060 114.060 117.723 -3.663 19036 7110 1 11 . 1 1 22 22 ASP HA H 22 4.625 4.625 4.471 0.154 19036 7111 1 11 . 1 1 22 22 ASP CA C 22 52.921 52.921 55.862 -2.941 19036 7112 1 11 . 1 1 22 22 ASP CB C 22 39.728 39.728 40.924 -1.196 19036 7113 1 11 . 1 1 22 22 ASP H H 22 8.095 8.095 8.935 -0.840 19036 7114 1 11 . 1 1 23 23 GLY N N 23 109.390 109.390 107.606 1.784 19036 7115 1 11 . 1 1 23 23 GLY CA C 23 47.250 47.250 45.799 1.451 19036 7116 1 11 . 1 1 23 23 GLY H H 23 7.717 7.717 8.077 -0.360 19036 7117 1 11 . 1 1 24 24 ASP N N 24 120.860 120.860 121.203 -0.343 19036 7118 1 11 . 1 1 24 24 ASP HA H 24 4.564 4.564 4.603 -0.039 19036 7119 1 11 . 1 1 24 24 ASP CA C 24 53.918 53.918 53.044 0.874 19036 7120 1 11 . 1 1 24 24 ASP CB C 24 40.569 40.569 40.343 0.226 19036 7121 1 11 . 1 1 24 24 ASP H H 24 8.472 8.472 8.002 0.470 19036 7122 1 11 . 1 1 25 25 GLY N N 25 113.090 113.090 109.239 3.851 19036 7123 1 11 . 1 1 25 25 GLY CA C 25 45.542 45.542 45.572 -0.030 19036 7124 1 11 . 1 1 25 25 GLY H H 25 10.619 10.619 8.285 2.334 19036 7125 1 11 . 1 1 26 26 THR N N 26 112.600 112.600 110.524 2.076 19036 7126 1 11 . 1 1 26 26 THR HA H 26 5.391 5.391 5.100 0.291 19036 7127 1 11 . 1 1 26 26 THR CA C 26 59.883 59.883 59.860 0.023 19036 7128 1 11 . 1 1 26 26 THR CB C 26 72.786 72.786 72.356 0.430 19036 7129 1 11 . 1 1 26 26 THR H H 26 8.211 8.211 8.653 -0.442 19036 7130 1 11 . 1 1 27 27 ILE N N 27 126.830 126.830 123.840 2.990 19036 7131 1 11 . 1 1 27 27 ILE HA H 27 4.895 4.895 4.445 0.450 19036 7132 1 11 . 1 1 27 27 ILE CA C 27 60.856 60.856 60.569 0.287 19036 7133 1 11 . 1 1 27 27 ILE CB C 27 39.926 39.926 39.454 0.472 19036 7134 1 11 . 1 1 27 27 ILE H H 27 9.876 9.876 8.439 1.437 19036 7135 1 11 . 1 1 28 28 THR N N 28 116.500 116.500 118.160 -1.660 19036 7136 1 11 . 1 1 28 28 THR HA H 28 4.811 4.811 4.939 -0.128 19036 7137 1 11 . 1 1 28 28 THR CA C 28 59.216 59.216 59.658 -0.442 19036 7138 1 11 . 1 1 28 28 THR CB C 28 72.541 72.541 71.283 1.258 19036 7139 1 11 . 1 1 28 28 THR H H 28 8.439 8.439 9.476 -1.037 19036 7140 1 11 . 1 1 29 29 THR N N 29 112.850 112.850 115.781 -2.931 19036 7141 1 11 . 1 1 29 29 THR HA H 29 3.807 3.807 3.915 -0.108 19036 7142 1 11 . 1 1 29 29 THR CA C 29 66.516 66.516 66.125 0.391 19036 7143 1 11 . 1 1 29 29 THR CB C 29 68.018 68.018 68.208 -0.190 19036 7144 1 11 . 1 1 29 29 THR H H 29 9.238 9.238 9.001 0.237 19036 7145 1 11 . 1 1 30 30 LYS N N 30 121.130 121.130 123.065 -1.935 19036 7146 1 11 . 1 1 30 30 LYS HA H 30 4.170 4.170 4.008 0.162 19036 7147 1 11 . 1 1 30 30 LYS CA C 30 59.377 59.377 59.686 -0.309 19036 7148 1 11 . 1 1 30 30 LYS CB C 30 32.823 32.823 32.040 0.783 19036 7149 1 11 . 1 1 30 30 LYS H H 30 7.688 7.688 8.306 -0.618 19036 7150 1 11 . 1 1 31 31 GLU N N 31 121.920 121.920 119.697 2.223 19036 7151 1 11 . 1 1 31 31 GLU HA H 31 4.062 4.062 4.031 0.031 19036 7152 1 11 . 1 1 31 31 GLU CA C 31 59.579 59.579 59.387 0.192 19036 7153 1 11 . 1 1 31 31 GLU CB C 31 29.837 29.837 29.668 0.169 19036 7154 1 11 . 1 1 31 31 GLU H H 31 7.783 7.783 7.526 0.257 19036 7155 1 11 . 1 1 32 32 LEU N N 32 120.570 120.570 120.535 0.035 19036 7156 1 11 . 1 1 32 32 LEU HA H 32 4.145 4.145 4.090 0.055 19036 7157 1 11 . 1 1 32 32 LEU CA C 32 58.321 58.321 57.945 0.376 19036 7158 1 11 . 1 1 32 32 LEU CB C 32 42.697 42.697 42.126 0.571 19036 7159 1 11 . 1 1 32 32 LEU H H 32 8.705 8.705 7.997 0.708 19036 7160 1 11 . 1 1 33 33 GLY N N 33 105.720 105.720 105.839 -0.119 19036 7161 1 11 . 1 1 33 33 GLY H H 33 8.753 8.753 8.208 0.545 19036 7162 1 11 . 1 1 34 34 THR N N 34 118.370 118.370 119.320 -0.950 19036 7163 1 11 . 1 1 34 34 THR HA H 34 3.961 3.961 3.912 0.049 19036 7164 1 11 . 1 1 34 34 THR CA C 34 67.097 67.097 67.033 0.064 19036 7165 1 11 . 1 1 34 34 THR CB C 34 68.869 68.869 68.805 0.064 19036 7166 1 11 . 1 1 34 34 THR H H 34 8.071 8.071 7.822 0.249 19036 7167 1 11 . 1 1 35 35 VAL N N 35 122.170 122.170 122.100 0.070 19036 7168 1 11 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.831 -0.222 19036 7169 1 11 . 1 1 35 35 VAL CA C 35 66.538 66.538 65.007 1.531 19036 7170 1 11 . 1 1 35 35 VAL CB C 35 31.589 31.589 32.078 -0.489 19036 7171 1 11 . 1 1 35 35 VAL H H 35 7.738 7.738 7.560 0.178 19036 7172 1 11 . 1 1 36 36 MET N N 36 118.620 118.620 118.741 -0.121 19036 7173 1 11 . 1 1 36 36 MET HA H 36 4.043 4.043 4.120 -0.077 19036 7174 1 11 . 1 1 36 36 MET CA C 36 59.594 59.594 58.667 0.927 19036 7175 1 11 . 1 1 36 36 MET CB C 36 31.850 31.850 32.500 -0.650 19036 7176 1 11 . 1 1 36 36 MET H H 36 8.559 8.559 8.645 -0.086 19036 7177 1 11 . 1 1 37 37 ARG N N 37 118.920 118.920 119.387 -0.467 19036 7178 1 11 . 1 1 37 37 ARG HA H 37 4.798 4.798 4.156 0.642 19036 7179 1 11 . 1 1 37 37 ARG CA C 37 59.518 59.518 59.690 -0.172 19036 7180 1 11 . 1 1 37 37 ARG CB C 37 30.189 30.189 29.941 0.248 19036 7181 1 11 . 1 1 37 37 ARG H H 37 8.638 8.638 8.751 -0.113 19036 7182 1 11 . 1 1 38 38 SER N N 38 119.000 119.000 115.071 3.929 19036 7183 1 11 . 1 1 38 38 SER HA H 38 4.420 4.420 4.167 0.253 19036 7184 1 11 . 1 1 38 38 SER CA C 38 61.682 61.682 60.483 1.199 19036 7185 1 11 . 1 1 38 38 SER CB C 38 62.890 62.890 62.934 -0.044 19036 7186 1 11 . 1 1 38 38 SER H H 38 7.994 7.994 7.611 0.383 19036 7187 1 11 . 1 1 39 39 LEU N N 39 120.790 120.790 120.877 -0.087 19036 7188 1 11 . 1 1 39 39 LEU HA H 39 4.498 4.498 4.229 0.269 19036 7189 1 11 . 1 1 39 39 LEU CA C 39 54.405 54.405 54.925 -0.520 19036 7190 1 11 . 1 1 39 39 LEU CB C 39 41.979 41.979 41.783 0.196 19036 7191 1 11 . 1 1 39 39 LEU H H 39 7.426 7.426 7.420 0.006 19036 7192 1 11 . 1 1 40 40 GLY N N 40 106.830 106.830 106.574 0.256 19036 7193 1 11 . 1 1 40 40 GLY CA C 40 45.713 45.713 45.152 0.561 19036 7194 1 11 . 1 1 40 40 GLY H H 40 7.896 7.896 7.383 0.513 19036 7195 1 11 . 1 1 41 41 GLN N N 41 118.330 118.330 118.370 -0.040 19036 7196 1 11 . 1 1 41 41 GLN HA H 41 4.503 4.503 4.589 -0.086 19036 7197 1 11 . 1 1 41 41 GLN CA C 41 54.585 54.585 54.076 0.509 19036 7198 1 11 . 1 1 41 41 GLN CB C 41 30.591 30.591 31.808 -1.217 19036 7199 1 11 . 1 1 41 41 GLN H H 41 7.865 7.865 7.803 0.062 19036 7200 1 11 . 1 1 42 42 ASN N N 42 116.490 116.490 118.063 -1.573 19036 7201 1 11 . 1 1 42 42 ASN HA H 42 5.214 5.214 5.017 0.197 19036 7202 1 11 . 1 1 42 42 ASN CA C 42 51.351 51.351 51.398 -0.047 19036 7203 1 11 . 1 1 42 42 ASN CB C 42 39.402 39.402 38.263 1.139 19036 7204 1 11 . 1 1 42 42 ASN H H 42 8.771 8.771 8.463 0.308 19036 7205 1 11 . 1 1 43 43 PRO HA H 43 4.779 4.779 4.840 -0.061 19036 7206 1 11 . 1 1 43 43 PRO CA C 43 62.475 62.475 62.825 -0.350 19036 7207 1 11 . 1 1 43 43 PRO CB C 43 32.084 32.084 33.372 -1.288 19036 7208 1 11 . 1 1 44 44 THR N N 44 113.050 113.050 112.819 0.231 19036 7209 1 11 . 1 1 44 44 THR HA H 44 4.487 4.487 4.596 -0.109 19036 7210 1 11 . 1 1 44 44 THR CA C 44 60.565 60.565 60.134 0.431 19036 7211 1 11 . 1 1 44 44 THR CB C 44 71.260 71.260 71.674 -0.414 19036 7212 1 11 . 1 1 44 44 THR H H 44 8.808 8.808 8.203 0.605 19036 7213 1 11 . 1 1 45 45 GLU N N 45 120.700 120.700 121.562 -0.862 19036 7214 1 11 . 1 1 45 45 GLU HA H 45 4.001 4.001 4.101 -0.100 19036 7215 1 11 . 1 1 45 45 GLU CA C 45 60.082 60.082 59.949 0.133 19036 7216 1 11 . 1 1 45 45 GLU CB C 45 29.129 29.129 29.166 -0.037 19036 7217 1 11 . 1 1 45 45 GLU H H 45 8.842 8.842 9.069 -0.227 19036 7218 1 11 . 1 1 46 46 ALA N N 46 120.880 120.880 121.454 -0.574 19036 7219 1 11 . 1 1 46 46 ALA HA H 46 4.125 4.125 4.088 0.037 19036 7220 1 11 . 1 1 46 46 ALA CA C 46 55.125 55.125 55.296 -0.171 19036 7221 1 11 . 1 1 46 46 ALA CB C 46 18.342 18.342 18.172 0.170 19036 7222 1 11 . 1 1 46 46 ALA H H 46 8.305 8.305 8.412 -0.107 19036 7223 1 11 . 1 1 47 47 GLU N N 47 118.780 118.780 119.945 -1.165 19036 7224 1 11 . 1 1 47 47 GLU HA H 47 4.040 4.040 4.050 -0.010 19036 7225 1 11 . 1 1 47 47 GLU CA C 47 59.144 59.144 59.188 -0.044 19036 7226 1 11 . 1 1 47 47 GLU CB C 47 29.886 29.886 29.688 0.198 19036 7227 1 11 . 1 1 47 47 GLU H H 47 7.736 7.736 7.619 0.117 19036 7228 1 11 . 1 1 48 48 LEU N N 48 120.120 120.120 119.789 0.331 19036 7229 1 11 . 1 1 48 48 LEU HA H 48 4.079 4.079 3.934 0.145 19036 7230 1 11 . 1 1 48 48 LEU CA C 48 57.955 57.955 58.108 -0.153 19036 7231 1 11 . 1 1 48 48 LEU CB C 48 42.516 42.516 41.853 0.663 19036 7232 1 11 . 1 1 48 48 LEU H H 48 8.169 8.169 8.175 -0.006 19036 7233 1 11 . 1 1 49 49 GLN N N 49 118.390 118.390 119.388 -0.998 19036 7234 1 11 . 1 1 49 49 GLN HA H 49 3.849 3.849 3.968 -0.119 19036 7235 1 11 . 1 1 49 49 GLN CA C 49 58.676 58.676 59.111 -0.435 19036 7236 1 11 . 1 1 49 49 GLN CB C 49 28.341 28.341 28.233 0.108 19036 7237 1 11 . 1 1 49 49 GLN H H 49 8.235 8.235 8.613 -0.378 19036 7238 1 11 . 1 1 50 50 ASP N N 50 120.090 120.090 120.246 -0.156 19036 7239 1 11 . 1 1 50 50 ASP HA H 50 4.439 4.439 4.393 0.046 19036 7240 1 11 . 1 1 50 50 ASP CA C 50 57.643 57.643 57.040 0.603 19036 7241 1 11 . 1 1 50 50 ASP CB C 50 40.366 40.366 40.468 -0.102 19036 7242 1 11 . 1 1 50 50 ASP H H 50 8.164 8.164 8.208 -0.044 19036 7243 1 11 . 1 1 51 51 MET N N 51 119.330 119.330 118.705 0.625 19036 7244 1 11 . 1 1 51 51 MET HA H 51 4.021 4.021 4.142 -0.121 19036 7245 1 11 . 1 1 51 51 MET CA C 51 59.332 59.332 59.557 -0.225 19036 7246 1 11 . 1 1 51 51 MET CB C 51 33.713 33.713 32.845 0.868 19036 7247 1 11 . 1 1 51 51 MET H H 51 7.909 7.909 8.122 -0.213 19036 7248 1 11 . 1 1 52 52 ILE N N 52 118.080 118.080 116.801 1.279 19036 7249 1 11 . 1 1 52 52 ILE HA H 52 3.581 3.581 3.866 -0.285 19036 7250 1 11 . 1 1 52 52 ILE CA C 52 64.476 64.476 64.049 0.427 19036 7251 1 11 . 1 1 52 52 ILE CB C 52 37.177 37.177 37.722 -0.545 19036 7252 1 11 . 1 1 52 52 ILE H H 52 7.767 7.767 7.879 -0.112 19036 7253 1 11 . 1 1 53 53 ASN N N 53 117.980 117.980 119.275 -1.295 19036 7254 1 11 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.445 -0.028 19036 7255 1 11 . 1 1 53 53 ASN CA C 53 55.988 55.988 56.165 -0.177 19036 7256 1 11 . 1 1 53 53 ASN CB C 53 38.211 38.211 38.028 0.183 19036 7257 1 11 . 1 1 53 53 ASN H H 53 8.669 8.669 8.558 0.111 19036 7258 1 11 . 1 1 54 54 GLU N N 54 116.350 116.350 117.823 -1.473 19036 7259 1 11 . 1 1 54 54 GLU HA H 54 4.066 4.066 4.160 -0.094 19036 7260 1 11 . 1 1 54 54 GLU CA C 54 58.930 58.930 58.445 0.485 19036 7261 1 11 . 1 1 54 54 GLU CB C 54 30.404 30.404 29.735 0.669 19036 7262 1 11 . 1 1 54 54 GLU H H 54 7.566 7.566 7.882 -0.316 19036 7263 1 11 . 1 1 55 55 VAL N N 55 110.520 110.520 116.026 -5.506 19036 7264 1 11 . 1 1 55 55 VAL HA H 55 4.366 4.366 4.277 0.089 19036 7265 1 11 . 1 1 55 55 VAL CA C 55 61.089 61.089 60.291 0.798 19036 7266 1 11 . 1 1 55 55 VAL CB C 55 33.088 33.088 32.679 0.409 19036 7267 1 11 . 1 1 55 55 VAL H H 55 7.242 7.242 7.565 -0.323 19036 7268 1 11 . 1 1 56 56 ASP N N 56 121.390 121.390 121.407 -0.017 19036 7269 1 11 . 1 1 56 56 ASP HA H 56 4.582 4.582 4.716 -0.134 19036 7270 1 11 . 1 1 56 56 ASP CA C 56 53.916 53.916 53.376 0.540 19036 7271 1 11 . 1 1 56 56 ASP CB C 56 40.588 40.588 40.418 0.170 19036 7272 1 11 . 1 1 56 56 ASP H H 56 7.749 7.749 7.490 0.259 19036 7273 1 11 . 1 1 57 57 ALA N N 57 131.640 131.640 129.925 1.715 19036 7274 1 11 . 1 1 57 57 ALA HA H 57 4.247 4.247 4.227 0.020 19036 7275 1 11 . 1 1 57 57 ALA CA C 57 54.341 54.341 53.448 0.893 19036 7276 1 11 . 1 1 57 57 ALA CB C 57 19.800 19.800 19.906 -0.106 19036 7277 1 11 . 1 1 57 57 ALA H H 57 8.323 8.323 8.016 0.307 19036 7278 1 11 . 1 1 58 58 ASP N N 58 114.000 114.000 116.455 -2.455 19036 7279 1 11 . 1 1 58 58 ASP HA H 58 4.682 4.682 4.610 0.072 19036 7280 1 11 . 1 1 58 58 ASP CA C 58 52.705 52.705 53.246 -0.541 19036 7281 1 11 . 1 1 58 58 ASP CB C 58 39.931 39.931 40.595 -0.664 19036 7282 1 11 . 1 1 58 58 ASP H H 58 8.240 8.240 7.993 0.247 19036 7283 1 11 . 1 1 59 59 GLY N N 59 108.660 108.660 108.499 0.161 19036 7284 1 11 . 1 1 59 59 GLY CA C 59 47.306 47.306 46.048 1.258 19036 7285 1 11 . 1 1 59 59 GLY H H 59 7.635 7.635 8.554 -0.919 19036 7286 1 11 . 1 1 60 60 ASN N N 60 118.730 118.730 119.523 -0.793 19036 7287 1 11 . 1 1 60 60 ASN HA H 60 4.658 4.658 4.716 -0.058 19036 7288 1 11 . 1 1 60 60 ASN CA C 60 52.805 52.805 52.047 0.758 19036 7289 1 11 . 1 1 60 60 ASN CB C 60 37.716 37.716 38.691 -0.975 19036 7290 1 11 . 1 1 60 60 ASN H H 60 8.184 8.184 9.084 -0.900 19036 7291 1 11 . 1 1 61 61 GLY N N 61 113.430 113.430 109.305 4.125 19036 7292 1 11 . 1 1 61 61 GLY CA C 61 45.753 45.753 46.102 -0.349 19036 7293 1 11 . 1 1 61 61 GLY H H 61 10.605 10.605 8.992 1.613 19036 7294 1 11 . 1 1 62 62 THR N N 62 108.750 108.750 109.470 -0.720 19036 7295 1 11 . 1 1 62 62 THR HA H 62 4.874 4.874 4.900 -0.026 19036 7296 1 11 . 1 1 62 62 THR CA C 62 59.541 59.541 59.675 -0.134 19036 7297 1 11 . 1 1 62 62 THR CB C 62 72.168 72.168 72.664 -0.496 19036 7298 1 11 . 1 1 62 62 THR H H 62 7.699 7.699 8.308 -0.609 19036 7299 1 11 . 1 1 63 63 ILE N N 63 123.510 123.510 123.337 0.173 19036 7300 1 11 . 1 1 63 63 ILE HA H 63 5.160 5.160 4.701 0.459 19036 7301 1 11 . 1 1 63 63 ILE CA C 63 59.959 59.959 60.395 -0.437 19036 7302 1 11 . 1 1 63 63 ILE CB C 63 39.836 39.836 39.586 0.250 19036 7303 1 11 . 1 1 63 63 ILE H H 63 8.823 8.823 8.101 0.722 19036 7304 1 11 . 1 1 64 64 ASP N N 64 128.370 128.370 128.065 0.305 19036 7305 1 11 . 1 1 64 64 ASP HA H 64 5.463 5.463 5.057 0.406 19036 7306 1 11 . 1 1 64 64 ASP CA C 64 52.257 52.257 53.390 -1.133 19036 7307 1 11 . 1 1 64 64 ASP CB C 64 42.416 42.416 42.195 0.221 19036 7308 1 11 . 1 1 64 64 ASP H H 64 8.946 8.946 8.262 0.684 19036 7309 1 11 . 1 1 65 65 PHE N N 65 118.870 118.870 124.097 -5.227 19036 7310 1 11 . 1 1 65 65 PHE HA H 65 4.028 4.028 3.732 0.296 19036 7311 1 11 . 1 1 65 65 PHE CA C 65 63.404 63.404 63.100 0.304 19036 7312 1 11 . 1 1 65 65 PHE CB C 65 36.123 36.123 36.710 -0.587 19036 7313 1 11 . 1 1 65 65 PHE H H 65 9.000 9.000 8.574 0.426 19036 7314 1 11 . 1 1 66 66 PRO HA H 66 3.918 3.918 3.610 0.308 19036 7315 1 11 . 1 1 66 66 PRO CA C 66 66.799 66.799 65.993 0.807 19036 7316 1 11 . 1 1 66 66 PRO CB C 66 30.789 30.789 30.968 -0.179 19036 7317 1 11 . 1 1 67 67 GLU N N 67 117.930 117.930 118.820 -0.890 19036 7318 1 11 . 1 1 67 67 GLU HA H 67 4.088 4.088 3.938 0.150 19036 7319 1 11 . 1 1 67 67 GLU CA C 67 58.965 58.965 59.327 -0.362 19036 7320 1 11 . 1 1 67 67 GLU CB C 67 29.677 29.677 29.274 0.403 19036 7321 1 11 . 1 1 67 67 GLU H H 67 8.185 8.185 7.667 0.518 19036 7322 1 11 . 1 1 68 68 PHE N N 68 123.830 123.830 121.193 2.637 19036 7323 1 11 . 1 1 68 68 PHE HA H 68 3.957 3.957 4.174 -0.217 19036 7324 1 11 . 1 1 68 68 PHE CA C 68 61.439 61.439 60.740 0.699 19036 7325 1 11 . 1 1 68 68 PHE CB C 68 40.429 40.429 39.090 1.339 19036 7326 1 11 . 1 1 68 68 PHE H H 68 8.794 8.794 8.066 0.728 19036 7327 1 11 . 1 1 69 69 LEU N N 69 119.410 119.410 119.679 -0.269 19036 7328 1 11 . 1 1 69 69 LEU HA H 69 3.394 3.394 3.416 -0.022 19036 7329 1 11 . 1 1 69 69 LEU CA C 69 58.042 58.042 57.852 0.190 19036 7330 1 11 . 1 1 69 69 LEU CB C 69 41.246 41.246 41.201 0.045 19036 7331 1 11 . 1 1 69 69 LEU H H 69 8.662 8.662 8.078 0.584 19036 7332 1 11 . 1 1 70 70 THR N N 70 115.700 115.700 115.621 0.079 19036 7333 1 11 . 1 1 70 70 THR HA H 70 3.783 3.783 3.699 0.084 19036 7334 1 11 . 1 1 70 70 THR CA C 70 66.623 66.623 66.997 -0.374 19036 7335 1 11 . 1 1 70 70 THR CB C 70 68.592 68.592 68.551 0.041 19036 7336 1 11 . 1 1 70 70 THR H H 70 7.744 7.744 7.724 0.020 19036 7337 1 11 . 1 1 71 71 MET N N 71 121.350 121.350 121.435 -0.085 19036 7338 1 11 . 1 1 71 71 MET HA H 71 3.889 3.889 3.933 -0.044 19036 7339 1 11 . 1 1 71 71 MET CA C 71 58.859 58.859 59.074 -0.215 19036 7340 1 11 . 1 1 71 71 MET CB C 71 32.676 32.676 32.538 0.139 19036 7341 1 11 . 1 1 71 71 MET H H 71 7.622 7.622 7.388 0.234 19036 7342 1 11 . 1 1 72 72 MET N N 72 117.390 117.390 116.348 1.042 19036 7343 1 11 . 1 1 72 72 MET HA H 72 3.973 3.973 3.952 0.021 19036 7344 1 11 . 1 1 72 72 MET CA C 72 56.030 56.030 57.378 -1.348 19036 7345 1 11 . 1 1 72 72 MET CB C 72 30.934 30.934 31.185 -0.251 19036 7346 1 11 . 1 1 72 72 MET H H 72 8.066 8.066 7.490 0.576 19036 7347 1 11 . 1 1 73 73 ALA N N 73 121.670 121.670 121.095 0.575 19036 7348 1 11 . 1 1 73 73 ALA HA H 73 4.103 4.103 4.106 -0.003 19036 7349 1 11 . 1 1 73 73 ALA CA C 73 54.517 54.517 54.266 0.251 19036 7350 1 11 . 1 1 73 73 ALA CB C 73 18.381 18.381 18.376 0.005 19036 7351 1 11 . 1 1 73 73 ALA H H 73 8.276 8.276 7.733 0.543 19036 7352 1 11 . 1 1 74 74 ARG N N 74 117.220 117.220 118.818 -1.598 19036 7353 1 11 . 1 1 74 74 ARG HA H 74 4.113 4.113 3.913 0.200 19036 7354 1 11 . 1 1 74 74 ARG CA C 74 58.327 58.327 59.136 -0.809 19036 7355 1 11 . 1 1 74 74 ARG CB C 74 30.378 30.378 29.901 0.477 19036 7356 1 11 . 1 1 74 74 ARG H H 74 7.539 7.539 8.160 -0.621 19036 7357 1 11 . 1 1 75 75 LYS N N 75 119.120 119.120 118.465 0.655 19036 7358 1 11 . 1 1 75 75 LYS HA H 75 4.261 4.261 3.970 0.291 19036 7359 1 11 . 1 1 75 75 LYS CA C 75 56.990 56.990 59.275 -2.285 19036 7360 1 11 . 1 1 75 75 LYS CB C 75 32.412 32.412 31.992 0.420 19036 7361 1 11 . 1 1 75 75 LYS H H 75 7.833 7.833 7.530 0.303 19036 7362 1 11 . 1 1 76 76 MET N N 76 118.860 118.860 119.079 -0.219 19036 7363 1 11 . 1 1 76 76 MET HA H 76 4.370 4.370 4.193 0.177 19036 7364 1 11 . 1 1 76 76 MET CA C 76 56.700 56.700 58.161 -1.461 19036 7365 1 11 . 1 1 76 76 MET CB C 76 32.981 32.981 32.181 0.800 19036 7366 1 11 . 1 1 76 76 MET H H 76 8.000 8.000 7.687 0.313 19036 7367 1 11 . 1 1 77 77 LYS N N 77 120.200 120.200 115.488 4.712 19036 7368 1 11 . 1 1 77 77 LYS HA H 77 4.352 4.352 4.254 0.098 19036 7369 1 11 . 1 1 77 77 LYS CA C 77 56.709 56.709 55.939 0.770 19036 7370 1 11 . 1 1 77 77 LYS CB C 77 33.138 33.138 32.236 0.902 19036 7371 1 11 . 1 1 77 77 LYS H H 77 7.866 7.866 7.518 0.348 19036 7372 1 11 . 1 1 78 78 ASP N N 78 121.430 121.430 117.824 3.606 19036 7373 1 11 . 1 1 78 78 ASP HA H 78 4.691 4.691 4.363 0.328 19036 7374 1 11 . 1 1 78 78 ASP CA C 78 54.771 54.771 55.180 -0.409 19036 7375 1 11 . 1 1 78 78 ASP CB C 78 41.222 41.222 39.595 1.627 19036 7376 1 11 . 1 1 78 78 ASP H H 78 8.250 8.250 7.802 0.448 19036 7377 1 11 . 1 1 79 79 THR N N 79 114.390 114.390 112.505 1.885 19036 7378 1 11 . 1 1 79 79 THR HA H 79 4.337 4.337 4.359 -0.022 19036 7379 1 11 . 1 1 79 79 THR CA C 79 62.349 62.349 63.706 -1.357 19036 7380 1 11 . 1 1 79 79 THR CB C 79 69.875 69.875 69.350 0.525 19036 7381 1 11 . 1 1 79 79 THR H H 79 8.093 8.093 7.680 0.413 19036 7382 1 11 . 1 1 80 80 ASP N N 80 123.460 123.460 122.054 1.406 19036 7383 1 11 . 1 1 80 80 ASP HA H 80 4.721 4.721 4.770 -0.049 19036 7384 1 11 . 1 1 80 80 ASP CA C 80 54.655 54.655 56.144 -1.489 19036 7385 1 11 . 1 1 80 80 ASP CB C 80 41.416 41.416 40.754 0.662 19036 7386 1 11 . 1 1 80 80 ASP H H 80 8.455 8.455 8.693 -0.238 19036 7387 1 11 . 1 1 81 81 SER N N 81 117.440 117.440 115.368 2.072 19036 7388 1 11 . 1 1 81 81 SER HA H 81 4.455 4.455 4.042 0.413 19036 7389 1 11 . 1 1 81 81 SER CA C 81 59.571 59.571 61.359 -1.788 19036 7390 1 11 . 1 1 81 81 SER CB C 81 63.825 63.825 62.737 1.087 19036 7391 1 11 . 1 1 81 81 SER H H 81 8.505 8.505 8.597 -0.092 19036 7392 1 11 . 1 1 82 82 GLU N N 82 122.380 122.380 120.959 1.421 19036 7393 1 11 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.072 0.113 19036 7394 1 11 . 1 1 82 82 GLU CA C 82 58.800 58.800 58.810 -0.010 19036 7395 1 11 . 1 1 82 82 GLU CB C 82 29.660 29.660 29.128 0.532 19036 7396 1 11 . 1 1 82 82 GLU H H 82 8.508 8.508 7.954 0.554 19036 7397 1 11 . 1 1 83 83 GLU N N 83 119.670 119.670 119.008 0.662 19036 7398 1 11 . 1 1 83 83 GLU HA H 83 4.085 4.085 4.027 0.058 19036 7399 1 11 . 1 1 83 83 GLU CA C 83 59.576 59.576 59.304 0.272 19036 7400 1 11 . 1 1 83 83 GLU CB C 83 29.410 29.410 29.558 -0.148 19036 7401 1 11 . 1 1 83 83 GLU H H 83 8.297 8.297 8.359 -0.062 19036 7402 1 11 . 1 1 84 84 GLU N N 84 118.700 118.700 118.277 0.423 19036 7403 1 11 . 1 1 84 84 GLU HA H 84 4.135 4.135 4.199 -0.064 19036 7404 1 11 . 1 1 84 84 GLU CA C 84 59.523 59.523 59.130 0.393 19036 7405 1 11 . 1 1 84 84 GLU CB C 84 29.607 29.607 29.167 0.440 19036 7406 1 11 . 1 1 84 84 GLU H H 84 8.218 8.218 7.763 0.455 19036 7407 1 11 . 1 1 85 85 ILE N N 85 121.500 121.500 120.927 0.573 19036 7408 1 11 . 1 1 85 85 ILE HA H 85 3.981 3.981 3.814 0.167 19036 7409 1 11 . 1 1 85 85 ILE CA C 85 64.941 64.941 65.006 -0.065 19036 7410 1 11 . 1 1 85 85 ILE CB C 85 37.484 37.484 37.473 0.011 19036 7411 1 11 . 1 1 85 85 ILE H H 85 7.980 7.980 7.152 0.828 19036 7412 1 11 . 1 1 86 86 ARG N N 86 121.710 121.710 118.514 3.196 19036 7413 1 11 . 1 1 86 86 ARG HA H 86 4.186 4.186 4.297 -0.111 19036 7414 1 11 . 1 1 86 86 ARG CA C 86 60.202 60.202 59.602 0.600 19036 7415 1 11 . 1 1 86 86 ARG CB C 86 30.026 30.026 30.121 -0.095 19036 7416 1 11 . 1 1 86 86 ARG H H 86 8.471 8.471 7.576 0.895 19036 7417 1 11 . 1 1 87 87 GLU N N 87 118.710 118.710 119.788 -1.078 19036 7418 1 11 . 1 1 87 87 GLU HA H 87 4.179 4.179 4.208 -0.029 19036 7419 1 11 . 1 1 87 87 GLU CA C 87 58.995 58.995 58.729 0.266 19036 7420 1 11 . 1 1 87 87 GLU CB C 87 29.201 29.201 29.351 -0.150 19036 7421 1 11 . 1 1 87 87 GLU H H 87 8.211 8.211 7.627 0.584 19036 7422 1 11 . 1 1 88 88 ALA N N 88 121.910 121.910 121.562 0.348 19036 7423 1 11 . 1 1 88 88 ALA HA H 88 4.180 4.180 4.235 -0.055 19036 7424 1 11 . 1 1 88 88 ALA CA C 88 55.275 55.275 55.158 0.117 19036 7425 1 11 . 1 1 88 88 ALA CB C 88 17.936 17.936 18.372 -0.436 19036 7426 1 11 . 1 1 88 88 ALA H H 88 8.037 8.037 8.514 -0.477 19036 7427 1 11 . 1 1 89 89 PHE N N 89 118.790 118.790 119.395 -0.605 19036 7428 1 11 . 1 1 89 89 PHE HA H 89 3.188 3.188 3.752 -0.564 19036 7429 1 11 . 1 1 89 89 PHE CA C 89 62.283 62.283 61.254 1.029 19036 7430 1 11 . 1 1 89 89 PHE CB C 89 39.238 39.238 39.005 0.233 19036 7431 1 11 . 1 1 89 89 PHE H H 89 8.623 8.623 7.911 0.712 19036 7432 1 11 . 1 1 90 90 ARG N N 90 115.890 115.890 119.693 -3.803 19036 7433 1 11 . 1 1 90 90 ARG HA H 90 3.906 3.906 4.136 -0.230 19036 7434 1 11 . 1 1 90 90 ARG CA C 90 58.950 58.950 59.456 -0.506 19036 7435 1 11 . 1 1 90 90 ARG CB C 90 30.414 30.414 30.126 0.288 19036 7436 1 11 . 1 1 90 90 ARG H H 90 7.775 7.775 7.932 -0.157 19036 7437 1 11 . 1 1 91 91 VAL N N 91 118.320 118.320 118.239 0.081 19036 7438 1 11 . 1 1 91 91 VAL HA H 91 3.515 3.515 3.758 -0.243 19036 7439 1 11 . 1 1 91 91 VAL CA C 91 65.726 65.726 64.974 0.752 19036 7440 1 11 . 1 1 91 91 VAL CB C 91 31.579 31.579 31.619 -0.040 19036 7441 1 11 . 1 1 91 91 VAL H H 91 7.538 7.538 7.331 0.207 19036 7442 1 11 . 1 1 92 92 PHE N N 92 115.750 115.750 116.778 -1.028 19036 7443 1 11 . 1 1 92 92 PHE HA H 92 4.247 4.247 4.122 0.125 19036 7444 1 11 . 1 1 92 92 PHE CA C 92 60.241 60.241 60.901 -0.660 19036 7445 1 11 . 1 1 92 92 PHE CB C 92 40.951 40.951 39.288 1.663 19036 7446 1 11 . 1 1 92 92 PHE H H 92 7.381 7.381 8.012 -0.631 19036 7447 1 11 . 1 1 93 93 ASP N N 93 116.590 116.590 118.025 -1.435 19036 7448 1 11 . 1 1 93 93 ASP HA H 93 4.590 4.590 4.833 -0.243 19036 7449 1 11 . 1 1 93 93 ASP CA C 93 52.466 52.466 52.400 0.066 19036 7450 1 11 . 1 1 93 93 ASP CB C 93 38.478 38.478 39.486 -1.008 19036 7451 1 11 . 1 1 93 93 ASP H H 93 7.900 7.900 7.769 0.131 19036 7452 1 11 . 1 1 94 94 LYS N N 94 126.160 126.160 123.143 3.017 19036 7453 1 11 . 1 1 94 94 LYS HA H 94 3.945 3.945 4.157 -0.212 19036 7454 1 11 . 1 1 94 94 LYS CA C 94 59.072 59.072 57.641 1.431 19036 7455 1 11 . 1 1 94 94 LYS CB C 94 32.589 32.589 32.508 0.081 19036 7456 1 11 . 1 1 94 94 LYS H H 94 7.790 7.790 7.789 0.001 19036 7457 1 11 . 1 1 95 95 ASP N N 95 114.060 114.060 120.035 -5.975 19036 7458 1 11 . 1 1 95 95 ASP HA H 95 4.579 4.579 4.530 0.049 19036 7459 1 11 . 1 1 95 95 ASP CA C 95 53.120 53.120 55.788 -2.668 19036 7460 1 11 . 1 1 95 95 ASP CB C 95 40.043 40.043 40.812 -0.769 19036 7461 1 11 . 1 1 95 95 ASP H H 95 8.237 8.237 9.155 -0.918 19036 7462 1 11 . 1 1 96 96 GLY N N 96 109.410 109.410 106.967 2.443 19036 7463 1 11 . 1 1 96 96 GLY CA C 96 47.263 47.263 45.849 1.413 19036 7464 1 11 . 1 1 96 96 GLY H H 96 7.839 7.839 8.331 -0.492 19036 7465 1 11 . 1 1 97 97 ASN N N 97 119.630 119.630 119.562 0.068 19036 7466 1 11 . 1 1 97 97 ASN HA H 97 4.659 4.659 4.664 -0.005 19036 7467 1 11 . 1 1 97 97 ASN CA C 97 52.681 52.681 52.664 0.016 19036 7468 1 11 . 1 1 97 97 ASN CB C 97 38.311 38.311 38.063 0.248 19036 7469 1 11 . 1 1 97 97 ASN H H 97 8.377 8.377 8.310 0.067 19036 7470 1 11 . 1 1 98 98 GLY N N 98 112.970 112.970 107.269 5.701 19036 7471 1 11 . 1 1 98 98 GLY CA C 98 45.183 45.183 45.440 -0.257 19036 7472 1 11 . 1 1 98 98 GLY H H 98 10.687 10.687 8.273 2.414 19036 7473 1 11 . 1 1 99 99 TYR N N 99 116.080 116.080 117.996 -1.916 19036 7474 1 11 . 1 1 99 99 TYR HA H 99 5.065 5.065 5.116 -0.051 19036 7475 1 11 . 1 1 99 99 TYR CA C 99 56.198 56.198 56.743 -0.545 19036 7476 1 11 . 1 1 99 99 TYR CB C 99 43.110 43.110 41.784 1.326 19036 7477 1 11 . 1 1 99 99 TYR H H 99 7.671 7.671 7.971 -0.300 19036 7478 1 11 . 1 1 100 100 ILE N N 100 127.320 127.320 124.131 3.189 19036 7479 1 11 . 1 1 100 100 ILE HA H 100 4.780 4.780 4.598 0.182 19036 7480 1 11 . 1 1 100 100 ILE CA C 100 60.731 60.731 60.433 0.298 19036 7481 1 11 . 1 1 100 100 ILE CB C 100 39.050 39.050 39.446 -0.396 19036 7482 1 11 . 1 1 100 100 ILE H H 100 10.163 10.163 8.768 1.395 19036 7483 1 11 . 1 1 101 101 SER N N 101 123.810 123.810 122.941 0.869 19036 7484 1 11 . 1 1 101 101 SER HA H 101 4.898 4.898 4.878 0.020 19036 7485 1 11 . 1 1 101 101 SER CA C 101 55.840 55.840 56.330 -0.490 19036 7486 1 11 . 1 1 101 101 SER CB C 101 66.799 66.799 66.376 0.423 19036 7487 1 11 . 1 1 101 101 SER H H 101 8.970 8.970 8.261 0.709 19036 7488 1 11 . 1 1 102 102 ALA N N 102 123.130 123.130 124.418 -1.288 19036 7489 1 11 . 1 1 102 102 ALA HA H 102 3.927 3.927 3.979 -0.052 19036 7490 1 11 . 1 1 102 102 ALA CA C 102 56.023 56.023 55.164 0.859 19036 7491 1 11 . 1 1 102 102 ALA CB C 102 18.139 18.139 18.073 0.066 19036 7492 1 11 . 1 1 102 102 ALA H H 102 9.269 9.269 8.872 0.397 19036 7493 1 11 . 1 1 103 103 ALA N N 103 118.460 118.460 120.673 -2.213 19036 7494 1 11 . 1 1 103 103 ALA HA H 103 4.058 4.058 4.100 -0.042 19036 7495 1 11 . 1 1 103 103 ALA CA C 103 55.250 55.250 54.790 0.460 19036 7496 1 11 . 1 1 103 103 ALA CB C 103 18.492 18.492 18.116 0.376 19036 7497 1 11 . 1 1 103 103 ALA H H 103 8.294 8.294 8.458 -0.164 19036 7498 1 11 . 1 1 104 104 GLU N N 104 120.070 120.070 119.149 0.921 19036 7499 1 11 . 1 1 104 104 GLU HA H 104 4.073 4.073 4.023 0.050 19036 7500 1 11 . 1 1 104 104 GLU CA C 104 59.567 59.567 59.298 0.269 19036 7501 1 11 . 1 1 104 104 GLU CB C 104 29.262 29.262 29.526 -0.264 19036 7502 1 11 . 1 1 104 104 GLU H H 104 7.939 7.939 7.711 0.228 19036 7503 1 11 . 1 1 105 105 LEU N N 105 120.990 120.990 120.018 0.972 19036 7504 1 11 . 1 1 105 105 LEU HA H 105 4.133 4.133 4.101 0.032 19036 7505 1 11 . 1 1 105 105 LEU CA C 105 58.618 58.618 58.490 0.128 19036 7506 1 11 . 1 1 105 105 LEU CB C 105 42.210 42.210 42.001 0.209 19036 7507 1 11 . 1 1 105 105 LEU H H 105 8.534 8.534 7.589 0.945 19036 7508 1 11 . 1 1 106 106 ARG N N 106 117.580 117.580 118.871 -1.291 19036 7509 1 11 . 1 1 106 106 ARG HA H 106 3.832 3.832 3.945 -0.113 19036 7510 1 11 . 1 1 106 106 ARG CA C 106 60.041 60.041 59.450 0.591 19036 7511 1 11 . 1 1 106 106 ARG CB C 106 30.648 30.648 30.074 0.574 19036 7512 1 11 . 1 1 106 106 ARG H H 106 8.667 8.667 7.880 0.787 19036 7513 1 11 . 1 1 107 107 HIS N N 107 118.880 118.880 119.068 -0.188 19036 7514 1 11 . 1 1 107 107 HIS HA H 107 4.338 4.338 4.345 -0.007 19036 7515 1 11 . 1 1 107 107 HIS CA C 107 59.771 59.771 58.818 0.953 19036 7516 1 11 . 1 1 107 107 HIS CB C 107 30.491 30.491 29.719 0.772 19036 7517 1 11 . 1 1 107 107 HIS H H 107 8.071 8.071 7.795 0.276 19036 7518 1 11 . 1 1 108 108 VAL N N 108 119.170 119.170 119.007 0.163 19036 7519 1 11 . 1 1 108 108 VAL HA H 108 3.556 3.556 3.347 0.209 19036 7520 1 11 . 1 1 108 108 VAL CA C 108 66.580 66.580 66.341 0.239 19036 7521 1 11 . 1 1 108 108 VAL CB C 108 31.920 31.920 31.652 0.268 19036 7522 1 11 . 1 1 108 108 VAL H H 108 8.107 8.107 7.555 0.552 19036 7523 1 11 . 1 1 109 109 MET N N 109 116.290 116.290 117.590 -1.300 19036 7524 1 11 . 1 1 109 109 MET HA H 109 4.326 4.326 4.109 0.217 19036 7525 1 11 . 1 1 109 109 MET CA C 109 57.824 57.824 59.297 -1.473 19036 7526 1 11 . 1 1 109 109 MET CB C 109 31.052 31.052 32.565 -1.513 19036 7527 1 11 . 1 1 109 109 MET H H 109 8.280 8.280 7.993 0.287 19036 7528 1 11 . 1 1 110 110 THR N N 110 115.190 115.190 115.989 -0.799 19036 7529 1 11 . 1 1 110 110 THR HA H 110 4.166 4.166 4.257 -0.091 19036 7530 1 11 . 1 1 110 110 THR CA C 110 66.182 66.182 65.555 0.627 19036 7531 1 11 . 1 1 110 110 THR CB C 110 68.951 68.951 68.230 0.721 19036 7532 1 11 . 1 1 110 110 THR H H 110 8.244 8.244 7.896 0.348 19036 7533 1 11 . 1 1 111 111 ASN N N 111 122.310 122.310 119.842 2.468 19036 7534 1 11 . 1 1 111 111 ASN HA H 111 4.502 4.502 4.536 -0.034 19036 7535 1 11 . 1 1 111 111 ASN CA C 111 55.931 55.931 55.461 0.470 19036 7536 1 11 . 1 1 111 111 ASN CB C 111 38.585 38.585 38.044 0.541 19036 7537 1 11 . 1 1 111 111 ASN H H 111 7.904 7.904 7.843 0.061 19036 7538 1 11 . 1 1 112 112 LEU N N 112 118.850 118.850 118.226 0.624 19036 7539 1 11 . 1 1 112 112 LEU HA H 112 4.354 4.354 4.509 -0.155 19036 7540 1 11 . 1 1 112 112 LEU CA C 112 55.274 55.274 54.596 0.678 19036 7541 1 11 . 1 1 112 112 LEU CB C 112 42.218 42.218 41.768 0.450 19036 7542 1 11 . 1 1 112 112 LEU H H 112 7.873 7.873 7.317 0.556 19036 7543 1 11 . 1 1 113 113 GLY N N 113 106.700 106.700 108.021 -1.321 19036 7544 1 11 . 1 1 113 113 GLY CA C 113 45.596 45.596 45.123 0.473 19036 7545 1 11 . 1 1 113 113 GLY H H 113 7.844 7.844 7.739 0.105 19036 7546 1 11 . 1 1 114 114 GLU N N 114 120.140 120.140 121.382 -1.242 19036 7547 1 11 . 1 1 114 114 GLU HA H 114 4.459 4.459 4.516 -0.057 19036 7548 1 11 . 1 1 114 114 GLU CA C 114 55.046 55.046 55.319 -0.273 19036 7549 1 11 . 1 1 114 114 GLU CB C 114 30.469 30.469 31.527 -1.058 19036 7550 1 11 . 1 1 114 114 GLU H H 114 7.946 7.946 7.752 0.194 19036 7551 1 11 . 1 1 115 115 LYS N N 115 124.130 124.130 125.965 -1.835 19036 7552 1 11 . 1 1 115 115 LYS HA H 115 4.394 4.394 4.601 -0.207 19036 7553 1 11 . 1 1 115 115 LYS CA C 115 55.794 55.794 56.101 -0.307 19036 7554 1 11 . 1 1 115 115 LYS CB C 115 32.191 32.191 33.402 -1.211 19036 7555 1 11 . 1 1 115 115 LYS H H 115 8.646 8.646 8.634 0.012 19036 7556 1 11 . 1 1 116 116 LEU N N 116 124.840 124.840 126.584 -1.744 19036 7557 1 11 . 1 1 116 116 LEU HA H 116 4.793 4.793 4.818 -0.025 19036 7558 1 11 . 1 1 116 116 LEU CA C 116 54.127 54.127 53.033 1.094 19036 7559 1 11 . 1 1 116 116 LEU CB C 116 44.934 44.934 43.984 0.950 19036 7560 1 11 . 1 1 116 116 LEU H H 116 8.097 8.097 8.270 -0.173 19036 7561 1 11 . 1 1 117 117 THR N N 117 114.690 114.690 110.253 4.437 19036 7562 1 11 . 1 1 117 117 THR HA H 117 4.492 4.492 4.584 -0.092 19036 7563 1 11 . 1 1 117 117 THR CA C 117 60.751 60.751 60.686 0.065 19036 7564 1 11 . 1 1 117 117 THR CB C 117 71.303 71.303 70.947 0.356 19036 7565 1 11 . 1 1 117 117 THR H H 117 9.252 9.252 7.970 1.282 19036 7566 1 11 . 1 1 118 118 ASP N N 118 121.130 121.130 122.872 -1.742 19036 7567 1 11 . 1 1 118 118 ASP HA H 118 4.232 4.232 4.269 -0.037 19036 7568 1 11 . 1 1 118 118 ASP CA C 118 58.080 58.080 57.080 1.000 19036 7569 1 11 . 1 1 118 118 ASP CB C 118 39.870 39.870 40.085 -0.215 19036 7570 1 11 . 1 1 118 118 ASP H H 118 8.936 8.936 8.962 -0.026 19036 7571 1 11 . 1 1 119 119 GLU N N 119 119.110 119.110 119.720 -0.610 19036 7572 1 11 . 1 1 119 119 GLU HA H 119 4.117 4.117 4.032 0.085 19036 7573 1 11 . 1 1 119 119 GLU CA C 119 60.043 60.043 59.629 0.414 19036 7574 1 11 . 1 1 119 119 GLU CB C 119 29.135 29.135 29.404 -0.268 19036 7575 1 11 . 1 1 119 119 GLU H H 119 8.715 8.715 8.661 0.054 19036 7576 1 11 . 1 1 120 120 GLU N N 120 120.680 120.680 119.474 1.206 19036 7577 1 11 . 1 1 120 120 GLU HA H 120 4.062 4.062 4.129 -0.067 19036 7578 1 11 . 1 1 120 120 GLU CA C 120 59.138 59.138 59.081 0.057 19036 7579 1 11 . 1 1 120 120 GLU CB C 120 30.420 30.420 29.643 0.777 19036 7580 1 11 . 1 1 120 120 GLU H H 120 7.809 7.809 7.544 0.265 19036 7581 1 11 . 1 1 121 121 VAL N N 121 120.660 120.660 119.683 0.977 19036 7582 1 11 . 1 1 121 121 VAL HA H 121 3.637 3.637 3.632 0.005 19036 7583 1 11 . 1 1 121 121 VAL CA C 121 67.003 67.003 67.177 -0.174 19036 7584 1 11 . 1 1 121 121 VAL CB C 121 31.463 31.463 31.938 -0.475 19036 7585 1 11 . 1 1 121 121 VAL H H 121 8.079 8.079 7.975 0.104 19036 7586 1 11 . 1 1 122 122 ASP N N 122 119.590 119.590 120.246 -0.656 19036 7587 1 11 . 1 1 122 122 ASP HA H 122 4.349 4.349 4.311 0.038 19036 7588 1 11 . 1 1 122 122 ASP CA C 122 57.718 57.718 57.870 -0.152 19036 7589 1 11 . 1 1 122 122 ASP CB C 122 40.593 40.593 40.956 -0.363 19036 7590 1 11 . 1 1 122 122 ASP H H 122 8.124 8.124 8.671 -0.547 19036 7591 1 11 . 1 1 123 123 GLU N N 123 119.760 119.760 119.376 0.384 19036 7592 1 11 . 1 1 123 123 GLU HA H 123 4.051 4.051 3.969 0.082 19036 7593 1 11 . 1 1 123 123 GLU CA C 123 59.144 59.144 59.046 0.098 19036 7594 1 11 . 1 1 123 123 GLU CB C 123 29.161 29.161 29.609 -0.448 19036 7595 1 11 . 1 1 123 123 GLU H H 123 8.034 8.034 8.192 -0.158 19036 7596 1 11 . 1 1 124 124 MET N N 124 119.580 119.580 120.620 -1.040 19036 7597 1 11 . 1 1 124 124 MET HA H 124 4.024 4.024 4.115 -0.091 19036 7598 1 11 . 1 1 124 124 MET CA C 124 59.353 59.353 59.275 0.078 19036 7599 1 11 . 1 1 124 124 MET CB C 124 33.497 33.497 32.698 0.799 19036 7600 1 11 . 1 1 124 124 MET H H 124 7.871 7.871 7.477 0.394 19036 7601 1 11 . 1 1 125 125 ILE N N 125 118.210 118.210 119.011 -0.801 19036 7602 1 11 . 1 1 125 125 ILE HA H 125 3.524 3.524 3.696 -0.172 19036 7603 1 11 . 1 1 125 125 ILE CA C 125 63.855 63.855 64.700 -0.845 19036 7604 1 11 . 1 1 125 125 ILE CB C 125 36.457 36.457 37.276 -0.819 19036 7605 1 11 . 1 1 125 125 ILE H H 125 7.953 7.953 7.548 0.405 19036 7606 1 11 . 1 1 126 126 ARG N N 126 118.420 118.420 118.259 0.161 19036 7607 1 11 . 1 1 126 126 ARG HA H 126 4.038 4.038 4.046 -0.008 19036 7608 1 11 . 1 1 126 126 ARG CA C 126 59.809 59.809 59.319 0.490 19036 7609 1 11 . 1 1 126 126 ARG CB C 126 30.311 30.311 30.142 0.170 19036 7610 1 11 . 1 1 126 126 ARG H H 126 8.228 8.228 7.754 0.474 19036 7611 1 11 . 1 1 127 127 GLU N N 127 115.830 115.830 120.687 -4.857 19036 7612 1 11 . 1 1 127 127 GLU HA H 127 4.026 4.026 4.131 -0.105 19036 7613 1 11 . 1 1 127 127 GLU CA C 127 58.489 58.489 58.517 -0.028 19036 7614 1 11 . 1 1 127 127 GLU CB C 127 29.435 29.435 29.664 -0.229 19036 7615 1 11 . 1 1 127 127 GLU H H 127 7.950 7.950 8.166 -0.216 19036 7616 1 11 . 1 1 128 128 ALA N N 128 119.010 119.010 118.976 0.034 19036 7617 1 11 . 1 1 128 128 ALA HA H 128 4.444 4.444 4.320 0.124 19036 7618 1 11 . 1 1 128 128 ALA CA C 128 52.125 52.125 51.979 0.146 19036 7619 1 11 . 1 1 128 128 ALA CB C 128 21.322 21.322 19.401 1.921 19036 7620 1 11 . 1 1 128 128 ALA H H 128 7.386 7.386 7.564 -0.178 19036 7621 1 11 . 1 1 129 129 ASP N N 129 117.790 117.790 119.917 -2.127 19036 7622 1 11 . 1 1 129 129 ASP HA H 129 4.516 4.516 4.671 -0.155 19036 7623 1 11 . 1 1 129 129 ASP CA C 129 54.190 54.190 53.942 0.248 19036 7624 1 11 . 1 1 129 129 ASP CB C 129 40.587 40.587 39.554 1.033 19036 7625 1 11 . 1 1 129 129 ASP H H 129 7.913 7.913 7.493 0.420 19036 7626 1 11 . 1 1 130 130 ILE N N 130 127.770 127.770 122.913 4.857 19036 7627 1 11 . 1 1 130 130 ILE HA H 130 3.938 3.938 3.992 -0.054 19036 7628 1 11 . 1 1 130 130 ILE CA C 130 63.431 63.431 63.013 0.418 19036 7629 1 11 . 1 1 130 130 ILE CB C 130 38.748 38.748 38.450 0.298 19036 7630 1 11 . 1 1 130 130 ILE H H 130 8.332 8.332 8.054 0.278 19036 7631 1 11 . 1 1 131 131 ASP N N 131 116.680 116.680 119.293 -2.613 19036 7632 1 11 . 1 1 131 131 ASP HA H 131 4.493 4.493 4.513 -0.020 19036 7633 1 11 . 1 1 131 131 ASP CA C 131 53.734 53.734 54.675 -0.941 19036 7634 1 11 . 1 1 131 131 ASP CB C 131 40.062 40.062 41.307 -1.245 19036 7635 1 11 . 1 1 131 131 ASP H H 131 8.371 8.371 8.543 -0.172 19036 7636 1 11 . 1 1 132 132 GLY N N 132 108.680 108.680 108.669 0.011 19036 7637 1 11 . 1 1 132 132 GLY CA C 132 47.587 47.587 45.362 2.225 19036 7638 1 11 . 1 1 132 132 GLY H H 132 7.636 7.636 8.294 -0.658 19036 7639 1 11 . 1 1 133 133 ASP N N 133 120.930 120.930 121.041 -0.111 19036 7640 1 11 . 1 1 133 133 ASP HA H 133 4.530 4.530 4.522 0.008 19036 7641 1 11 . 1 1 133 133 ASP CA C 133 53.845 53.845 53.477 0.368 19036 7642 1 11 . 1 1 133 133 ASP CB C 133 40.322 40.322 40.952 -0.630 19036 7643 1 11 . 1 1 133 133 ASP H H 133 8.378 8.378 8.629 -0.251 19036 7644 1 11 . 1 1 134 134 GLY N N 134 112.990 112.990 108.887 4.103 19036 7645 1 11 . 1 1 134 134 GLY CA C 134 45.855 45.855 45.442 0.413 19036 7646 1 11 . 1 1 134 134 GLY H H 134 10.401 10.401 8.051 2.350 19036 7647 1 11 . 1 1 135 135 GLN N N 135 115.490 115.490 117.482 -1.992 19036 7648 1 11 . 1 1 135 135 GLN HA H 135 4.887 4.887 4.667 0.220 19036 7649 1 11 . 1 1 135 135 GLN CA C 135 53.289 53.289 54.140 -0.851 19036 7650 1 11 . 1 1 135 135 GLN CB C 135 32.515 32.515 32.602 -0.087 19036 7651 1 11 . 1 1 135 135 GLN H H 135 8.007 8.007 8.659 -0.652 19036 7652 1 11 . 1 1 136 136 VAL N N 136 125.480 125.480 122.294 3.186 19036 7653 1 11 . 1 1 136 136 VAL HA H 136 5.213 5.213 4.762 0.451 19036 7654 1 11 . 1 1 136 136 VAL CA C 136 61.784 61.784 60.042 1.742 19036 7655 1 11 . 1 1 136 136 VAL CB C 136 33.839 33.839 31.525 2.314 19036 7656 1 11 . 1 1 136 136 VAL H H 136 9.167 9.167 8.044 1.123 19036 7657 1 11 . 1 1 137 137 ASN N N 137 129.140 129.140 125.988 3.152 19036 7658 1 11 . 1 1 137 137 ASN HA H 137 5.288 5.288 5.254 0.034 19036 7659 1 11 . 1 1 137 137 ASN CA C 137 51.176 51.176 51.142 0.033 19036 7660 1 11 . 1 1 137 137 ASN CB C 137 38.446 38.446 40.056 -1.610 19036 7661 1 11 . 1 1 137 137 ASN H H 137 9.576 9.576 8.682 0.894 19036 7662 1 11 . 1 1 138 138 TYR N N 138 118.600 118.600 120.758 -2.158 19036 7663 1 11 . 1 1 138 138 TYR HA H 138 3.456 3.456 4.207 -0.751 19036 7664 1 11 . 1 1 138 138 TYR CA C 138 62.842 62.842 64.212 -1.370 19036 7665 1 11 . 1 1 138 138 TYR CB C 138 37.805 37.805 38.200 -0.396 19036 7666 1 11 . 1 1 138 138 TYR H H 138 8.464 8.464 8.997 -0.533 19036 7667 1 11 . 1 1 139 139 GLU N N 139 118.470 118.470 118.698 -0.228 19036 7668 1 11 . 1 1 139 139 GLU HA H 139 3.686 3.686 3.998 -0.312 19036 7669 1 11 . 1 1 139 139 GLU CA C 139 60.456 60.456 60.274 0.182 19036 7670 1 11 . 1 1 139 139 GLU CB C 139 29.008 29.008 28.858 0.150 19036 7671 1 11 . 1 1 139 139 GLU H H 139 8.152 8.152 8.942 -0.790 19036 7672 1 11 . 1 1 140 140 GLU N N 140 119.970 119.970 120.083 -0.113 19036 7673 1 11 . 1 1 140 140 GLU HA H 140 4.025 4.025 4.078 -0.053 19036 7674 1 11 . 1 1 140 140 GLU CA C 140 58.655 58.655 58.924 -0.269 19036 7675 1 11 . 1 1 140 140 GLU CB C 140 29.868 29.868 29.528 0.340 19036 7676 1 11 . 1 1 140 140 GLU H H 140 8.815 8.815 8.137 0.678 19036 7677 1 11 . 1 1 141 141 PHE N N 141 124.860 124.860 121.529 3.331 19036 7678 1 11 . 1 1 141 141 PHE HA H 141 4.000 4.000 4.164 -0.164 19036 7679 1 11 . 1 1 141 141 PHE CA C 141 61.733 61.733 60.999 0.734 19036 7680 1 11 . 1 1 141 141 PHE CB C 141 40.089 40.089 39.207 0.882 19036 7681 1 11 . 1 1 141 141 PHE H H 141 8.927 8.927 8.836 0.091 19036 7682 1 11 . 1 1 142 142 VAL N N 142 119.400 119.400 117.714 1.686 19036 7683 1 11 . 1 1 142 142 VAL HA H 142 3.152 3.152 3.356 -0.204 19036 7684 1 11 . 1 1 142 142 VAL CA C 142 67.139 67.139 66.436 0.703 19036 7685 1 11 . 1 1 142 142 VAL CB C 142 31.622 31.622 31.258 0.364 19036 7686 1 11 . 1 1 142 142 VAL H H 142 8.635 8.635 8.427 0.208 19036 7687 1 11 . 1 1 143 143 GLN N N 143 118.420 118.420 117.829 0.591 19036 7688 1 11 . 1 1 143 143 GLN HA H 143 3.902 3.902 4.188 -0.286 19036 7689 1 11 . 1 1 143 143 GLN CA C 143 58.894 58.894 57.409 1.485 19036 7690 1 11 . 1 1 143 143 GLN CB C 143 28.186 28.186 28.791 -0.605 19036 7691 1 11 . 1 1 143 143 GLN H H 143 7.516 7.516 7.627 -0.111 19036 7692 1 11 . 1 1 144 144 MET N N 144 119.410 119.410 121.116 -1.706 19036 7693 1 11 . 1 1 144 144 MET HA H 144 4.113 4.113 4.154 -0.041 19036 7694 1 11 . 1 1 144 144 MET CA C 144 58.360 58.360 58.351 0.009 19036 7695 1 11 . 1 1 144 144 MET CB C 144 33.188 33.188 32.517 0.671 19036 7696 1 11 . 1 1 144 144 MET H H 144 7.867 7.867 8.339 -0.472 19036 7697 1 11 . 1 1 145 145 MET N N 145 114.770 114.770 113.832 0.938 19036 7698 1 11 . 1 1 145 145 MET HA H 145 4.263 4.263 4.503 -0.240 19036 7699 1 11 . 1 1 145 145 MET CA C 145 55.607 55.607 56.108 -0.501 19036 7700 1 11 . 1 1 145 145 MET CB C 145 32.224 32.224 31.455 0.769 19036 7701 1 11 . 1 1 145 145 MET H H 145 7.796 7.796 7.643 0.153 19036 7702 1 11 . 1 1 146 146 THR N N 146 111.500 111.500 119.049 -7.549 19036 7703 1 11 . 1 1 146 146 THR HA H 146 4.325 4.325 4.166 0.159 19036 7704 1 11 . 1 1 146 146 THR CA C 146 62.420 62.420 63.204 -0.784 19036 7705 1 11 . 1 1 146 146 THR CB C 146 70.327 70.327 66.831 3.496 19036 7706 1 11 . 1 1 146 146 THR H H 146 7.591 7.591 7.603 -0.012 19036 7707 1 11 . 1 1 147 147 ALA N N 147 127.110 127.110 123.535 3.575 19036 7708 1 11 . 1 1 147 147 ALA HA H 147 4.319 4.319 4.603 -0.284 19036 7709 1 11 . 1 1 147 147 ALA CA C 147 52.991 52.991 50.918 2.073 19036 7710 1 11 . 1 1 147 147 ALA CB C 147 19.162 19.162 20.872 -1.710 19036 7711 1 11 . 1 1 147 147 ALA H H 147 7.827 7.827 7.942 -0.115 19036 7712 1 12 . 1 1 2 2 ASP HA H 2 4.654 4.654 4.704 -0.050 19036 7713 1 12 . 1 1 2 2 ASP CA C 2 54.799 54.799 55.166 -0.367 19036 7714 1 12 . 1 1 2 2 ASP CB C 2 41.496 41.496 40.996 0.500 19036 7715 1 12 . 1 1 3 3 GLN N N 3 119.900 119.900 117.391 2.509 19036 7716 1 12 . 1 1 3 3 GLN HA H 3 4.399 4.399 4.323 0.076 19036 7717 1 12 . 1 1 3 3 GLN CA C 3 55.646 55.646 54.958 0.688 19036 7718 1 12 . 1 1 3 3 GLN CB C 3 29.996 29.996 30.213 -0.217 19036 7719 1 12 . 1 1 3 3 GLN H H 3 8.385 8.385 7.689 0.696 19036 7720 1 12 . 1 1 4 4 LEU N N 4 123.270 123.270 122.595 0.675 19036 7721 1 12 . 1 1 4 4 LEU HA H 4 4.681 4.681 4.566 0.115 19036 7722 1 12 . 1 1 4 4 LEU CA C 4 54.516 54.516 54.802 -0.286 19036 7723 1 12 . 1 1 4 4 LEU CB C 4 43.666 43.666 42.660 1.006 19036 7724 1 12 . 1 1 4 4 LEU H H 4 8.351 8.351 8.441 -0.090 19036 7725 1 12 . 1 1 5 5 THR N N 5 113.150 113.150 112.374 0.776 19036 7726 1 12 . 1 1 5 5 THR HA H 5 4.479 4.479 4.526 -0.047 19036 7727 1 12 . 1 1 5 5 THR CA C 5 60.553 60.553 60.374 0.179 19036 7728 1 12 . 1 1 5 5 THR CB C 5 71.232 71.232 71.606 -0.373 19036 7729 1 12 . 1 1 5 5 THR H H 5 8.764 8.764 7.973 0.791 19036 7730 1 12 . 1 1 6 6 GLU N N 6 120.490 120.490 122.776 -2.286 19036 7731 1 12 . 1 1 6 6 GLU HA H 6 3.994 3.994 3.960 0.034 19036 7732 1 12 . 1 1 6 6 GLU CA C 6 60.091 60.091 59.315 0.776 19036 7733 1 12 . 1 1 6 6 GLU CB C 6 29.307 29.307 29.332 -0.026 19036 7734 1 12 . 1 1 6 6 GLU H H 6 9.066 9.066 8.985 0.081 19036 7735 1 12 . 1 1 7 7 GLU N N 7 119.640 119.640 117.991 1.649 19036 7736 1 12 . 1 1 7 7 GLU HA H 7 4.081 4.081 3.976 0.105 19036 7737 1 12 . 1 1 7 7 GLU CA C 7 60.055 60.055 58.907 1.148 19036 7738 1 12 . 1 1 7 7 GLU CB C 7 29.194 29.194 29.098 0.096 19036 7739 1 12 . 1 1 7 7 GLU H H 7 8.769 8.769 8.589 0.180 19036 7740 1 12 . 1 1 8 8 GLN N N 8 120.420 120.420 117.773 2.647 19036 7741 1 12 . 1 1 8 8 GLN HA H 8 3.857 3.857 3.867 -0.010 19036 7742 1 12 . 1 1 8 8 GLN CA C 8 58.691 58.691 58.349 0.342 19036 7743 1 12 . 1 1 8 8 GLN CB C 8 29.295 29.295 28.305 0.990 19036 7744 1 12 . 1 1 8 8 GLN H H 8 7.779 7.779 7.494 0.285 19036 7745 1 12 . 1 1 9 9 ILE N N 9 119.530 119.530 118.788 0.742 19036 7746 1 12 . 1 1 9 9 ILE HA H 9 3.699 3.699 3.599 0.100 19036 7747 1 12 . 1 1 9 9 ILE CA C 9 66.284 66.284 64.353 1.931 19036 7748 1 12 . 1 1 9 9 ILE CB C 9 37.882 37.882 37.307 0.575 19036 7749 1 12 . 1 1 9 9 ILE H H 9 8.391 8.391 7.399 0.992 19036 7750 1 12 . 1 1 10 10 ALA N N 10 121.270 121.270 121.017 0.253 19036 7751 1 12 . 1 1 10 10 ALA HA H 10 4.140 4.140 4.005 0.135 19036 7752 1 12 . 1 1 10 10 ALA CA C 10 55.569 55.569 55.249 0.320 19036 7753 1 12 . 1 1 10 10 ALA CB C 10 17.977 17.977 17.786 0.191 19036 7754 1 12 . 1 1 10 10 ALA H H 10 8.040 8.040 7.545 0.495 19036 7755 1 12 . 1 1 11 11 GLU N N 11 119.830 119.830 118.317 1.513 19036 7756 1 12 . 1 1 11 11 GLU HA H 11 4.159 4.159 3.982 0.177 19036 7757 1 12 . 1 1 11 11 GLU CA C 11 59.438 59.438 59.200 0.238 19036 7758 1 12 . 1 1 11 11 GLU CB C 11 29.098 29.098 29.346 -0.248 19036 7759 1 12 . 1 1 11 11 GLU H H 11 7.841 7.841 7.536 0.305 19036 7760 1 12 . 1 1 12 12 PHE N N 12 120.250 120.250 116.815 3.435 19036 7761 1 12 . 1 1 12 12 PHE HA H 12 5.033 5.033 4.759 0.274 19036 7762 1 12 . 1 1 12 12 PHE CA C 12 59.113 59.113 57.021 2.092 19036 7763 1 12 . 1 1 12 12 PHE CB C 12 37.727 37.727 38.376 -0.649 19036 7764 1 12 . 1 1 12 12 PHE H H 12 8.641 8.641 7.130 1.511 19036 7765 1 12 . 1 1 13 13 LYS N N 13 123.680 123.680 122.340 1.340 19036 7766 1 12 . 1 1 13 13 LYS HA H 13 4.038 4.038 4.338 -0.300 19036 7767 1 12 . 1 1 13 13 LYS CA C 13 60.228 60.228 60.773 -0.545 19036 7768 1 12 . 1 1 13 13 LYS CB C 13 32.020 32.020 32.238 -0.218 19036 7769 1 12 . 1 1 13 13 LYS H H 13 9.273 9.273 8.274 0.999 19036 7770 1 12 . 1 1 14 14 GLU N N 14 120.480 120.480 118.933 1.547 19036 7771 1 12 . 1 1 14 14 GLU HA H 14 4.150 4.150 4.132 0.018 19036 7772 1 12 . 1 1 14 14 GLU CA C 14 59.283 59.283 59.536 -0.253 19036 7773 1 12 . 1 1 14 14 GLU CB C 14 29.163 29.163 29.649 -0.486 19036 7774 1 12 . 1 1 14 14 GLU H H 14 7.873 7.873 7.798 0.075 19036 7775 1 12 . 1 1 15 15 ALA N N 15 122.590 122.590 121.578 1.012 19036 7776 1 12 . 1 1 15 15 ALA HA H 15 4.285 4.285 4.249 0.036 19036 7777 1 12 . 1 1 15 15 ALA CA C 15 55.370 55.370 54.766 0.604 19036 7778 1 12 . 1 1 15 15 ALA CB C 15 18.190 18.190 18.589 -0.399 19036 7779 1 12 . 1 1 15 15 ALA H H 15 8.045 8.045 7.760 0.285 19036 7780 1 12 . 1 1 16 16 PHE N N 16 119.110 119.110 119.836 -0.726 19036 7781 1 12 . 1 1 16 16 PHE HA H 16 3.314 3.314 3.927 -0.613 19036 7782 1 12 . 1 1 16 16 PHE CA C 16 62.091 62.091 60.980 1.111 19036 7783 1 12 . 1 1 16 16 PHE CB C 16 39.813 39.813 39.169 0.644 19036 7784 1 12 . 1 1 16 16 PHE H H 16 8.804 8.804 8.884 -0.080 19036 7785 1 12 . 1 1 17 17 SER N N 17 113.200 113.200 114.193 -0.993 19036 7786 1 12 . 1 1 17 17 SER HA H 17 4.139 4.139 4.044 0.095 19036 7787 1 12 . 1 1 17 17 SER CA C 17 61.542 61.542 61.634 -0.092 19036 7788 1 12 . 1 1 17 17 SER CB C 17 63.424 63.424 62.989 0.435 19036 7789 1 12 . 1 1 17 17 SER H H 17 8.083 8.083 8.093 -0.010 19036 7790 1 12 . 1 1 18 18 LEU N N 18 120.840 120.840 119.769 1.071 19036 7791 1 12 . 1 1 18 18 LEU HA H 18 3.981 3.981 3.935 0.046 19036 7792 1 12 . 1 1 18 18 LEU CA C 18 57.258 57.258 57.486 -0.228 19036 7793 1 12 . 1 1 18 18 LEU CB C 18 41.565 41.565 41.955 -0.390 19036 7794 1 12 . 1 1 18 18 LEU H H 18 7.436 7.436 7.540 -0.104 19036 7795 1 12 . 1 1 19 19 PHE N N 19 114.020 114.020 114.807 -0.787 19036 7796 1 12 . 1 1 19 19 PHE HA H 19 4.237 4.237 4.101 0.136 19036 7797 1 12 . 1 1 19 19 PHE CA C 19 59.258 59.258 59.916 -0.658 19036 7798 1 12 . 1 1 19 19 PHE CB C 19 41.732 41.732 38.886 2.846 19036 7799 1 12 . 1 1 19 19 PHE H H 19 7.180 7.180 7.379 -0.199 19036 7800 1 12 . 1 1 20 20 ASP N N 20 117.440 117.440 117.914 -0.474 19036 7801 1 12 . 1 1 20 20 ASP HA H 20 4.579 4.579 4.708 -0.129 19036 7802 1 12 . 1 1 20 20 ASP CA C 20 52.295 52.295 52.424 -0.129 19036 7803 1 12 . 1 1 20 20 ASP CB C 20 39.167 39.167 39.279 -0.112 19036 7804 1 12 . 1 1 20 20 ASP H H 20 7.844 7.844 7.336 0.508 19036 7805 1 12 . 1 1 21 21 LYS N N 21 124.410 124.410 124.848 -0.438 19036 7806 1 12 . 1 1 21 21 LYS HA H 21 3.990 3.990 3.928 0.062 19036 7807 1 12 . 1 1 21 21 LYS CA C 21 58.379 58.379 58.864 -0.485 19036 7808 1 12 . 1 1 21 21 LYS CB C 21 32.623 32.623 32.472 0.151 19036 7809 1 12 . 1 1 21 21 LYS H H 21 7.728 7.728 7.884 -0.156 19036 7810 1 12 . 1 1 22 22 ASP N N 22 114.060 114.060 117.372 -3.312 19036 7811 1 12 . 1 1 22 22 ASP HA H 22 4.625 4.625 4.469 0.156 19036 7812 1 12 . 1 1 22 22 ASP CA C 22 52.921 52.921 55.640 -2.719 19036 7813 1 12 . 1 1 22 22 ASP CB C 22 39.728 39.728 40.808 -1.080 19036 7814 1 12 . 1 1 22 22 ASP H H 22 8.095 8.095 8.832 -0.737 19036 7815 1 12 . 1 1 23 23 GLY N N 23 109.390 109.390 107.931 1.459 19036 7816 1 12 . 1 1 23 23 GLY CA C 23 47.250 47.250 45.786 1.464 19036 7817 1 12 . 1 1 23 23 GLY H H 23 7.717 7.717 7.981 -0.264 19036 7818 1 12 . 1 1 24 24 ASP N N 24 120.860 120.860 120.474 0.386 19036 7819 1 12 . 1 1 24 24 ASP HA H 24 4.564 4.564 4.614 -0.050 19036 7820 1 12 . 1 1 24 24 ASP CA C 24 53.918 53.918 52.875 1.043 19036 7821 1 12 . 1 1 24 24 ASP CB C 24 40.569 40.569 40.411 0.158 19036 7822 1 12 . 1 1 24 24 ASP H H 24 8.472 8.472 7.903 0.569 19036 7823 1 12 . 1 1 25 25 GLY N N 25 113.090 113.090 109.067 4.023 19036 7824 1 12 . 1 1 25 25 GLY CA C 25 45.542 45.542 45.639 -0.097 19036 7825 1 12 . 1 1 25 25 GLY H H 25 10.619 10.619 8.206 2.413 19036 7826 1 12 . 1 1 26 26 THR N N 26 112.600 112.600 110.654 1.946 19036 7827 1 12 . 1 1 26 26 THR HA H 26 5.391 5.391 5.069 0.322 19036 7828 1 12 . 1 1 26 26 THR CA C 26 59.883 59.883 59.902 -0.019 19036 7829 1 12 . 1 1 26 26 THR CB C 26 72.786 72.786 72.199 0.587 19036 7830 1 12 . 1 1 26 26 THR H H 26 8.211 8.211 8.653 -0.442 19036 7831 1 12 . 1 1 27 27 ILE N N 27 126.830 126.830 124.438 2.392 19036 7832 1 12 . 1 1 27 27 ILE HA H 27 4.895 4.895 4.759 0.136 19036 7833 1 12 . 1 1 27 27 ILE CA C 27 60.856 60.856 60.216 0.640 19036 7834 1 12 . 1 1 27 27 ILE CB C 27 39.926 39.926 39.649 0.277 19036 7835 1 12 . 1 1 27 27 ILE H H 27 9.876 9.876 8.275 1.601 19036 7836 1 12 . 1 1 28 28 THR N N 28 116.500 116.500 117.718 -1.218 19036 7837 1 12 . 1 1 28 28 THR HA H 28 4.811 4.811 4.964 -0.153 19036 7838 1 12 . 1 1 28 28 THR CA C 28 59.216 59.216 59.652 -0.436 19036 7839 1 12 . 1 1 28 28 THR CB C 28 72.541 72.541 71.274 1.267 19036 7840 1 12 . 1 1 28 28 THR H H 28 8.439 8.439 9.014 -0.575 19036 7841 1 12 . 1 1 29 29 THR N N 29 112.850 112.850 114.915 -2.065 19036 7842 1 12 . 1 1 29 29 THR HA H 29 3.807 3.807 3.863 -0.056 19036 7843 1 12 . 1 1 29 29 THR CA C 29 66.516 66.516 66.559 -0.043 19036 7844 1 12 . 1 1 29 29 THR CB C 29 68.018 68.018 68.485 -0.467 19036 7845 1 12 . 1 1 29 29 THR H H 29 9.238 9.238 8.998 0.240 19036 7846 1 12 . 1 1 30 30 LYS N N 30 121.130 121.130 122.658 -1.528 19036 7847 1 12 . 1 1 30 30 LYS HA H 30 4.170 4.170 3.974 0.196 19036 7848 1 12 . 1 1 30 30 LYS CA C 30 59.377 59.377 59.423 -0.046 19036 7849 1 12 . 1 1 30 30 LYS CB C 30 32.823 32.823 32.145 0.678 19036 7850 1 12 . 1 1 30 30 LYS H H 30 7.688 7.688 8.235 -0.547 19036 7851 1 12 . 1 1 31 31 GLU N N 31 121.920 121.920 119.559 2.361 19036 7852 1 12 . 1 1 31 31 GLU HA H 31 4.062 4.062 4.015 0.047 19036 7853 1 12 . 1 1 31 31 GLU CA C 31 59.579 59.579 59.337 0.242 19036 7854 1 12 . 1 1 31 31 GLU CB C 31 29.837 29.837 29.648 0.189 19036 7855 1 12 . 1 1 31 31 GLU H H 31 7.783 7.783 7.519 0.264 19036 7856 1 12 . 1 1 32 32 LEU N N 32 120.570 120.570 120.643 -0.073 19036 7857 1 12 . 1 1 32 32 LEU HA H 32 4.145 4.145 4.064 0.081 19036 7858 1 12 . 1 1 32 32 LEU CA C 32 58.321 58.321 57.989 0.332 19036 7859 1 12 . 1 1 32 32 LEU CB C 32 42.697 42.697 42.101 0.596 19036 7860 1 12 . 1 1 32 32 LEU H H 32 8.705 8.705 8.026 0.679 19036 7861 1 12 . 1 1 33 33 GLY N N 33 105.720 105.720 105.780 -0.060 19036 7862 1 12 . 1 1 33 33 GLY H H 33 8.753 8.753 8.224 0.529 19036 7863 1 12 . 1 1 34 34 THR N N 34 118.370 118.370 118.837 -0.467 19036 7864 1 12 . 1 1 34 34 THR HA H 34 3.961 3.961 3.981 -0.020 19036 7865 1 12 . 1 1 34 34 THR CA C 34 67.097 67.097 66.601 0.496 19036 7866 1 12 . 1 1 34 34 THR CB C 34 68.869 68.869 68.391 0.478 19036 7867 1 12 . 1 1 34 34 THR H H 34 8.071 8.071 7.819 0.252 19036 7868 1 12 . 1 1 35 35 VAL N N 35 122.170 122.170 121.530 0.640 19036 7869 1 12 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.757 -0.148 19036 7870 1 12 . 1 1 35 35 VAL CA C 35 66.538 66.538 65.219 1.319 19036 7871 1 12 . 1 1 35 35 VAL CB C 35 31.589 31.589 31.612 -0.023 19036 7872 1 12 . 1 1 35 35 VAL H H 35 7.738 7.738 7.567 0.171 19036 7873 1 12 . 1 1 36 36 MET N N 36 118.620 118.620 118.745 -0.125 19036 7874 1 12 . 1 1 36 36 MET HA H 36 4.043 4.043 4.139 -0.096 19036 7875 1 12 . 1 1 36 36 MET CA C 36 59.594 59.594 58.593 1.001 19036 7876 1 12 . 1 1 36 36 MET CB C 36 31.850 31.850 32.553 -0.703 19036 7877 1 12 . 1 1 36 36 MET H H 36 8.559 8.559 8.674 -0.115 19036 7878 1 12 . 1 1 37 37 ARG N N 37 118.920 118.920 118.998 -0.078 19036 7879 1 12 . 1 1 37 37 ARG HA H 37 4.798 4.798 4.159 0.639 19036 7880 1 12 . 1 1 37 37 ARG CA C 37 59.518 59.518 59.307 0.211 19036 7881 1 12 . 1 1 37 37 ARG CB C 37 30.189 30.189 29.943 0.246 19036 7882 1 12 . 1 1 37 37 ARG H H 37 8.638 8.638 8.679 -0.041 19036 7883 1 12 . 1 1 38 38 SER N N 38 119.000 119.000 115.180 3.820 19036 7884 1 12 . 1 1 38 38 SER HA H 38 4.420 4.420 4.222 0.198 19036 7885 1 12 . 1 1 38 38 SER CA C 38 61.682 61.682 60.750 0.932 19036 7886 1 12 . 1 1 38 38 SER CB C 38 62.890 62.890 62.892 -0.002 19036 7887 1 12 . 1 1 38 38 SER H H 38 7.994 7.994 7.565 0.429 19036 7888 1 12 . 1 1 39 39 LEU N N 39 120.790 120.790 121.575 -0.785 19036 7889 1 12 . 1 1 39 39 LEU HA H 39 4.498 4.498 4.278 0.220 19036 7890 1 12 . 1 1 39 39 LEU CA C 39 54.405 54.405 54.912 -0.507 19036 7891 1 12 . 1 1 39 39 LEU CB C 39 41.979 41.979 41.824 0.155 19036 7892 1 12 . 1 1 39 39 LEU H H 39 7.426 7.426 7.394 0.032 19036 7893 1 12 . 1 1 40 40 GLY N N 40 106.830 106.830 105.598 1.232 19036 7894 1 12 . 1 1 40 40 GLY CA C 40 45.713 45.713 45.001 0.712 19036 7895 1 12 . 1 1 40 40 GLY H H 40 7.896 7.896 7.380 0.516 19036 7896 1 12 . 1 1 41 41 GLN N N 41 118.330 118.330 119.309 -0.979 19036 7897 1 12 . 1 1 41 41 GLN HA H 41 4.503 4.503 4.501 0.002 19036 7898 1 12 . 1 1 41 41 GLN CA C 41 54.585 54.585 54.625 -0.040 19036 7899 1 12 . 1 1 41 41 GLN CB C 41 30.591 30.591 31.472 -0.881 19036 7900 1 12 . 1 1 41 41 GLN H H 41 7.865 7.865 7.639 0.226 19036 7901 1 12 . 1 1 42 42 ASN N N 42 116.490 116.490 118.277 -1.787 19036 7902 1 12 . 1 1 42 42 ASN HA H 42 5.214 5.214 5.020 0.194 19036 7903 1 12 . 1 1 42 42 ASN CA C 42 51.351 51.351 51.261 0.090 19036 7904 1 12 . 1 1 42 42 ASN CB C 42 39.402 39.402 37.923 1.479 19036 7905 1 12 . 1 1 42 42 ASN H H 42 8.771 8.771 8.583 0.188 19036 7906 1 12 . 1 1 43 43 PRO HA H 43 4.779 4.779 5.000 -0.221 19036 7907 1 12 . 1 1 43 43 PRO CA C 43 62.475 62.475 62.773 -0.298 19036 7908 1 12 . 1 1 43 43 PRO CB C 43 32.084 32.084 33.496 -1.412 19036 7909 1 12 . 1 1 44 44 THR N N 44 113.050 113.050 113.182 -0.132 19036 7910 1 12 . 1 1 44 44 THR HA H 44 4.487 4.487 4.634 -0.147 19036 7911 1 12 . 1 1 44 44 THR CA C 44 60.565 60.565 60.206 0.359 19036 7912 1 12 . 1 1 44 44 THR CB C 44 71.260 71.260 71.337 -0.077 19036 7913 1 12 . 1 1 44 44 THR H H 44 8.808 8.808 8.145 0.663 19036 7914 1 12 . 1 1 45 45 GLU N N 45 120.700 120.700 121.605 -0.905 19036 7915 1 12 . 1 1 45 45 GLU HA H 45 4.001 4.001 4.092 -0.091 19036 7916 1 12 . 1 1 45 45 GLU CA C 45 60.082 60.082 60.302 -0.220 19036 7917 1 12 . 1 1 45 45 GLU CB C 45 29.129 29.129 28.859 0.270 19036 7918 1 12 . 1 1 45 45 GLU H H 45 8.842 8.842 8.969 -0.127 19036 7919 1 12 . 1 1 46 46 ALA N N 46 120.880 120.880 121.340 -0.460 19036 7920 1 12 . 1 1 46 46 ALA HA H 46 4.125 4.125 4.154 -0.029 19036 7921 1 12 . 1 1 46 46 ALA CA C 46 55.125 55.125 54.882 0.243 19036 7922 1 12 . 1 1 46 46 ALA CB C 46 18.342 18.342 18.071 0.271 19036 7923 1 12 . 1 1 46 46 ALA H H 46 8.305 8.305 8.324 -0.019 19036 7924 1 12 . 1 1 47 47 GLU N N 47 118.780 118.780 119.583 -0.803 19036 7925 1 12 . 1 1 47 47 GLU HA H 47 4.040 4.040 4.062 -0.022 19036 7926 1 12 . 1 1 47 47 GLU CA C 47 59.144 59.144 59.144 -0.000 19036 7927 1 12 . 1 1 47 47 GLU CB C 47 29.886 29.886 29.651 0.235 19036 7928 1 12 . 1 1 47 47 GLU H H 47 7.736 7.736 7.515 0.221 19036 7929 1 12 . 1 1 48 48 LEU N N 48 120.120 120.120 119.544 0.576 19036 7930 1 12 . 1 1 48 48 LEU HA H 48 4.079 4.079 3.940 0.139 19036 7931 1 12 . 1 1 48 48 LEU CA C 48 57.955 57.955 57.847 0.108 19036 7932 1 12 . 1 1 48 48 LEU CB C 48 42.516 42.516 41.853 0.663 19036 7933 1 12 . 1 1 48 48 LEU H H 48 8.169 8.169 7.964 0.205 19036 7934 1 12 . 1 1 49 49 GLN N N 49 118.390 118.390 119.200 -0.810 19036 7935 1 12 . 1 1 49 49 GLN HA H 49 3.849 3.849 3.928 -0.079 19036 7936 1 12 . 1 1 49 49 GLN CA C 49 58.676 58.676 59.076 -0.400 19036 7937 1 12 . 1 1 49 49 GLN CB C 49 28.341 28.341 28.153 0.188 19036 7938 1 12 . 1 1 49 49 GLN H H 49 8.235 8.235 8.356 -0.121 19036 7939 1 12 . 1 1 50 50 ASP N N 50 120.090 120.090 120.242 -0.152 19036 7940 1 12 . 1 1 50 50 ASP HA H 50 4.439 4.439 4.374 0.065 19036 7941 1 12 . 1 1 50 50 ASP CA C 50 57.643 57.643 56.923 0.720 19036 7942 1 12 . 1 1 50 50 ASP CB C 50 40.366 40.366 40.694 -0.328 19036 7943 1 12 . 1 1 50 50 ASP H H 50 8.164 8.164 7.814 0.350 19036 7944 1 12 . 1 1 51 51 MET N N 51 119.330 119.330 118.912 0.418 19036 7945 1 12 . 1 1 51 51 MET HA H 51 4.021 4.021 4.069 -0.048 19036 7946 1 12 . 1 1 51 51 MET CA C 51 59.332 59.332 59.535 -0.203 19036 7947 1 12 . 1 1 51 51 MET CB C 51 33.713 33.713 33.082 0.631 19036 7948 1 12 . 1 1 51 51 MET H H 51 7.909 7.909 7.522 0.387 19036 7949 1 12 . 1 1 52 52 ILE N N 52 118.080 118.080 116.845 1.235 19036 7950 1 12 . 1 1 52 52 ILE HA H 52 3.581 3.581 3.683 -0.102 19036 7951 1 12 . 1 1 52 52 ILE CA C 52 64.476 64.476 64.503 -0.027 19036 7952 1 12 . 1 1 52 52 ILE CB C 52 37.177 37.177 37.432 -0.255 19036 7953 1 12 . 1 1 52 52 ILE H H 52 7.767 7.767 7.782 -0.015 19036 7954 1 12 . 1 1 53 53 ASN N N 53 117.980 117.980 119.157 -1.177 19036 7955 1 12 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.457 -0.040 19036 7956 1 12 . 1 1 53 53 ASN CA C 53 55.988 55.988 56.115 -0.127 19036 7957 1 12 . 1 1 53 53 ASN CB C 53 38.211 38.211 38.106 0.105 19036 7958 1 12 . 1 1 53 53 ASN H H 53 8.669 8.669 8.539 0.130 19036 7959 1 12 . 1 1 54 54 GLU N N 54 116.350 116.350 118.429 -2.079 19036 7960 1 12 . 1 1 54 54 GLU HA H 54 4.066 4.066 4.136 -0.070 19036 7961 1 12 . 1 1 54 54 GLU CA C 54 58.930 58.930 58.794 0.136 19036 7962 1 12 . 1 1 54 54 GLU CB C 54 30.404 30.404 29.961 0.443 19036 7963 1 12 . 1 1 54 54 GLU H H 54 7.566 7.566 7.864 -0.298 19036 7964 1 12 . 1 1 55 55 VAL N N 55 110.520 110.520 116.112 -5.592 19036 7965 1 12 . 1 1 55 55 VAL HA H 55 4.366 4.366 4.240 0.126 19036 7966 1 12 . 1 1 55 55 VAL CA C 55 61.089 61.089 60.733 0.356 19036 7967 1 12 . 1 1 55 55 VAL CB C 55 33.088 33.088 33.298 -0.210 19036 7968 1 12 . 1 1 55 55 VAL H H 55 7.242 7.242 7.352 -0.110 19036 7969 1 12 . 1 1 56 56 ASP N N 56 121.390 121.390 120.980 0.410 19036 7970 1 12 . 1 1 56 56 ASP HA H 56 4.582 4.582 4.705 -0.123 19036 7971 1 12 . 1 1 56 56 ASP CA C 56 53.916 53.916 53.177 0.739 19036 7972 1 12 . 1 1 56 56 ASP CB C 56 40.588 40.588 40.360 0.228 19036 7973 1 12 . 1 1 56 56 ASP H H 56 7.749 7.749 7.527 0.222 19036 7974 1 12 . 1 1 57 57 ALA N N 57 131.640 131.640 129.949 1.691 19036 7975 1 12 . 1 1 57 57 ALA HA H 57 4.247 4.247 4.241 0.006 19036 7976 1 12 . 1 1 57 57 ALA CA C 57 54.341 54.341 53.455 0.887 19036 7977 1 12 . 1 1 57 57 ALA CB C 57 19.800 19.800 20.002 -0.202 19036 7978 1 12 . 1 1 57 57 ALA H H 57 8.323 8.323 8.250 0.073 19036 7979 1 12 . 1 1 58 58 ASP N N 58 114.000 114.000 116.446 -2.446 19036 7980 1 12 . 1 1 58 58 ASP HA H 58 4.682 4.682 4.635 0.047 19036 7981 1 12 . 1 1 58 58 ASP CA C 58 52.705 52.705 53.200 -0.495 19036 7982 1 12 . 1 1 58 58 ASP CB C 58 39.931 39.931 40.690 -0.759 19036 7983 1 12 . 1 1 58 58 ASP H H 58 8.240 8.240 7.990 0.250 19036 7984 1 12 . 1 1 59 59 GLY N N 59 108.660 108.660 108.672 -0.012 19036 7985 1 12 . 1 1 59 59 GLY CA C 59 47.306 47.306 46.044 1.262 19036 7986 1 12 . 1 1 59 59 GLY H H 59 7.635 7.635 8.690 -1.055 19036 7987 1 12 . 1 1 60 60 ASN N N 60 118.730 118.730 119.422 -0.692 19036 7988 1 12 . 1 1 60 60 ASN HA H 60 4.658 4.658 4.723 -0.065 19036 7989 1 12 . 1 1 60 60 ASN CA C 60 52.805 52.805 52.022 0.783 19036 7990 1 12 . 1 1 60 60 ASN CB C 60 37.716 37.716 38.642 -0.926 19036 7991 1 12 . 1 1 60 60 ASN H H 60 8.184 8.184 9.040 -0.856 19036 7992 1 12 . 1 1 61 61 GLY N N 61 113.430 113.430 109.140 4.290 19036 7993 1 12 . 1 1 61 61 GLY CA C 61 45.753 45.753 46.118 -0.365 19036 7994 1 12 . 1 1 61 61 GLY H H 61 10.605 10.605 8.635 1.970 19036 7995 1 12 . 1 1 62 62 THR N N 62 108.750 108.750 109.473 -0.723 19036 7996 1 12 . 1 1 62 62 THR HA H 62 4.874 4.874 4.917 -0.043 19036 7997 1 12 . 1 1 62 62 THR CA C 62 59.541 59.541 59.639 -0.097 19036 7998 1 12 . 1 1 62 62 THR CB C 62 72.168 72.168 72.648 -0.480 19036 7999 1 12 . 1 1 62 62 THR H H 62 7.699 7.699 8.314 -0.615 19036 8000 1 12 . 1 1 63 63 ILE N N 63 123.510 123.510 123.210 0.300 19036 8001 1 12 . 1 1 63 63 ILE HA H 63 5.160 5.160 4.738 0.422 19036 8002 1 12 . 1 1 63 63 ILE CA C 63 59.959 59.959 60.444 -0.485 19036 8003 1 12 . 1 1 63 63 ILE CB C 63 39.836 39.836 39.718 0.118 19036 8004 1 12 . 1 1 63 63 ILE H H 63 8.823 8.823 8.066 0.757 19036 8005 1 12 . 1 1 64 64 ASP N N 64 128.370 128.370 127.553 0.817 19036 8006 1 12 . 1 1 64 64 ASP HA H 64 5.463 5.463 5.146 0.317 19036 8007 1 12 . 1 1 64 64 ASP CA C 64 52.257 52.257 52.657 -0.400 19036 8008 1 12 . 1 1 64 64 ASP CB C 64 42.416 42.416 42.562 -0.146 19036 8009 1 12 . 1 1 64 64 ASP H H 64 8.946 8.946 8.117 0.829 19036 8010 1 12 . 1 1 65 65 PHE N N 65 118.870 118.870 122.373 -3.503 19036 8011 1 12 . 1 1 65 65 PHE HA H 65 4.028 4.028 4.072 -0.044 19036 8012 1 12 . 1 1 65 65 PHE CA C 65 63.404 63.404 63.492 -0.088 19036 8013 1 12 . 1 1 65 65 PHE CB C 65 36.123 36.123 36.471 -0.348 19036 8014 1 12 . 1 1 65 65 PHE H H 65 9.000 9.000 9.225 -0.225 19036 8015 1 12 . 1 1 66 66 PRO HA H 66 3.918 3.918 4.228 -0.310 19036 8016 1 12 . 1 1 66 66 PRO CA C 66 66.799 66.799 66.431 0.368 19036 8017 1 12 . 1 1 66 66 PRO CB C 66 30.789 30.789 31.305 -0.516 19036 8018 1 12 . 1 1 67 67 GLU N N 67 117.930 117.930 119.070 -1.140 19036 8019 1 12 . 1 1 67 67 GLU HA H 67 4.088 4.088 4.056 0.032 19036 8020 1 12 . 1 1 67 67 GLU CA C 67 58.965 58.965 59.544 -0.579 19036 8021 1 12 . 1 1 67 67 GLU CB C 67 29.677 29.677 29.305 0.372 19036 8022 1 12 . 1 1 67 67 GLU H H 67 8.185 8.185 7.721 0.464 19036 8023 1 12 . 1 1 68 68 PHE N N 68 123.830 123.830 121.622 2.208 19036 8024 1 12 . 1 1 68 68 PHE HA H 68 3.957 3.957 4.266 -0.309 19036 8025 1 12 . 1 1 68 68 PHE CA C 68 61.439 61.439 60.858 0.581 19036 8026 1 12 . 1 1 68 68 PHE CB C 68 40.429 40.429 39.292 1.137 19036 8027 1 12 . 1 1 68 68 PHE H H 68 8.794 8.794 8.565 0.229 19036 8028 1 12 . 1 1 69 69 LEU N N 69 119.410 119.410 119.612 -0.202 19036 8029 1 12 . 1 1 69 69 LEU HA H 69 3.394 3.394 3.695 -0.301 19036 8030 1 12 . 1 1 69 69 LEU CA C 69 58.042 58.042 58.192 -0.150 19036 8031 1 12 . 1 1 69 69 LEU CB C 69 41.246 41.246 41.563 -0.317 19036 8032 1 12 . 1 1 69 69 LEU H H 69 8.662 8.662 9.022 -0.360 19036 8033 1 12 . 1 1 70 70 THR N N 70 115.700 115.700 115.605 0.095 19036 8034 1 12 . 1 1 70 70 THR HA H 70 3.783 3.783 3.869 -0.086 19036 8035 1 12 . 1 1 70 70 THR CA C 70 66.623 66.623 67.255 -0.632 19036 8036 1 12 . 1 1 70 70 THR CB C 70 68.592 68.592 68.526 0.066 19036 8037 1 12 . 1 1 70 70 THR H H 70 7.744 7.744 8.008 -0.264 19036 8038 1 12 . 1 1 71 71 MET N N 71 121.350 121.350 121.696 -0.346 19036 8039 1 12 . 1 1 71 71 MET HA H 71 3.889 3.889 3.852 0.037 19036 8040 1 12 . 1 1 71 71 MET CA C 71 58.859 58.859 59.430 -0.571 19036 8041 1 12 . 1 1 71 71 MET CB C 71 32.676 32.676 32.547 0.129 19036 8042 1 12 . 1 1 71 71 MET H H 71 7.622 7.622 7.458 0.164 19036 8043 1 12 . 1 1 72 72 MET N N 72 117.390 117.390 116.198 1.192 19036 8044 1 12 . 1 1 72 72 MET HA H 72 3.973 3.973 3.974 -0.001 19036 8045 1 12 . 1 1 72 72 MET CA C 72 56.030 56.030 57.224 -1.194 19036 8046 1 12 . 1 1 72 72 MET CB C 72 30.934 30.934 31.196 -0.262 19036 8047 1 12 . 1 1 72 72 MET H H 72 8.066 8.066 7.666 0.400 19036 8048 1 12 . 1 1 73 73 ALA N N 73 121.670 121.670 121.236 0.434 19036 8049 1 12 . 1 1 73 73 ALA HA H 73 4.103 4.103 4.127 -0.024 19036 8050 1 12 . 1 1 73 73 ALA CA C 73 54.517 54.517 54.223 0.294 19036 8051 1 12 . 1 1 73 73 ALA CB C 73 18.381 18.381 18.276 0.104 19036 8052 1 12 . 1 1 73 73 ALA H H 73 8.276 8.276 7.878 0.398 19036 8053 1 12 . 1 1 74 74 ARG N N 74 117.220 117.220 118.826 -1.606 19036 8054 1 12 . 1 1 74 74 ARG HA H 74 4.113 4.113 3.936 0.177 19036 8055 1 12 . 1 1 74 74 ARG CA C 74 58.327 58.327 59.063 -0.736 19036 8056 1 12 . 1 1 74 74 ARG CB C 74 30.378 30.378 29.835 0.543 19036 8057 1 12 . 1 1 74 74 ARG H H 74 7.539 7.539 7.995 -0.456 19036 8058 1 12 . 1 1 75 75 LYS N N 75 119.120 119.120 119.781 -0.661 19036 8059 1 12 . 1 1 75 75 LYS HA H 75 4.261 4.261 4.014 0.247 19036 8060 1 12 . 1 1 75 75 LYS CA C 75 56.990 56.990 58.980 -1.990 19036 8061 1 12 . 1 1 75 75 LYS CB C 75 32.412 32.412 31.987 0.425 19036 8062 1 12 . 1 1 75 75 LYS H H 75 7.833 7.833 7.306 0.527 19036 8063 1 12 . 1 1 76 76 MET N N 76 118.860 118.860 116.912 1.948 19036 8064 1 12 . 1 1 76 76 MET HA H 76 4.370 4.370 4.215 0.155 19036 8065 1 12 . 1 1 76 76 MET CA C 76 56.700 56.700 57.959 -1.259 19036 8066 1 12 . 1 1 76 76 MET CB C 76 32.981 32.981 32.574 0.407 19036 8067 1 12 . 1 1 76 76 MET H H 76 8.000 8.000 7.677 0.323 19036 8068 1 12 . 1 1 77 77 LYS N N 77 120.200 120.200 116.597 3.603 19036 8069 1 12 . 1 1 77 77 LYS HA H 77 4.352 4.352 4.230 0.122 19036 8070 1 12 . 1 1 77 77 LYS CA C 77 56.709 56.709 56.210 0.499 19036 8071 1 12 . 1 1 77 77 LYS CB C 77 33.138 33.138 32.572 0.566 19036 8072 1 12 . 1 1 77 77 LYS H H 77 7.866 7.866 7.682 0.184 19036 8073 1 12 . 1 1 78 78 ASP N N 78 121.430 121.430 117.131 4.299 19036 8074 1 12 . 1 1 78 78 ASP HA H 78 4.691 4.691 4.398 0.293 19036 8075 1 12 . 1 1 78 78 ASP CA C 78 54.771 54.771 55.131 -0.360 19036 8076 1 12 . 1 1 78 78 ASP CB C 78 41.222 41.222 40.081 1.141 19036 8077 1 12 . 1 1 78 78 ASP H H 78 8.250 8.250 8.034 0.216 19036 8078 1 12 . 1 1 79 79 THR N N 79 114.390 114.390 113.602 0.788 19036 8079 1 12 . 1 1 79 79 THR HA H 79 4.337 4.337 4.325 0.012 19036 8080 1 12 . 1 1 79 79 THR CA C 79 62.349 62.349 63.151 -0.802 19036 8081 1 12 . 1 1 79 79 THR CB C 79 69.875 69.875 68.942 0.933 19036 8082 1 12 . 1 1 79 79 THR H H 79 8.093 8.093 8.078 0.015 19036 8083 1 12 . 1 1 80 80 ASP N N 80 123.460 123.460 122.042 1.418 19036 8084 1 12 . 1 1 80 80 ASP HA H 80 4.721 4.721 4.661 0.060 19036 8085 1 12 . 1 1 80 80 ASP CA C 80 54.655 54.655 55.528 -0.873 19036 8086 1 12 . 1 1 80 80 ASP CB C 80 41.416 41.416 40.606 0.810 19036 8087 1 12 . 1 1 80 80 ASP H H 80 8.455 8.455 8.534 -0.079 19036 8088 1 12 . 1 1 81 81 SER N N 81 117.440 117.440 115.859 1.581 19036 8089 1 12 . 1 1 81 81 SER HA H 81 4.455 4.455 4.079 0.376 19036 8090 1 12 . 1 1 81 81 SER CA C 81 59.571 59.571 62.224 -2.653 19036 8091 1 12 . 1 1 81 81 SER CB C 81 63.825 63.825 62.995 0.830 19036 8092 1 12 . 1 1 81 81 SER H H 81 8.505 8.505 8.677 -0.172 19036 8093 1 12 . 1 1 82 82 GLU N N 82 122.380 122.380 121.032 1.348 19036 8094 1 12 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.002 0.183 19036 8095 1 12 . 1 1 82 82 GLU CA C 82 58.800 58.800 59.587 -0.787 19036 8096 1 12 . 1 1 82 82 GLU CB C 82 29.660 29.660 29.239 0.421 19036 8097 1 12 . 1 1 82 82 GLU H H 82 8.508 8.508 8.125 0.383 19036 8098 1 12 . 1 1 83 83 GLU N N 83 119.670 119.670 119.321 0.349 19036 8099 1 12 . 1 1 83 83 GLU HA H 83 4.085 4.085 4.071 0.014 19036 8100 1 12 . 1 1 83 83 GLU CA C 83 59.576 59.576 59.299 0.277 19036 8101 1 12 . 1 1 83 83 GLU CB C 83 29.410 29.410 29.512 -0.103 19036 8102 1 12 . 1 1 83 83 GLU H H 83 8.297 8.297 7.991 0.306 19036 8103 1 12 . 1 1 84 84 GLU N N 84 118.700 118.700 119.317 -0.617 19036 8104 1 12 . 1 1 84 84 GLU HA H 84 4.135 4.135 4.200 -0.065 19036 8105 1 12 . 1 1 84 84 GLU CA C 84 59.523 59.523 58.659 0.864 19036 8106 1 12 . 1 1 84 84 GLU CB C 84 29.607 29.607 29.361 0.246 19036 8107 1 12 . 1 1 84 84 GLU H H 84 8.218 8.218 7.877 0.341 19036 8108 1 12 . 1 1 85 85 ILE N N 85 121.500 121.500 120.605 0.895 19036 8109 1 12 . 1 1 85 85 ILE HA H 85 3.981 3.981 3.788 0.194 19036 8110 1 12 . 1 1 85 85 ILE CA C 85 64.941 64.941 65.760 -0.819 19036 8111 1 12 . 1 1 85 85 ILE CB C 85 37.484 37.484 37.798 -0.314 19036 8112 1 12 . 1 1 85 85 ILE H H 85 7.980 7.980 8.554 -0.574 19036 8113 1 12 . 1 1 86 86 ARG N N 86 121.710 121.710 118.483 3.227 19036 8114 1 12 . 1 1 86 86 ARG HA H 86 4.186 4.186 4.386 -0.200 19036 8115 1 12 . 1 1 86 86 ARG CA C 86 60.202 60.202 59.545 0.657 19036 8116 1 12 . 1 1 86 86 ARG CB C 86 30.026 30.026 30.138 -0.112 19036 8117 1 12 . 1 1 86 86 ARG H H 86 8.471 8.471 7.802 0.669 19036 8118 1 12 . 1 1 87 87 GLU N N 87 118.710 118.710 120.881 -2.171 19036 8119 1 12 . 1 1 87 87 GLU HA H 87 4.179 4.179 4.240 -0.061 19036 8120 1 12 . 1 1 87 87 GLU CA C 87 58.995 58.995 58.936 0.059 19036 8121 1 12 . 1 1 87 87 GLU CB C 87 29.201 29.201 29.286 -0.085 19036 8122 1 12 . 1 1 87 87 GLU H H 87 8.211 8.211 7.818 0.393 19036 8123 1 12 . 1 1 88 88 ALA N N 88 121.910 121.910 122.030 -0.120 19036 8124 1 12 . 1 1 88 88 ALA HA H 88 4.180 4.180 4.217 -0.037 19036 8125 1 12 . 1 1 88 88 ALA CA C 88 55.275 55.275 55.008 0.268 19036 8126 1 12 . 1 1 88 88 ALA CB C 88 17.936 17.936 18.225 -0.289 19036 8127 1 12 . 1 1 88 88 ALA H H 88 8.037 8.037 8.356 -0.319 19036 8128 1 12 . 1 1 89 89 PHE N N 89 118.790 118.790 119.730 -0.940 19036 8129 1 12 . 1 1 89 89 PHE HA H 89 3.188 3.188 3.610 -0.422 19036 8130 1 12 . 1 1 89 89 PHE CA C 89 62.283 62.283 61.180 1.103 19036 8131 1 12 . 1 1 89 89 PHE CB C 89 39.238 39.238 38.941 0.296 19036 8132 1 12 . 1 1 89 89 PHE H H 89 8.623 8.623 7.895 0.728 19036 8133 1 12 . 1 1 90 90 ARG N N 90 115.890 115.890 119.250 -3.360 19036 8134 1 12 . 1 1 90 90 ARG HA H 90 3.906 3.906 4.123 -0.217 19036 8135 1 12 . 1 1 90 90 ARG CA C 90 58.950 58.950 59.739 -0.789 19036 8136 1 12 . 1 1 90 90 ARG CB C 90 30.414 30.414 30.230 0.184 19036 8137 1 12 . 1 1 90 90 ARG H H 90 7.775 7.775 8.081 -0.306 19036 8138 1 12 . 1 1 91 91 VAL N N 91 118.320 118.320 116.681 1.639 19036 8139 1 12 . 1 1 91 91 VAL HA H 91 3.515 3.515 3.765 -0.250 19036 8140 1 12 . 1 1 91 91 VAL CA C 91 65.726 65.726 64.832 0.894 19036 8141 1 12 . 1 1 91 91 VAL CB C 91 31.579 31.579 31.570 0.009 19036 8142 1 12 . 1 1 91 91 VAL H H 91 7.538 7.538 7.336 0.202 19036 8143 1 12 . 1 1 92 92 PHE N N 92 115.750 115.750 115.982 -0.232 19036 8144 1 12 . 1 1 92 92 PHE HA H 92 4.247 4.247 4.188 0.059 19036 8145 1 12 . 1 1 92 92 PHE CA C 92 60.241 60.241 60.405 -0.164 19036 8146 1 12 . 1 1 92 92 PHE CB C 92 40.951 40.951 39.272 1.679 19036 8147 1 12 . 1 1 92 92 PHE H H 92 7.381 7.381 7.801 -0.420 19036 8148 1 12 . 1 1 93 93 ASP N N 93 116.590 116.590 118.400 -1.810 19036 8149 1 12 . 1 1 93 93 ASP HA H 93 4.590 4.590 4.821 -0.231 19036 8150 1 12 . 1 1 93 93 ASP CA C 93 52.466 52.466 52.744 -0.278 19036 8151 1 12 . 1 1 93 93 ASP CB C 93 38.478 38.478 39.631 -1.153 19036 8152 1 12 . 1 1 93 93 ASP H H 93 7.900 7.900 7.925 -0.025 19036 8153 1 12 . 1 1 94 94 LYS N N 94 126.160 126.160 124.603 1.557 19036 8154 1 12 . 1 1 94 94 LYS HA H 94 3.945 3.945 4.012 -0.067 19036 8155 1 12 . 1 1 94 94 LYS CA C 94 59.072 59.072 58.438 0.634 19036 8156 1 12 . 1 1 94 94 LYS CB C 94 32.589 32.589 32.575 0.014 19036 8157 1 12 . 1 1 94 94 LYS H H 94 7.790 7.790 7.859 -0.069 19036 8158 1 12 . 1 1 95 95 ASP N N 95 114.060 114.060 117.663 -3.603 19036 8159 1 12 . 1 1 95 95 ASP HA H 95 4.579 4.579 4.524 0.055 19036 8160 1 12 . 1 1 95 95 ASP CA C 95 53.120 53.120 55.888 -2.768 19036 8161 1 12 . 1 1 95 95 ASP CB C 95 40.043 40.043 41.135 -1.092 19036 8162 1 12 . 1 1 95 95 ASP H H 95 8.237 8.237 9.157 -0.920 19036 8163 1 12 . 1 1 96 96 GLY N N 96 109.410 109.410 106.795 2.615 19036 8164 1 12 . 1 1 96 96 GLY CA C 96 47.263 47.263 46.115 1.148 19036 8165 1 12 . 1 1 96 96 GLY H H 96 7.839 7.839 8.676 -0.837 19036 8166 1 12 . 1 1 97 97 ASN N N 97 119.630 119.630 120.202 -0.572 19036 8167 1 12 . 1 1 97 97 ASN HA H 97 4.659 4.659 4.629 0.030 19036 8168 1 12 . 1 1 97 97 ASN CA C 97 52.681 52.681 52.808 -0.127 19036 8169 1 12 . 1 1 97 97 ASN CB C 97 38.311 38.311 38.660 -0.349 19036 8170 1 12 . 1 1 97 97 ASN H H 97 8.377 8.377 8.110 0.267 19036 8171 1 12 . 1 1 98 98 GLY N N 98 112.970 112.970 107.885 5.085 19036 8172 1 12 . 1 1 98 98 GLY CA C 98 45.183 45.183 45.395 -0.212 19036 8173 1 12 . 1 1 98 98 GLY H H 98 10.687 10.687 8.863 1.824 19036 8174 1 12 . 1 1 99 99 TYR N N 99 116.080 116.080 117.432 -1.352 19036 8175 1 12 . 1 1 99 99 TYR HA H 99 5.065 5.065 5.280 -0.215 19036 8176 1 12 . 1 1 99 99 TYR CA C 99 56.198 56.198 56.704 -0.506 19036 8177 1 12 . 1 1 99 99 TYR CB C 99 43.110 43.110 41.986 1.125 19036 8178 1 12 . 1 1 99 99 TYR H H 99 7.671 7.671 7.951 -0.280 19036 8179 1 12 . 1 1 100 100 ILE N N 100 127.320 127.320 123.675 3.645 19036 8180 1 12 . 1 1 100 100 ILE HA H 100 4.780 4.780 4.547 0.233 19036 8181 1 12 . 1 1 100 100 ILE CA C 100 60.731 60.731 59.657 1.073 19036 8182 1 12 . 1 1 100 100 ILE CB C 100 39.050 39.050 39.336 -0.286 19036 8183 1 12 . 1 1 100 100 ILE H H 100 10.163 10.163 8.249 1.914 19036 8184 1 12 . 1 1 101 101 SER N N 101 123.810 123.810 123.120 0.690 19036 8185 1 12 . 1 1 101 101 SER HA H 101 4.898 4.898 4.877 0.021 19036 8186 1 12 . 1 1 101 101 SER CA C 101 55.840 55.840 56.300 -0.460 19036 8187 1 12 . 1 1 101 101 SER CB C 101 66.799 66.799 66.479 0.320 19036 8188 1 12 . 1 1 101 101 SER H H 101 8.970 8.970 8.119 0.851 19036 8189 1 12 . 1 1 102 102 ALA N N 102 123.130 123.130 124.362 -1.232 19036 8190 1 12 . 1 1 102 102 ALA HA H 102 3.927 3.927 3.989 -0.062 19036 8191 1 12 . 1 1 102 102 ALA CA C 102 56.023 56.023 55.154 0.869 19036 8192 1 12 . 1 1 102 102 ALA CB C 102 18.139 18.139 18.072 0.067 19036 8193 1 12 . 1 1 102 102 ALA H H 102 9.269 9.269 8.866 0.403 19036 8194 1 12 . 1 1 103 103 ALA N N 103 118.460 118.460 120.700 -2.240 19036 8195 1 12 . 1 1 103 103 ALA HA H 103 4.058 4.058 4.114 -0.056 19036 8196 1 12 . 1 1 103 103 ALA CA C 103 55.250 55.250 54.775 0.475 19036 8197 1 12 . 1 1 103 103 ALA CB C 103 18.492 18.492 18.138 0.354 19036 8198 1 12 . 1 1 103 103 ALA H H 103 8.294 8.294 8.434 -0.140 19036 8199 1 12 . 1 1 104 104 GLU N N 104 120.070 120.070 119.215 0.855 19036 8200 1 12 . 1 1 104 104 GLU HA H 104 4.073 4.073 4.040 0.033 19036 8201 1 12 . 1 1 104 104 GLU CA C 104 59.567 59.567 59.318 0.249 19036 8202 1 12 . 1 1 104 104 GLU CB C 104 29.262 29.262 29.562 -0.300 19036 8203 1 12 . 1 1 104 104 GLU H H 104 7.939 7.939 7.694 0.245 19036 8204 1 12 . 1 1 105 105 LEU N N 105 120.990 120.990 120.012 0.978 19036 8205 1 12 . 1 1 105 105 LEU HA H 105 4.133 4.133 4.105 0.028 19036 8206 1 12 . 1 1 105 105 LEU CA C 105 58.618 58.618 58.508 0.110 19036 8207 1 12 . 1 1 105 105 LEU CB C 105 42.210 42.210 41.984 0.225 19036 8208 1 12 . 1 1 105 105 LEU H H 105 8.534 8.534 7.668 0.866 19036 8209 1 12 . 1 1 106 106 ARG N N 106 117.580 117.580 118.878 -1.298 19036 8210 1 12 . 1 1 106 106 ARG HA H 106 3.832 3.832 3.949 -0.117 19036 8211 1 12 . 1 1 106 106 ARG CA C 106 60.041 60.041 59.506 0.535 19036 8212 1 12 . 1 1 106 106 ARG CB C 106 30.648 30.648 30.072 0.576 19036 8213 1 12 . 1 1 106 106 ARG H H 106 8.667 8.667 7.807 0.860 19036 8214 1 12 . 1 1 107 107 HIS N N 107 118.880 118.880 119.043 -0.163 19036 8215 1 12 . 1 1 107 107 HIS HA H 107 4.338 4.338 4.344 -0.006 19036 8216 1 12 . 1 1 107 107 HIS CA C 107 59.771 59.771 58.811 0.960 19036 8217 1 12 . 1 1 107 107 HIS CB C 107 30.491 30.491 29.610 0.881 19036 8218 1 12 . 1 1 107 107 HIS H H 107 8.071 8.071 7.815 0.256 19036 8219 1 12 . 1 1 108 108 VAL N N 108 119.170 119.170 119.205 -0.035 19036 8220 1 12 . 1 1 108 108 VAL HA H 108 3.556 3.556 3.419 0.137 19036 8221 1 12 . 1 1 108 108 VAL CA C 108 66.580 66.580 66.500 0.080 19036 8222 1 12 . 1 1 108 108 VAL CB C 108 31.920 31.920 31.445 0.475 19036 8223 1 12 . 1 1 108 108 VAL H H 108 8.107 8.107 7.650 0.457 19036 8224 1 12 . 1 1 109 109 MET N N 109 116.290 116.290 117.484 -1.194 19036 8225 1 12 . 1 1 109 109 MET HA H 109 4.326 4.326 4.074 0.252 19036 8226 1 12 . 1 1 109 109 MET CA C 109 57.824 57.824 59.504 -1.680 19036 8227 1 12 . 1 1 109 109 MET CB C 109 31.052 31.052 32.389 -1.337 19036 8228 1 12 . 1 1 109 109 MET H H 109 8.280 8.280 8.069 0.211 19036 8229 1 12 . 1 1 110 110 THR N N 110 115.190 115.190 116.129 -0.939 19036 8230 1 12 . 1 1 110 110 THR HA H 110 4.166 4.166 4.260 -0.094 19036 8231 1 12 . 1 1 110 110 THR CA C 110 66.182 66.182 66.595 -0.413 19036 8232 1 12 . 1 1 110 110 THR CB C 110 68.951 68.951 68.606 0.344 19036 8233 1 12 . 1 1 110 110 THR H H 110 8.244 8.244 7.931 0.313 19036 8234 1 12 . 1 1 111 111 ASN N N 111 122.310 122.310 120.146 2.164 19036 8235 1 12 . 1 1 111 111 ASN HA H 111 4.502 4.502 4.552 -0.050 19036 8236 1 12 . 1 1 111 111 ASN CA C 111 55.931 55.931 55.409 0.522 19036 8237 1 12 . 1 1 111 111 ASN CB C 111 38.585 38.585 38.018 0.567 19036 8238 1 12 . 1 1 111 111 ASN H H 111 7.904 7.904 7.923 -0.019 19036 8239 1 12 . 1 1 112 112 LEU N N 112 118.850 118.850 118.445 0.405 19036 8240 1 12 . 1 1 112 112 LEU HA H 112 4.354 4.354 4.469 -0.115 19036 8241 1 12 . 1 1 112 112 LEU CA C 112 55.274 55.274 54.681 0.593 19036 8242 1 12 . 1 1 112 112 LEU CB C 112 42.218 42.218 41.565 0.653 19036 8243 1 12 . 1 1 112 112 LEU H H 112 7.873 7.873 7.302 0.571 19036 8244 1 12 . 1 1 113 113 GLY N N 113 106.700 106.700 107.290 -0.590 19036 8245 1 12 . 1 1 113 113 GLY CA C 113 45.596 45.596 45.267 0.329 19036 8246 1 12 . 1 1 113 113 GLY H H 113 7.844 7.844 7.731 0.113 19036 8247 1 12 . 1 1 114 114 GLU N N 114 120.140 120.140 121.458 -1.318 19036 8248 1 12 . 1 1 114 114 GLU HA H 114 4.459 4.459 4.605 -0.146 19036 8249 1 12 . 1 1 114 114 GLU CA C 114 55.046 55.046 55.082 -0.036 19036 8250 1 12 . 1 1 114 114 GLU CB C 114 30.469 30.469 31.884 -1.415 19036 8251 1 12 . 1 1 114 114 GLU H H 114 7.946 7.946 7.727 0.219 19036 8252 1 12 . 1 1 115 115 LYS N N 115 124.130 124.130 123.811 0.319 19036 8253 1 12 . 1 1 115 115 LYS HA H 115 4.394 4.394 4.578 -0.184 19036 8254 1 12 . 1 1 115 115 LYS CA C 115 55.794 55.794 56.261 -0.468 19036 8255 1 12 . 1 1 115 115 LYS CB C 115 32.191 32.191 33.526 -1.335 19036 8256 1 12 . 1 1 115 115 LYS H H 115 8.646 8.646 8.511 0.135 19036 8257 1 12 . 1 1 116 116 LEU N N 116 124.840 124.840 126.105 -1.265 19036 8258 1 12 . 1 1 116 116 LEU HA H 116 4.793 4.793 4.868 -0.075 19036 8259 1 12 . 1 1 116 116 LEU CA C 116 54.127 54.127 52.882 1.245 19036 8260 1 12 . 1 1 116 116 LEU CB C 116 44.934 44.934 43.599 1.335 19036 8261 1 12 . 1 1 116 116 LEU H H 116 8.097 8.097 8.253 -0.156 19036 8262 1 12 . 1 1 117 117 THR N N 117 114.690 114.690 111.114 3.576 19036 8263 1 12 . 1 1 117 117 THR HA H 117 4.492 4.492 4.490 0.002 19036 8264 1 12 . 1 1 117 117 THR CA C 117 60.751 60.751 60.709 0.042 19036 8265 1 12 . 1 1 117 117 THR CB C 117 71.303 71.303 70.730 0.573 19036 8266 1 12 . 1 1 117 117 THR H H 117 9.252 9.252 7.908 1.344 19036 8267 1 12 . 1 1 118 118 ASP N N 118 121.130 121.130 122.338 -1.208 19036 8268 1 12 . 1 1 118 118 ASP HA H 118 4.232 4.232 4.317 -0.085 19036 8269 1 12 . 1 1 118 118 ASP CA C 118 58.080 58.080 57.518 0.562 19036 8270 1 12 . 1 1 118 118 ASP CB C 118 39.870 39.870 40.686 -0.816 19036 8271 1 12 . 1 1 118 118 ASP H H 118 8.936 8.936 8.944 -0.008 19036 8272 1 12 . 1 1 119 119 GLU N N 119 119.110 119.110 118.969 0.141 19036 8273 1 12 . 1 1 119 119 GLU HA H 119 4.117 4.117 4.031 0.086 19036 8274 1 12 . 1 1 119 119 GLU CA C 119 60.043 60.043 59.781 0.262 19036 8275 1 12 . 1 1 119 119 GLU CB C 119 29.135 29.135 29.473 -0.338 19036 8276 1 12 . 1 1 119 119 GLU H H 119 8.715 8.715 8.689 0.026 19036 8277 1 12 . 1 1 120 120 GLU N N 120 120.680 120.680 119.195 1.485 19036 8278 1 12 . 1 1 120 120 GLU HA H 120 4.062 4.062 4.114 -0.052 19036 8279 1 12 . 1 1 120 120 GLU CA C 120 59.138 59.138 59.178 -0.040 19036 8280 1 12 . 1 1 120 120 GLU CB C 120 30.420 30.420 29.563 0.857 19036 8281 1 12 . 1 1 120 120 GLU H H 120 7.809 7.809 7.523 0.286 19036 8282 1 12 . 1 1 121 121 VAL N N 121 120.660 120.660 119.844 0.816 19036 8283 1 12 . 1 1 121 121 VAL HA H 121 3.637 3.637 3.749 -0.112 19036 8284 1 12 . 1 1 121 121 VAL CA C 121 67.003 67.003 66.847 0.157 19036 8285 1 12 . 1 1 121 121 VAL CB C 121 31.463 31.463 31.287 0.176 19036 8286 1 12 . 1 1 121 121 VAL H H 121 8.079 8.079 7.961 0.118 19036 8287 1 12 . 1 1 122 122 ASP N N 122 119.590 119.590 120.508 -0.918 19036 8288 1 12 . 1 1 122 122 ASP HA H 122 4.349 4.349 4.334 0.015 19036 8289 1 12 . 1 1 122 122 ASP CA C 122 57.718 57.718 57.812 -0.094 19036 8290 1 12 . 1 1 122 122 ASP CB C 122 40.593 40.593 40.787 -0.194 19036 8291 1 12 . 1 1 122 122 ASP H H 122 8.124 8.124 8.616 -0.492 19036 8292 1 12 . 1 1 123 123 GLU N N 123 119.760 119.760 119.550 0.210 19036 8293 1 12 . 1 1 123 123 GLU HA H 123 4.051 4.051 4.012 0.039 19036 8294 1 12 . 1 1 123 123 GLU CA C 123 59.144 59.144 58.839 0.305 19036 8295 1 12 . 1 1 123 123 GLU CB C 123 29.161 29.161 29.590 -0.429 19036 8296 1 12 . 1 1 123 123 GLU H H 123 8.034 8.034 8.283 -0.249 19036 8297 1 12 . 1 1 124 124 MET N N 124 119.580 119.580 120.621 -1.041 19036 8298 1 12 . 1 1 124 124 MET HA H 124 4.024 4.024 4.097 -0.073 19036 8299 1 12 . 1 1 124 124 MET CA C 124 59.353 59.353 59.287 0.066 19036 8300 1 12 . 1 1 124 124 MET CB C 124 33.497 33.497 32.698 0.799 19036 8301 1 12 . 1 1 124 124 MET H H 124 7.871 7.871 7.630 0.241 19036 8302 1 12 . 1 1 125 125 ILE N N 125 118.210 118.210 118.784 -0.574 19036 8303 1 12 . 1 1 125 125 ILE HA H 125 3.524 3.524 3.648 -0.124 19036 8304 1 12 . 1 1 125 125 ILE CA C 125 63.855 63.855 65.059 -1.204 19036 8305 1 12 . 1 1 125 125 ILE CB C 125 36.457 36.457 37.078 -0.621 19036 8306 1 12 . 1 1 125 125 ILE H H 125 7.953 7.953 7.819 0.134 19036 8307 1 12 . 1 1 126 126 ARG N N 126 118.420 118.420 120.091 -1.671 19036 8308 1 12 . 1 1 126 126 ARG HA H 126 4.038 4.038 3.998 0.040 19036 8309 1 12 . 1 1 126 126 ARG CA C 126 59.809 59.809 59.580 0.229 19036 8310 1 12 . 1 1 126 126 ARG CB C 126 30.311 30.311 30.042 0.269 19036 8311 1 12 . 1 1 126 126 ARG H H 126 8.228 8.228 7.667 0.561 19036 8312 1 12 . 1 1 127 127 GLU N N 127 115.830 115.830 117.737 -1.907 19036 8313 1 12 . 1 1 127 127 GLU HA H 127 4.026 4.026 4.165 -0.139 19036 8314 1 12 . 1 1 127 127 GLU CA C 127 58.489 58.489 58.760 -0.271 19036 8315 1 12 . 1 1 127 127 GLU CB C 127 29.435 29.435 29.906 -0.471 19036 8316 1 12 . 1 1 127 127 GLU H H 127 7.950 7.950 7.911 0.039 19036 8317 1 12 . 1 1 128 128 ALA N N 128 119.010 119.010 119.766 -0.756 19036 8318 1 12 . 1 1 128 128 ALA HA H 128 4.444 4.444 4.301 0.143 19036 8319 1 12 . 1 1 128 128 ALA CA C 128 52.125 52.125 52.307 -0.182 19036 8320 1 12 . 1 1 128 128 ALA CB C 128 21.322 21.322 19.666 1.656 19036 8321 1 12 . 1 1 128 128 ALA H H 128 7.386 7.386 7.605 -0.219 19036 8322 1 12 . 1 1 129 129 ASP N N 129 117.790 117.790 119.071 -1.281 19036 8323 1 12 . 1 1 129 129 ASP HA H 129 4.516 4.516 4.701 -0.185 19036 8324 1 12 . 1 1 129 129 ASP CA C 129 54.190 54.190 54.559 -0.369 19036 8325 1 12 . 1 1 129 129 ASP CB C 129 40.587 40.587 40.421 0.166 19036 8326 1 12 . 1 1 129 129 ASP H H 129 7.913 7.913 7.627 0.286 19036 8327 1 12 . 1 1 130 130 ILE N N 130 127.770 127.770 126.209 1.561 19036 8328 1 12 . 1 1 130 130 ILE HA H 130 3.938 3.938 4.064 -0.126 19036 8329 1 12 . 1 1 130 130 ILE CA C 130 63.431 63.431 62.763 0.668 19036 8330 1 12 . 1 1 130 130 ILE CB C 130 38.748 38.748 38.299 0.449 19036 8331 1 12 . 1 1 130 130 ILE H H 130 8.332 8.332 9.211 -0.879 19036 8332 1 12 . 1 1 131 131 ASP N N 131 116.680 116.680 117.711 -1.031 19036 8333 1 12 . 1 1 131 131 ASP HA H 131 4.493 4.493 4.658 -0.165 19036 8334 1 12 . 1 1 131 131 ASP CA C 131 53.734 53.734 54.239 -0.505 19036 8335 1 12 . 1 1 131 131 ASP CB C 131 40.062 40.062 42.015 -1.953 19036 8336 1 12 . 1 1 131 131 ASP H H 131 8.371 8.371 8.435 -0.064 19036 8337 1 12 . 1 1 132 132 GLY N N 132 108.680 108.680 109.378 -0.698 19036 8338 1 12 . 1 1 132 132 GLY CA C 132 47.587 47.587 45.096 2.491 19036 8339 1 12 . 1 1 132 132 GLY H H 132 7.636 7.636 7.631 0.005 19036 8340 1 12 . 1 1 133 133 ASP N N 133 120.930 120.930 121.524 -0.594 19036 8341 1 12 . 1 1 133 133 ASP HA H 133 4.530 4.530 4.247 0.283 19036 8342 1 12 . 1 1 133 133 ASP CA C 133 53.845 53.845 55.498 -1.653 19036 8343 1 12 . 1 1 133 133 ASP CB C 133 40.322 40.322 39.902 0.420 19036 8344 1 12 . 1 1 133 133 ASP H H 133 8.378 8.378 8.516 -0.138 19036 8345 1 12 . 1 1 134 134 GLY N N 134 112.990 112.990 106.260 6.730 19036 8346 1 12 . 1 1 134 134 GLY CA C 134 45.855 45.855 45.397 0.458 19036 8347 1 12 . 1 1 134 134 GLY H H 134 10.401 10.401 8.075 2.326 19036 8348 1 12 . 1 1 135 135 GLN N N 135 115.490 115.490 116.403 -0.913 19036 8349 1 12 . 1 1 135 135 GLN HA H 135 4.887 4.887 4.683 0.204 19036 8350 1 12 . 1 1 135 135 GLN CA C 135 53.289 53.289 53.858 -0.569 19036 8351 1 12 . 1 1 135 135 GLN CB C 135 32.515 32.515 33.494 -0.979 19036 8352 1 12 . 1 1 135 135 GLN H H 135 8.007 8.007 7.760 0.247 19036 8353 1 12 . 1 1 136 136 VAL N N 136 125.480 125.480 121.061 4.419 19036 8354 1 12 . 1 1 136 136 VAL HA H 136 5.213 5.213 4.868 0.345 19036 8355 1 12 . 1 1 136 136 VAL CA C 136 61.784 61.784 60.987 0.797 19036 8356 1 12 . 1 1 136 136 VAL CB C 136 33.839 33.839 33.109 0.730 19036 8357 1 12 . 1 1 136 136 VAL H H 136 9.167 9.167 8.006 1.161 19036 8358 1 12 . 1 1 137 137 ASN N N 137 129.140 129.140 124.930 4.210 19036 8359 1 12 . 1 1 137 137 ASN HA H 137 5.288 5.288 5.221 0.067 19036 8360 1 12 . 1 1 137 137 ASN CA C 137 51.176 51.176 50.460 0.716 19036 8361 1 12 . 1 1 137 137 ASN CB C 137 38.446 38.446 40.180 -1.734 19036 8362 1 12 . 1 1 137 137 ASN H H 137 9.576 9.576 8.192 1.384 19036 8363 1 12 . 1 1 138 138 TYR N N 138 118.600 118.600 121.111 -2.511 19036 8364 1 12 . 1 1 138 138 TYR HA H 138 3.456 3.456 4.140 -0.684 19036 8365 1 12 . 1 1 138 138 TYR CA C 138 62.842 62.842 63.529 -0.688 19036 8366 1 12 . 1 1 138 138 TYR CB C 138 37.805 37.805 37.913 -0.108 19036 8367 1 12 . 1 1 138 138 TYR H H 138 8.464 8.464 8.894 -0.430 19036 8368 1 12 . 1 1 139 139 GLU N N 139 118.470 118.470 119.358 -0.888 19036 8369 1 12 . 1 1 139 139 GLU HA H 139 3.686 3.686 3.956 -0.270 19036 8370 1 12 . 1 1 139 139 GLU CA C 139 60.456 60.456 60.399 0.057 19036 8371 1 12 . 1 1 139 139 GLU CB C 139 29.008 29.008 28.982 0.026 19036 8372 1 12 . 1 1 139 139 GLU H H 139 8.152 8.152 8.953 -0.801 19036 8373 1 12 . 1 1 140 140 GLU N N 140 119.970 119.970 119.938 0.032 19036 8374 1 12 . 1 1 140 140 GLU HA H 140 4.025 4.025 4.134 -0.109 19036 8375 1 12 . 1 1 140 140 GLU CA C 140 58.655 58.655 59.056 -0.401 19036 8376 1 12 . 1 1 140 140 GLU CB C 140 29.868 29.868 29.502 0.366 19036 8377 1 12 . 1 1 140 140 GLU H H 140 8.815 8.815 8.259 0.556 19036 8378 1 12 . 1 1 141 141 PHE N N 141 124.860 124.860 121.992 2.868 19036 8379 1 12 . 1 1 141 141 PHE HA H 141 4.000 4.000 4.227 -0.227 19036 8380 1 12 . 1 1 141 141 PHE CA C 141 61.733 61.733 61.526 0.207 19036 8381 1 12 . 1 1 141 141 PHE CB C 141 40.089 40.089 39.391 0.698 19036 8382 1 12 . 1 1 141 141 PHE H H 141 8.927 8.927 8.909 0.018 19036 8383 1 12 . 1 1 142 142 VAL N N 142 119.400 119.400 118.523 0.877 19036 8384 1 12 . 1 1 142 142 VAL HA H 142 3.152 3.152 3.513 -0.361 19036 8385 1 12 . 1 1 142 142 VAL CA C 142 67.139 67.139 67.094 0.045 19036 8386 1 12 . 1 1 142 142 VAL CB C 142 31.622 31.622 31.503 0.119 19036 8387 1 12 . 1 1 142 142 VAL H H 142 8.635 8.635 8.851 -0.216 19036 8388 1 12 . 1 1 143 143 GLN N N 143 118.420 118.420 117.412 1.008 19036 8389 1 12 . 1 1 143 143 GLN HA H 143 3.902 3.902 4.016 -0.114 19036 8390 1 12 . 1 1 143 143 GLN CA C 143 58.894 58.894 58.077 0.817 19036 8391 1 12 . 1 1 143 143 GLN CB C 143 28.186 28.186 28.485 -0.299 19036 8392 1 12 . 1 1 143 143 GLN H H 143 7.516 7.516 7.868 -0.352 19036 8393 1 12 . 1 1 144 144 MET N N 144 119.410 119.410 116.941 2.469 19036 8394 1 12 . 1 1 144 144 MET HA H 144 4.113 4.113 4.067 0.046 19036 8395 1 12 . 1 1 144 144 MET CA C 144 58.360 58.360 58.115 0.245 19036 8396 1 12 . 1 1 144 144 MET CB C 144 33.188 33.188 32.921 0.267 19036 8397 1 12 . 1 1 144 144 MET H H 144 7.867 7.867 8.093 -0.226 19036 8398 1 12 . 1 1 145 145 MET N N 145 114.770 114.770 114.295 0.475 19036 8399 1 12 . 1 1 145 145 MET HA H 145 4.263 4.263 4.227 0.036 19036 8400 1 12 . 1 1 145 145 MET CA C 145 55.607 55.607 58.035 -2.428 19036 8401 1 12 . 1 1 145 145 MET CB C 145 32.224 32.224 33.082 -0.858 19036 8402 1 12 . 1 1 145 145 MET H H 145 7.796 7.796 7.414 0.382 19036 8403 1 12 . 1 1 146 146 THR N N 146 111.500 111.500 116.877 -5.377 19036 8404 1 12 . 1 1 146 146 THR HA H 146 4.325 4.325 4.143 0.182 19036 8405 1 12 . 1 1 146 146 THR CA C 146 62.420 62.420 62.991 -0.571 19036 8406 1 12 . 1 1 146 146 THR CB C 146 70.327 70.327 66.600 3.727 19036 8407 1 12 . 1 1 146 146 THR H H 146 7.591 7.591 7.850 -0.259 19036 8408 1 12 . 1 1 147 147 ALA N N 147 127.110 127.110 125.037 2.073 19036 8409 1 12 . 1 1 147 147 ALA HA H 147 4.319 4.319 4.578 -0.259 19036 8410 1 12 . 1 1 147 147 ALA CA C 147 52.991 52.991 50.910 2.082 19036 8411 1 12 . 1 1 147 147 ALA CB C 147 19.162 19.162 20.877 -1.715 19036 8412 1 12 . 1 1 147 147 ALA H H 147 7.827 7.827 8.199 -0.372 19036 8413 1 13 . 1 1 2 2 ASP HA H 2 4.654 4.654 4.620 0.034 19036 8414 1 13 . 1 1 2 2 ASP CA C 2 54.799 54.799 53.587 1.212 19036 8415 1 13 . 1 1 2 2 ASP CB C 2 41.496 41.496 40.887 0.609 19036 8416 1 13 . 1 1 3 3 GLN N N 3 119.900 119.900 118.792 1.108 19036 8417 1 13 . 1 1 3 3 GLN HA H 3 4.399 4.399 4.120 0.279 19036 8418 1 13 . 1 1 3 3 GLN CA C 3 55.646 55.646 57.152 -1.506 19036 8419 1 13 . 1 1 3 3 GLN CB C 3 29.996 29.996 28.839 1.157 19036 8420 1 13 . 1 1 3 3 GLN H H 3 8.385 8.385 7.878 0.507 19036 8421 1 13 . 1 1 4 4 LEU N N 4 123.270 123.270 120.122 3.148 19036 8422 1 13 . 1 1 4 4 LEU HA H 4 4.681 4.681 4.444 0.237 19036 8423 1 13 . 1 1 4 4 LEU CA C 4 54.516 54.516 54.673 -0.157 19036 8424 1 13 . 1 1 4 4 LEU CB C 4 43.666 43.666 43.103 0.563 19036 8425 1 13 . 1 1 4 4 LEU H H 4 8.351 8.351 7.876 0.475 19036 8426 1 13 . 1 1 5 5 THR N N 5 113.150 113.150 111.634 1.516 19036 8427 1 13 . 1 1 5 5 THR HA H 5 4.479 4.479 4.537 -0.058 19036 8428 1 13 . 1 1 5 5 THR CA C 5 60.553 60.553 60.181 0.372 19036 8429 1 13 . 1 1 5 5 THR CB C 5 71.232 71.232 71.920 -0.688 19036 8430 1 13 . 1 1 5 5 THR H H 5 8.764 8.764 7.923 0.841 19036 8431 1 13 . 1 1 6 6 GLU N N 6 120.490 120.490 122.918 -2.428 19036 8432 1 13 . 1 1 6 6 GLU HA H 6 3.994 3.994 3.990 0.004 19036 8433 1 13 . 1 1 6 6 GLU CA C 6 60.091 60.091 59.484 0.607 19036 8434 1 13 . 1 1 6 6 GLU CB C 6 29.307 29.307 29.296 0.011 19036 8435 1 13 . 1 1 6 6 GLU H H 6 9.066 9.066 9.062 0.004 19036 8436 1 13 . 1 1 7 7 GLU N N 7 119.640 119.640 118.073 1.567 19036 8437 1 13 . 1 1 7 7 GLU HA H 7 4.081 4.081 4.037 0.044 19036 8438 1 13 . 1 1 7 7 GLU CA C 7 60.055 60.055 59.239 0.816 19036 8439 1 13 . 1 1 7 7 GLU CB C 7 29.194 29.194 28.961 0.233 19036 8440 1 13 . 1 1 7 7 GLU H H 7 8.769 8.769 8.697 0.072 19036 8441 1 13 . 1 1 8 8 GLN N N 8 120.420 120.420 119.681 0.739 19036 8442 1 13 . 1 1 8 8 GLN HA H 8 3.857 3.857 3.869 -0.012 19036 8443 1 13 . 1 1 8 8 GLN CA C 8 58.691 58.691 58.642 0.049 19036 8444 1 13 . 1 1 8 8 GLN CB C 8 29.295 29.295 28.427 0.868 19036 8445 1 13 . 1 1 8 8 GLN H H 8 7.779 7.779 7.423 0.356 19036 8446 1 13 . 1 1 9 9 ILE N N 9 119.530 119.530 119.459 0.071 19036 8447 1 13 . 1 1 9 9 ILE HA H 9 3.699 3.699 3.676 0.023 19036 8448 1 13 . 1 1 9 9 ILE CA C 9 66.284 66.284 64.751 1.533 19036 8449 1 13 . 1 1 9 9 ILE CB C 9 37.882 37.882 37.653 0.229 19036 8450 1 13 . 1 1 9 9 ILE H H 9 8.391 8.391 7.445 0.946 19036 8451 1 13 . 1 1 10 10 ALA N N 10 121.270 121.270 120.762 0.508 19036 8452 1 13 . 1 1 10 10 ALA HA H 10 4.140 4.140 3.893 0.247 19036 8453 1 13 . 1 1 10 10 ALA CA C 10 55.569 55.569 55.306 0.263 19036 8454 1 13 . 1 1 10 10 ALA CB C 10 17.977 17.977 17.812 0.165 19036 8455 1 13 . 1 1 10 10 ALA H H 10 8.040 8.040 7.693 0.347 19036 8456 1 13 . 1 1 11 11 GLU N N 11 119.830 119.830 119.498 0.332 19036 8457 1 13 . 1 1 11 11 GLU HA H 11 4.159 4.159 4.046 0.113 19036 8458 1 13 . 1 1 11 11 GLU CA C 11 59.438 59.438 59.161 0.277 19036 8459 1 13 . 1 1 11 11 GLU CB C 11 29.098 29.098 29.341 -0.243 19036 8460 1 13 . 1 1 11 11 GLU H H 11 7.841 7.841 7.433 0.408 19036 8461 1 13 . 1 1 12 12 PHE N N 12 120.250 120.250 116.974 3.276 19036 8462 1 13 . 1 1 12 12 PHE HA H 12 5.033 5.033 4.745 0.288 19036 8463 1 13 . 1 1 12 12 PHE CA C 12 59.113 59.113 57.735 1.378 19036 8464 1 13 . 1 1 12 12 PHE CB C 12 37.727 37.727 38.569 -0.842 19036 8465 1 13 . 1 1 12 12 PHE H H 12 8.641 8.641 7.250 1.391 19036 8466 1 13 . 1 1 13 13 LYS N N 13 123.680 123.680 121.795 1.885 19036 8467 1 13 . 1 1 13 13 LYS HA H 13 4.038 4.038 4.100 -0.062 19036 8468 1 13 . 1 1 13 13 LYS CA C 13 60.228 60.228 60.495 -0.267 19036 8469 1 13 . 1 1 13 13 LYS CB C 13 32.020 32.020 32.238 -0.218 19036 8470 1 13 . 1 1 13 13 LYS H H 13 9.273 9.273 8.393 0.880 19036 8471 1 13 . 1 1 14 14 GLU N N 14 120.480 120.480 118.956 1.524 19036 8472 1 13 . 1 1 14 14 GLU HA H 14 4.150 4.150 4.104 0.046 19036 8473 1 13 . 1 1 14 14 GLU CA C 14 59.283 59.283 59.226 0.057 19036 8474 1 13 . 1 1 14 14 GLU CB C 14 29.163 29.163 29.307 -0.144 19036 8475 1 13 . 1 1 14 14 GLU H H 14 7.873 7.873 7.770 0.103 19036 8476 1 13 . 1 1 15 15 ALA N N 15 122.590 122.590 121.498 1.092 19036 8477 1 13 . 1 1 15 15 ALA HA H 15 4.285 4.285 4.205 0.080 19036 8478 1 13 . 1 1 15 15 ALA CA C 15 55.370 55.370 54.884 0.486 19036 8479 1 13 . 1 1 15 15 ALA CB C 15 18.190 18.190 18.422 -0.232 19036 8480 1 13 . 1 1 15 15 ALA H H 15 8.045 8.045 7.620 0.425 19036 8481 1 13 . 1 1 16 16 PHE N N 16 119.110 119.110 119.486 -0.376 19036 8482 1 13 . 1 1 16 16 PHE HA H 16 3.314 3.314 3.972 -0.658 19036 8483 1 13 . 1 1 16 16 PHE CA C 16 62.091 62.091 60.631 1.460 19036 8484 1 13 . 1 1 16 16 PHE CB C 16 39.813 39.813 39.201 0.612 19036 8485 1 13 . 1 1 16 16 PHE H H 16 8.804 8.804 8.526 0.278 19036 8486 1 13 . 1 1 17 17 SER N N 17 113.200 113.200 114.187 -0.987 19036 8487 1 13 . 1 1 17 17 SER HA H 17 4.139 4.139 3.990 0.149 19036 8488 1 13 . 1 1 17 17 SER CA C 17 61.542 61.542 61.352 0.190 19036 8489 1 13 . 1 1 17 17 SER CB C 17 63.424 63.424 62.800 0.625 19036 8490 1 13 . 1 1 17 17 SER H H 17 8.083 8.083 8.024 0.059 19036 8491 1 13 . 1 1 18 18 LEU N N 18 120.840 120.840 119.860 0.980 19036 8492 1 13 . 1 1 18 18 LEU HA H 18 3.981 3.981 3.920 0.061 19036 8493 1 13 . 1 1 18 18 LEU CA C 18 57.258 57.258 57.600 -0.342 19036 8494 1 13 . 1 1 18 18 LEU CB C 18 41.565 41.565 41.949 -0.384 19036 8495 1 13 . 1 1 18 18 LEU H H 18 7.436 7.436 7.485 -0.049 19036 8496 1 13 . 1 1 19 19 PHE N N 19 114.020 114.020 114.949 -0.929 19036 8497 1 13 . 1 1 19 19 PHE HA H 19 4.237 4.237 4.140 0.097 19036 8498 1 13 . 1 1 19 19 PHE CA C 19 59.258 59.258 60.052 -0.794 19036 8499 1 13 . 1 1 19 19 PHE CB C 19 41.732 41.732 39.001 2.731 19036 8500 1 13 . 1 1 19 19 PHE H H 19 7.180 7.180 7.399 -0.219 19036 8501 1 13 . 1 1 20 20 ASP N N 20 117.440 117.440 118.381 -0.941 19036 8502 1 13 . 1 1 20 20 ASP HA H 20 4.579 4.579 4.572 0.007 19036 8503 1 13 . 1 1 20 20 ASP CA C 20 52.295 52.295 52.606 -0.311 19036 8504 1 13 . 1 1 20 20 ASP CB C 20 39.167 39.167 39.274 -0.107 19036 8505 1 13 . 1 1 20 20 ASP H H 20 7.844 7.844 7.384 0.460 19036 8506 1 13 . 1 1 21 21 LYS N N 21 124.410 124.410 124.595 -0.185 19036 8507 1 13 . 1 1 21 21 LYS HA H 21 3.990 3.990 3.947 0.043 19036 8508 1 13 . 1 1 21 21 LYS CA C 21 58.379 58.379 58.758 -0.379 19036 8509 1 13 . 1 1 21 21 LYS CB C 21 32.623 32.623 32.439 0.184 19036 8510 1 13 . 1 1 21 21 LYS H H 21 7.728 7.728 7.879 -0.151 19036 8511 1 13 . 1 1 22 22 ASP N N 22 114.060 114.060 117.601 -3.541 19036 8512 1 13 . 1 1 22 22 ASP HA H 22 4.625 4.625 4.472 0.153 19036 8513 1 13 . 1 1 22 22 ASP CA C 22 52.921 52.921 55.718 -2.797 19036 8514 1 13 . 1 1 22 22 ASP CB C 22 39.728 39.728 40.854 -1.126 19036 8515 1 13 . 1 1 22 22 ASP H H 22 8.095 8.095 8.828 -0.733 19036 8516 1 13 . 1 1 23 23 GLY N N 23 109.390 109.390 107.648 1.742 19036 8517 1 13 . 1 1 23 23 GLY CA C 23 47.250 47.250 46.007 1.243 19036 8518 1 13 . 1 1 23 23 GLY H H 23 7.717 7.717 7.940 -0.223 19036 8519 1 13 . 1 1 24 24 ASP N N 24 120.860 120.860 120.129 0.731 19036 8520 1 13 . 1 1 24 24 ASP HA H 24 4.564 4.564 4.637 -0.073 19036 8521 1 13 . 1 1 24 24 ASP CA C 24 53.918 53.918 52.792 1.126 19036 8522 1 13 . 1 1 24 24 ASP CB C 24 40.569 40.569 40.131 0.438 19036 8523 1 13 . 1 1 24 24 ASP H H 24 8.472 8.472 8.084 0.388 19036 8524 1 13 . 1 1 25 25 GLY N N 25 113.090 113.090 108.863 4.227 19036 8525 1 13 . 1 1 25 25 GLY CA C 25 45.542 45.542 45.745 -0.203 19036 8526 1 13 . 1 1 25 25 GLY H H 25 10.619 10.619 8.252 2.367 19036 8527 1 13 . 1 1 26 26 THR N N 26 112.600 112.600 110.425 2.175 19036 8528 1 13 . 1 1 26 26 THR HA H 26 5.391 5.391 5.305 0.086 19036 8529 1 13 . 1 1 26 26 THR CA C 26 59.883 59.883 59.810 0.073 19036 8530 1 13 . 1 1 26 26 THR CB C 26 72.786 72.786 72.592 0.194 19036 8531 1 13 . 1 1 26 26 THR H H 26 8.211 8.211 8.656 -0.445 19036 8532 1 13 . 1 1 27 27 ILE N N 27 126.830 126.830 123.778 3.052 19036 8533 1 13 . 1 1 27 27 ILE HA H 27 4.895 4.895 4.502 0.393 19036 8534 1 13 . 1 1 27 27 ILE CA C 27 60.856 60.856 60.410 0.446 19036 8535 1 13 . 1 1 27 27 ILE CB C 27 39.926 39.926 40.079 -0.153 19036 8536 1 13 . 1 1 27 27 ILE H H 27 9.876 9.876 8.348 1.528 19036 8537 1 13 . 1 1 28 28 THR N N 28 116.500 116.500 116.770 -0.270 19036 8538 1 13 . 1 1 28 28 THR HA H 28 4.811 4.811 4.990 -0.179 19036 8539 1 13 . 1 1 28 28 THR CA C 28 59.216 59.216 59.797 -0.581 19036 8540 1 13 . 1 1 28 28 THR CB C 28 72.541 72.541 71.697 0.844 19036 8541 1 13 . 1 1 28 28 THR H H 28 8.439 8.439 9.077 -0.638 19036 8542 1 13 . 1 1 29 29 THR N N 29 112.850 112.850 114.492 -1.642 19036 8543 1 13 . 1 1 29 29 THR HA H 29 3.807 3.807 3.842 -0.035 19036 8544 1 13 . 1 1 29 29 THR CA C 29 66.516 66.516 66.830 -0.314 19036 8545 1 13 . 1 1 29 29 THR CB C 29 68.018 68.018 68.817 -0.799 19036 8546 1 13 . 1 1 29 29 THR H H 29 9.238 9.238 8.947 0.291 19036 8547 1 13 . 1 1 30 30 LYS N N 30 121.130 121.130 121.241 -0.111 19036 8548 1 13 . 1 1 30 30 LYS HA H 30 4.170 4.170 3.998 0.172 19036 8549 1 13 . 1 1 30 30 LYS CA C 30 59.377 59.377 59.566 -0.189 19036 8550 1 13 . 1 1 30 30 LYS CB C 30 32.823 32.823 32.219 0.604 19036 8551 1 13 . 1 1 30 30 LYS H H 30 7.688 7.688 8.326 -0.638 19036 8552 1 13 . 1 1 31 31 GLU N N 31 121.920 121.920 119.702 2.218 19036 8553 1 13 . 1 1 31 31 GLU HA H 31 4.062 4.062 4.034 0.028 19036 8554 1 13 . 1 1 31 31 GLU CA C 31 59.579 59.579 59.395 0.184 19036 8555 1 13 . 1 1 31 31 GLU CB C 31 29.837 29.837 29.676 0.161 19036 8556 1 13 . 1 1 31 31 GLU H H 31 7.783 7.783 7.539 0.244 19036 8557 1 13 . 1 1 32 32 LEU N N 32 120.570 120.570 121.013 -0.443 19036 8558 1 13 . 1 1 32 32 LEU HA H 32 4.145 4.145 4.099 0.046 19036 8559 1 13 . 1 1 32 32 LEU CA C 32 58.321 58.321 58.051 0.270 19036 8560 1 13 . 1 1 32 32 LEU CB C 32 42.697 42.697 42.128 0.569 19036 8561 1 13 . 1 1 32 32 LEU H H 32 8.705 8.705 8.129 0.576 19036 8562 1 13 . 1 1 33 33 GLY N N 33 105.720 105.720 105.835 -0.115 19036 8563 1 13 . 1 1 33 33 GLY H H 33 8.753 8.753 8.229 0.524 19036 8564 1 13 . 1 1 34 34 THR N N 34 118.370 118.370 119.180 -0.810 19036 8565 1 13 . 1 1 34 34 THR HA H 34 3.961 3.961 3.905 0.056 19036 8566 1 13 . 1 1 34 34 THR CA C 34 67.097 67.097 67.364 -0.267 19036 8567 1 13 . 1 1 34 34 THR CB C 34 68.869 68.869 68.720 0.149 19036 8568 1 13 . 1 1 34 34 THR H H 34 8.071 8.071 7.876 0.195 19036 8569 1 13 . 1 1 35 35 VAL N N 35 122.170 122.170 121.609 0.561 19036 8570 1 13 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.777 -0.168 19036 8571 1 13 . 1 1 35 35 VAL CA C 35 66.538 66.538 65.232 1.306 19036 8572 1 13 . 1 1 35 35 VAL CB C 35 31.589 31.589 31.772 -0.183 19036 8573 1 13 . 1 1 35 35 VAL H H 35 7.738 7.738 7.588 0.150 19036 8574 1 13 . 1 1 36 36 MET N N 36 118.620 118.620 119.244 -0.624 19036 8575 1 13 . 1 1 36 36 MET HA H 36 4.043 4.043 4.134 -0.091 19036 8576 1 13 . 1 1 36 36 MET CA C 36 59.594 59.594 58.834 0.760 19036 8577 1 13 . 1 1 36 36 MET CB C 36 31.850 31.850 32.541 -0.691 19036 8578 1 13 . 1 1 36 36 MET H H 36 8.559 8.559 8.679 -0.120 19036 8579 1 13 . 1 1 37 37 ARG N N 37 118.920 118.920 118.539 0.381 19036 8580 1 13 . 1 1 37 37 ARG HA H 37 4.798 4.798 4.160 0.638 19036 8581 1 13 . 1 1 37 37 ARG CA C 37 59.518 59.518 59.176 0.342 19036 8582 1 13 . 1 1 37 37 ARG CB C 37 30.189 30.189 29.853 0.336 19036 8583 1 13 . 1 1 37 37 ARG H H 37 8.638 8.638 8.807 -0.169 19036 8584 1 13 . 1 1 38 38 SER N N 38 119.000 119.000 115.849 3.151 19036 8585 1 13 . 1 1 38 38 SER HA H 38 4.420 4.420 4.232 0.188 19036 8586 1 13 . 1 1 38 38 SER CA C 38 61.682 61.682 60.875 0.807 19036 8587 1 13 . 1 1 38 38 SER CB C 38 62.890 62.890 62.932 -0.042 19036 8588 1 13 . 1 1 38 38 SER H H 38 7.994 7.994 7.496 0.498 19036 8589 1 13 . 1 1 39 39 LEU N N 39 120.790 120.790 121.686 -0.896 19036 8590 1 13 . 1 1 39 39 LEU HA H 39 4.498 4.498 4.260 0.238 19036 8591 1 13 . 1 1 39 39 LEU CA C 39 54.405 54.405 54.910 -0.505 19036 8592 1 13 . 1 1 39 39 LEU CB C 39 41.979 41.979 42.002 -0.023 19036 8593 1 13 . 1 1 39 39 LEU H H 39 7.426 7.426 7.474 -0.048 19036 8594 1 13 . 1 1 40 40 GLY N N 40 106.830 106.830 107.740 -0.910 19036 8595 1 13 . 1 1 40 40 GLY CA C 40 45.713 45.713 45.110 0.603 19036 8596 1 13 . 1 1 40 40 GLY H H 40 7.896 7.896 7.821 0.075 19036 8597 1 13 . 1 1 41 41 GLN N N 41 118.330 118.330 119.263 -0.933 19036 8598 1 13 . 1 1 41 41 GLN HA H 41 4.503 4.503 4.534 -0.031 19036 8599 1 13 . 1 1 41 41 GLN CA C 41 54.585 54.585 54.292 0.293 19036 8600 1 13 . 1 1 41 41 GLN CB C 41 30.591 30.591 31.342 -0.751 19036 8601 1 13 . 1 1 41 41 GLN H H 41 7.865 7.865 7.711 0.154 19036 8602 1 13 . 1 1 42 42 ASN N N 42 116.490 116.490 119.230 -2.740 19036 8603 1 13 . 1 1 42 42 ASN HA H 42 5.214 5.214 4.990 0.224 19036 8604 1 13 . 1 1 42 42 ASN CA C 42 51.351 51.351 50.509 0.842 19036 8605 1 13 . 1 1 42 42 ASN CB C 42 39.402 39.402 38.056 1.346 19036 8606 1 13 . 1 1 42 42 ASN H H 42 8.771 8.771 8.448 0.323 19036 8607 1 13 . 1 1 43 43 PRO HA H 43 4.779 4.779 4.819 -0.040 19036 8608 1 13 . 1 1 43 43 PRO CA C 43 62.475 62.475 62.666 -0.191 19036 8609 1 13 . 1 1 43 43 PRO CB C 43 32.084 32.084 32.674 -0.590 19036 8610 1 13 . 1 1 44 44 THR N N 44 113.050 113.050 112.901 0.149 19036 8611 1 13 . 1 1 44 44 THR HA H 44 4.487 4.487 4.589 -0.102 19036 8612 1 13 . 1 1 44 44 THR CA C 44 60.565 60.565 60.070 0.495 19036 8613 1 13 . 1 1 44 44 THR CB C 44 71.260 71.260 71.434 -0.174 19036 8614 1 13 . 1 1 44 44 THR H H 44 8.808 8.808 8.278 0.530 19036 8615 1 13 . 1 1 45 45 GLU N N 45 120.700 120.700 122.824 -2.124 19036 8616 1 13 . 1 1 45 45 GLU HA H 45 4.001 4.001 4.002 -0.001 19036 8617 1 13 . 1 1 45 45 GLU CA C 45 60.082 60.082 60.284 -0.202 19036 8618 1 13 . 1 1 45 45 GLU CB C 45 29.129 29.129 29.055 0.074 19036 8619 1 13 . 1 1 45 45 GLU H H 45 8.842 8.842 9.032 -0.190 19036 8620 1 13 . 1 1 46 46 ALA N N 46 120.880 120.880 121.340 -0.460 19036 8621 1 13 . 1 1 46 46 ALA HA H 46 4.125 4.125 4.159 -0.034 19036 8622 1 13 . 1 1 46 46 ALA CA C 46 55.125 55.125 54.877 0.248 19036 8623 1 13 . 1 1 46 46 ALA CB C 46 18.342 18.342 18.094 0.248 19036 8624 1 13 . 1 1 46 46 ALA H H 46 8.305 8.305 8.328 -0.023 19036 8625 1 13 . 1 1 47 47 GLU N N 47 118.780 118.780 119.593 -0.813 19036 8626 1 13 . 1 1 47 47 GLU HA H 47 4.040 4.040 4.063 -0.023 19036 8627 1 13 . 1 1 47 47 GLU CA C 47 59.144 59.144 59.169 -0.025 19036 8628 1 13 . 1 1 47 47 GLU CB C 47 29.886 29.886 29.644 0.242 19036 8629 1 13 . 1 1 47 47 GLU H H 47 7.736 7.736 7.520 0.216 19036 8630 1 13 . 1 1 48 48 LEU N N 48 120.120 120.120 119.620 0.500 19036 8631 1 13 . 1 1 48 48 LEU HA H 48 4.079 4.079 4.040 0.039 19036 8632 1 13 . 1 1 48 48 LEU CA C 48 57.955 57.955 57.687 0.268 19036 8633 1 13 . 1 1 48 48 LEU CB C 48 42.516 42.516 41.864 0.652 19036 8634 1 13 . 1 1 48 48 LEU H H 48 8.169 8.169 7.799 0.370 19036 8635 1 13 . 1 1 49 49 GLN N N 49 118.390 118.390 119.505 -1.115 19036 8636 1 13 . 1 1 49 49 GLN HA H 49 3.849 3.849 3.919 -0.070 19036 8637 1 13 . 1 1 49 49 GLN CA C 49 58.676 58.676 59.341 -0.665 19036 8638 1 13 . 1 1 49 49 GLN CB C 49 28.341 28.341 28.165 0.176 19036 8639 1 13 . 1 1 49 49 GLN H H 49 8.235 8.235 8.356 -0.121 19036 8640 1 13 . 1 1 50 50 ASP N N 50 120.090 120.090 120.187 -0.097 19036 8641 1 13 . 1 1 50 50 ASP HA H 50 4.439 4.439 4.378 0.061 19036 8642 1 13 . 1 1 50 50 ASP CA C 50 57.643 57.643 56.980 0.663 19036 8643 1 13 . 1 1 50 50 ASP CB C 50 40.366 40.366 40.662 -0.296 19036 8644 1 13 . 1 1 50 50 ASP H H 50 8.164 8.164 7.824 0.340 19036 8645 1 13 . 1 1 51 51 MET N N 51 119.330 119.330 119.136 0.194 19036 8646 1 13 . 1 1 51 51 MET HA H 51 4.021 4.021 4.102 -0.081 19036 8647 1 13 . 1 1 51 51 MET CA C 51 59.332 59.332 59.594 -0.262 19036 8648 1 13 . 1 1 51 51 MET CB C 51 33.713 33.713 33.231 0.482 19036 8649 1 13 . 1 1 51 51 MET H H 51 7.909 7.909 7.469 0.440 19036 8650 1 13 . 1 1 52 52 ILE N N 52 118.080 118.080 117.952 0.128 19036 8651 1 13 . 1 1 52 52 ILE HA H 52 3.581 3.581 3.648 -0.067 19036 8652 1 13 . 1 1 52 52 ILE CA C 52 64.476 64.476 64.589 -0.113 19036 8653 1 13 . 1 1 52 52 ILE CB C 52 37.177 37.177 37.495 -0.319 19036 8654 1 13 . 1 1 52 52 ILE H H 52 7.767 7.767 8.332 -0.565 19036 8655 1 13 . 1 1 53 53 ASN N N 53 117.980 117.980 118.303 -0.323 19036 8656 1 13 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.448 -0.031 19036 8657 1 13 . 1 1 53 53 ASN CA C 53 55.988 55.988 56.032 -0.044 19036 8658 1 13 . 1 1 53 53 ASN CB C 53 38.211 38.211 38.145 0.066 19036 8659 1 13 . 1 1 53 53 ASN H H 53 8.669 8.669 8.617 0.052 19036 8660 1 13 . 1 1 54 54 GLU N N 54 116.350 116.350 119.235 -2.885 19036 8661 1 13 . 1 1 54 54 GLU HA H 54 4.066 4.066 4.114 -0.048 19036 8662 1 13 . 1 1 54 54 GLU CA C 54 58.930 58.930 58.876 0.054 19036 8663 1 13 . 1 1 54 54 GLU CB C 54 30.404 30.404 29.759 0.645 19036 8664 1 13 . 1 1 54 54 GLU H H 54 7.566 7.566 7.875 -0.309 19036 8665 1 13 . 1 1 55 55 VAL N N 55 110.520 110.520 116.639 -6.119 19036 8666 1 13 . 1 1 55 55 VAL HA H 55 4.366 4.366 4.166 0.200 19036 8667 1 13 . 1 1 55 55 VAL CA C 55 61.089 61.089 61.304 -0.215 19036 8668 1 13 . 1 1 55 55 VAL CB C 55 33.088 33.088 32.239 0.849 19036 8669 1 13 . 1 1 55 55 VAL H H 55 7.242 7.242 7.470 -0.228 19036 8670 1 13 . 1 1 56 56 ASP N N 56 121.390 121.390 120.515 0.875 19036 8671 1 13 . 1 1 56 56 ASP HA H 56 4.582 4.582 4.572 0.010 19036 8672 1 13 . 1 1 56 56 ASP CA C 56 53.916 53.916 53.932 -0.016 19036 8673 1 13 . 1 1 56 56 ASP CB C 56 40.588 40.588 40.367 0.221 19036 8674 1 13 . 1 1 56 56 ASP H H 56 7.749 7.749 7.403 0.346 19036 8675 1 13 . 1 1 57 57 ALA N N 57 131.640 131.640 130.016 1.624 19036 8676 1 13 . 1 1 57 57 ALA HA H 57 4.247 4.247 4.256 -0.009 19036 8677 1 13 . 1 1 57 57 ALA CA C 57 54.341 54.341 53.487 0.854 19036 8678 1 13 . 1 1 57 57 ALA CB C 57 19.800 19.800 20.015 -0.215 19036 8679 1 13 . 1 1 57 57 ALA H H 57 8.323 8.323 8.189 0.134 19036 8680 1 13 . 1 1 58 58 ASP N N 58 114.000 114.000 116.231 -2.231 19036 8681 1 13 . 1 1 58 58 ASP HA H 58 4.682 4.682 4.626 0.056 19036 8682 1 13 . 1 1 58 58 ASP CA C 58 52.705 52.705 53.126 -0.420 19036 8683 1 13 . 1 1 58 58 ASP CB C 58 39.931 39.931 40.535 -0.604 19036 8684 1 13 . 1 1 58 58 ASP H H 58 8.240 8.240 7.983 0.257 19036 8685 1 13 . 1 1 59 59 GLY N N 59 108.660 108.660 108.562 0.098 19036 8686 1 13 . 1 1 59 59 GLY CA C 59 47.306 47.306 46.118 1.188 19036 8687 1 13 . 1 1 59 59 GLY H H 59 7.635 7.635 8.483 -0.848 19036 8688 1 13 . 1 1 60 60 ASN N N 60 118.730 118.730 119.478 -0.748 19036 8689 1 13 . 1 1 60 60 ASN HA H 60 4.658 4.658 4.680 -0.022 19036 8690 1 13 . 1 1 60 60 ASN CA C 60 52.805 52.805 52.154 0.651 19036 8691 1 13 . 1 1 60 60 ASN CB C 60 37.716 37.716 38.784 -1.068 19036 8692 1 13 . 1 1 60 60 ASN H H 60 8.184 8.184 9.043 -0.859 19036 8693 1 13 . 1 1 61 61 GLY N N 61 113.430 113.430 109.723 3.707 19036 8694 1 13 . 1 1 61 61 GLY CA C 61 45.753 45.753 46.033 -0.280 19036 8695 1 13 . 1 1 61 61 GLY H H 61 10.605 10.605 9.116 1.489 19036 8696 1 13 . 1 1 62 62 THR N N 62 108.750 108.750 109.968 -1.218 19036 8697 1 13 . 1 1 62 62 THR HA H 62 4.874 4.874 4.905 -0.031 19036 8698 1 13 . 1 1 62 62 THR CA C 62 59.541 59.541 59.691 -0.151 19036 8699 1 13 . 1 1 62 62 THR CB C 62 72.168 72.168 72.368 -0.200 19036 8700 1 13 . 1 1 62 62 THR H H 62 7.699 7.699 8.298 -0.599 19036 8701 1 13 . 1 1 63 63 ILE N N 63 123.510 123.510 122.991 0.519 19036 8702 1 13 . 1 1 63 63 ILE HA H 63 5.160 5.160 4.622 0.538 19036 8703 1 13 . 1 1 63 63 ILE CA C 63 59.959 59.959 60.410 -0.451 19036 8704 1 13 . 1 1 63 63 ILE CB C 63 39.836 39.836 39.554 0.282 19036 8705 1 13 . 1 1 63 63 ILE H H 63 8.823 8.823 8.065 0.758 19036 8706 1 13 . 1 1 64 64 ASP N N 64 128.370 128.370 127.971 0.399 19036 8707 1 13 . 1 1 64 64 ASP HA H 64 5.463 5.463 5.094 0.369 19036 8708 1 13 . 1 1 64 64 ASP CA C 64 52.257 52.257 53.459 -1.202 19036 8709 1 13 . 1 1 64 64 ASP CB C 64 42.416 42.416 42.322 0.094 19036 8710 1 13 . 1 1 64 64 ASP H H 64 8.946 8.946 8.250 0.696 19036 8711 1 13 . 1 1 65 65 PHE N N 65 118.870 118.870 124.013 -5.143 19036 8712 1 13 . 1 1 65 65 PHE HA H 65 4.028 4.028 3.706 0.322 19036 8713 1 13 . 1 1 65 65 PHE CA C 65 63.404 63.404 63.158 0.246 19036 8714 1 13 . 1 1 65 65 PHE CB C 65 36.123 36.123 36.765 -0.642 19036 8715 1 13 . 1 1 65 65 PHE H H 65 9.000 9.000 8.397 0.603 19036 8716 1 13 . 1 1 66 66 PRO HA H 66 3.918 3.918 3.575 0.343 19036 8717 1 13 . 1 1 66 66 PRO CA C 66 66.799 66.799 66.023 0.776 19036 8718 1 13 . 1 1 66 66 PRO CB C 66 30.789 30.789 30.956 -0.167 19036 8719 1 13 . 1 1 67 67 GLU N N 67 117.930 117.930 118.800 -0.870 19036 8720 1 13 . 1 1 67 67 GLU HA H 67 4.088 4.088 3.930 0.158 19036 8721 1 13 . 1 1 67 67 GLU CA C 67 58.965 58.965 59.272 -0.307 19036 8722 1 13 . 1 1 67 67 GLU CB C 67 29.677 29.677 29.275 0.402 19036 8723 1 13 . 1 1 67 67 GLU H H 67 8.185 8.185 7.653 0.532 19036 8724 1 13 . 1 1 68 68 PHE N N 68 123.830 123.830 121.257 2.573 19036 8725 1 13 . 1 1 68 68 PHE HA H 68 3.957 3.957 4.141 -0.184 19036 8726 1 13 . 1 1 68 68 PHE CA C 68 61.439 61.439 60.754 0.685 19036 8727 1 13 . 1 1 68 68 PHE CB C 68 40.429 40.429 38.962 1.466 19036 8728 1 13 . 1 1 68 68 PHE H H 68 8.794 8.794 8.069 0.725 19036 8729 1 13 . 1 1 69 69 LEU N N 69 119.410 119.410 119.550 -0.140 19036 8730 1 13 . 1 1 69 69 LEU HA H 69 3.394 3.394 3.470 -0.076 19036 8731 1 13 . 1 1 69 69 LEU CA C 69 58.042 58.042 57.863 0.179 19036 8732 1 13 . 1 1 69 69 LEU CB C 69 41.246 41.246 41.152 0.094 19036 8733 1 13 . 1 1 69 69 LEU H H 69 8.662 8.662 8.135 0.527 19036 8734 1 13 . 1 1 70 70 THR N N 70 115.700 115.700 115.286 0.414 19036 8735 1 13 . 1 1 70 70 THR HA H 70 3.783 3.783 3.745 0.038 19036 8736 1 13 . 1 1 70 70 THR CA C 70 66.623 66.623 66.733 -0.110 19036 8737 1 13 . 1 1 70 70 THR CB C 70 68.592 68.592 68.361 0.231 19036 8738 1 13 . 1 1 70 70 THR H H 70 7.744 7.744 7.704 0.040 19036 8739 1 13 . 1 1 71 71 MET N N 71 121.350 121.350 121.694 -0.344 19036 8740 1 13 . 1 1 71 71 MET HA H 71 3.889 3.889 3.877 0.012 19036 8741 1 13 . 1 1 71 71 MET CA C 71 58.859 58.859 59.336 -0.477 19036 8742 1 13 . 1 1 71 71 MET CB C 71 32.676 32.676 32.471 0.205 19036 8743 1 13 . 1 1 71 71 MET H H 71 7.622 7.622 7.378 0.244 19036 8744 1 13 . 1 1 72 72 MET N N 72 117.390 117.390 116.599 0.791 19036 8745 1 13 . 1 1 72 72 MET HA H 72 3.973 3.973 3.784 0.189 19036 8746 1 13 . 1 1 72 72 MET CA C 72 56.030 56.030 57.200 -1.170 19036 8747 1 13 . 1 1 72 72 MET CB C 72 30.934 30.934 31.085 -0.151 19036 8748 1 13 . 1 1 72 72 MET H H 72 8.066 8.066 7.449 0.617 19036 8749 1 13 . 1 1 73 73 ALA N N 73 121.670 121.670 119.843 1.827 19036 8750 1 13 . 1 1 73 73 ALA HA H 73 4.103 4.103 4.263 -0.160 19036 8751 1 13 . 1 1 73 73 ALA CA C 73 54.517 54.517 53.530 0.987 19036 8752 1 13 . 1 1 73 73 ALA CB C 73 18.381 18.381 18.642 -0.261 19036 8753 1 13 . 1 1 73 73 ALA H H 73 8.276 8.276 7.542 0.734 19036 8754 1 13 . 1 1 74 74 ARG N N 74 117.220 117.220 119.787 -2.567 19036 8755 1 13 . 1 1 74 74 ARG HA H 74 4.113 4.113 3.947 0.166 19036 8756 1 13 . 1 1 74 74 ARG CA C 74 58.327 58.327 58.507 -0.180 19036 8757 1 13 . 1 1 74 74 ARG CB C 74 30.378 30.378 29.634 0.744 19036 8758 1 13 . 1 1 74 74 ARG H H 74 7.539 7.539 7.765 -0.226 19036 8759 1 13 . 1 1 75 75 LYS N N 75 119.120 119.120 119.451 -0.331 19036 8760 1 13 . 1 1 75 75 LYS HA H 75 4.261 4.261 4.150 0.111 19036 8761 1 13 . 1 1 75 75 LYS CA C 75 56.990 56.990 59.111 -2.121 19036 8762 1 13 . 1 1 75 75 LYS CB C 75 32.412 32.412 31.920 0.492 19036 8763 1 13 . 1 1 75 75 LYS H H 75 7.833 7.833 7.361 0.472 19036 8764 1 13 . 1 1 76 76 MET N N 76 118.860 118.860 117.162 1.698 19036 8765 1 13 . 1 1 76 76 MET HA H 76 4.370 4.370 4.259 0.111 19036 8766 1 13 . 1 1 76 76 MET CA C 76 56.700 56.700 57.809 -1.109 19036 8767 1 13 . 1 1 76 76 MET CB C 76 32.981 32.981 33.138 -0.157 19036 8768 1 13 . 1 1 76 76 MET H H 76 8.000 8.000 7.656 0.344 19036 8769 1 13 . 1 1 77 77 LYS N N 77 120.200 120.200 115.535 4.665 19036 8770 1 13 . 1 1 77 77 LYS HA H 77 4.352 4.352 4.288 0.064 19036 8771 1 13 . 1 1 77 77 LYS CA C 77 56.709 56.709 56.593 0.116 19036 8772 1 13 . 1 1 77 77 LYS CB C 77 33.138 33.138 33.441 -0.302 19036 8773 1 13 . 1 1 77 77 LYS H H 77 7.866 7.866 7.646 0.220 19036 8774 1 13 . 1 1 78 78 ASP N N 78 121.430 121.430 116.709 4.721 19036 8775 1 13 . 1 1 78 78 ASP HA H 78 4.691 4.691 4.710 -0.019 19036 8776 1 13 . 1 1 78 78 ASP CA C 78 54.771 54.771 53.795 0.976 19036 8777 1 13 . 1 1 78 78 ASP CB C 78 41.222 41.222 43.555 -2.333 19036 8778 1 13 . 1 1 78 78 ASP H H 78 8.250 8.250 7.876 0.374 19036 8779 1 13 . 1 1 79 79 THR N N 79 114.390 114.390 111.534 2.856 19036 8780 1 13 . 1 1 79 79 THR HA H 79 4.337 4.337 4.620 -0.283 19036 8781 1 13 . 1 1 79 79 THR CA C 79 62.349 62.349 61.680 0.669 19036 8782 1 13 . 1 1 79 79 THR CB C 79 69.875 69.875 69.824 0.051 19036 8783 1 13 . 1 1 79 79 THR H H 79 8.093 8.093 8.200 -0.107 19036 8784 1 13 . 1 1 80 80 ASP N N 80 123.460 123.460 123.338 0.122 19036 8785 1 13 . 1 1 80 80 ASP HA H 80 4.721 4.721 4.709 0.012 19036 8786 1 13 . 1 1 80 80 ASP CA C 80 54.655 54.655 54.966 -0.311 19036 8787 1 13 . 1 1 80 80 ASP CB C 80 41.416 41.416 40.713 0.703 19036 8788 1 13 . 1 1 80 80 ASP H H 80 8.455 8.455 8.695 -0.240 19036 8789 1 13 . 1 1 81 81 SER N N 81 117.440 117.440 115.292 2.148 19036 8790 1 13 . 1 1 81 81 SER HA H 81 4.455 4.455 4.335 0.120 19036 8791 1 13 . 1 1 81 81 SER CA C 81 59.571 59.571 59.859 -0.288 19036 8792 1 13 . 1 1 81 81 SER CB C 81 63.825 63.825 62.463 1.362 19036 8793 1 13 . 1 1 81 81 SER H H 81 8.505 8.505 8.545 -0.040 19036 8794 1 13 . 1 1 82 82 GLU N N 82 122.380 122.380 122.602 -0.222 19036 8795 1 13 . 1 1 82 82 GLU HA H 82 4.185 4.185 3.975 0.210 19036 8796 1 13 . 1 1 82 82 GLU CA C 82 58.800 58.800 59.725 -0.925 19036 8797 1 13 . 1 1 82 82 GLU CB C 82 29.660 29.660 29.223 0.437 19036 8798 1 13 . 1 1 82 82 GLU H H 82 8.508 8.508 7.739 0.769 19036 8799 1 13 . 1 1 83 83 GLU N N 83 119.670 119.670 118.249 1.421 19036 8800 1 13 . 1 1 83 83 GLU HA H 83 4.085 4.085 4.061 0.024 19036 8801 1 13 . 1 1 83 83 GLU CA C 83 59.576 59.576 59.508 0.068 19036 8802 1 13 . 1 1 83 83 GLU CB C 83 29.410 29.410 29.220 0.190 19036 8803 1 13 . 1 1 83 83 GLU H H 83 8.297 8.297 7.751 0.546 19036 8804 1 13 . 1 1 84 84 GLU N N 84 118.700 118.700 119.934 -1.234 19036 8805 1 13 . 1 1 84 84 GLU HA H 84 4.135 4.135 4.130 0.005 19036 8806 1 13 . 1 1 84 84 GLU CA C 84 59.523 59.523 59.475 0.048 19036 8807 1 13 . 1 1 84 84 GLU CB C 84 29.607 29.607 29.291 0.316 19036 8808 1 13 . 1 1 84 84 GLU H H 84 8.218 8.218 7.494 0.724 19036 8809 1 13 . 1 1 85 85 ILE N N 85 121.500 121.500 120.109 1.391 19036 8810 1 13 . 1 1 85 85 ILE HA H 85 3.981 3.981 3.790 0.191 19036 8811 1 13 . 1 1 85 85 ILE CA C 85 64.941 64.941 66.045 -1.104 19036 8812 1 13 . 1 1 85 85 ILE CB C 85 37.484 37.484 37.687 -0.203 19036 8813 1 13 . 1 1 85 85 ILE H H 85 7.980 7.980 8.279 -0.299 19036 8814 1 13 . 1 1 86 86 ARG N N 86 121.710 121.710 118.654 3.056 19036 8815 1 13 . 1 1 86 86 ARG HA H 86 4.186 4.186 4.242 -0.056 19036 8816 1 13 . 1 1 86 86 ARG CA C 86 60.202 60.202 59.733 0.469 19036 8817 1 13 . 1 1 86 86 ARG CB C 86 30.026 30.026 30.195 -0.169 19036 8818 1 13 . 1 1 86 86 ARG H H 86 8.471 8.471 7.861 0.610 19036 8819 1 13 . 1 1 87 87 GLU N N 87 118.710 118.710 119.680 -0.970 19036 8820 1 13 . 1 1 87 87 GLU HA H 87 4.179 4.179 4.211 -0.032 19036 8821 1 13 . 1 1 87 87 GLU CA C 87 58.995 58.995 58.637 0.358 19036 8822 1 13 . 1 1 87 87 GLU CB C 87 29.201 29.201 29.476 -0.275 19036 8823 1 13 . 1 1 87 87 GLU H H 87 8.211 8.211 7.951 0.260 19036 8824 1 13 . 1 1 88 88 ALA N N 88 121.910 121.910 122.452 -0.542 19036 8825 1 13 . 1 1 88 88 ALA HA H 88 4.180 4.180 4.181 -0.001 19036 8826 1 13 . 1 1 88 88 ALA CA C 88 55.275 55.275 55.450 -0.175 19036 8827 1 13 . 1 1 88 88 ALA CB C 88 17.936 17.936 18.527 -0.591 19036 8828 1 13 . 1 1 88 88 ALA H H 88 8.037 8.037 8.904 -0.867 19036 8829 1 13 . 1 1 89 89 PHE N N 89 118.790 118.790 119.273 -0.483 19036 8830 1 13 . 1 1 89 89 PHE HA H 89 3.188 3.188 3.798 -0.610 19036 8831 1 13 . 1 1 89 89 PHE CA C 89 62.283 62.283 61.469 0.814 19036 8832 1 13 . 1 1 89 89 PHE CB C 89 39.238 39.238 39.113 0.125 19036 8833 1 13 . 1 1 89 89 PHE H H 89 8.623 8.623 8.032 0.591 19036 8834 1 13 . 1 1 90 90 ARG N N 90 115.890 115.890 119.436 -3.546 19036 8835 1 13 . 1 1 90 90 ARG HA H 90 3.906 3.906 4.154 -0.248 19036 8836 1 13 . 1 1 90 90 ARG CA C 90 58.950 58.950 59.662 -0.712 19036 8837 1 13 . 1 1 90 90 ARG CB C 90 30.414 30.414 30.103 0.311 19036 8838 1 13 . 1 1 90 90 ARG H H 90 7.775 7.775 7.781 -0.006 19036 8839 1 13 . 1 1 91 91 VAL N N 91 118.320 118.320 117.260 1.060 19036 8840 1 13 . 1 1 91 91 VAL HA H 91 3.515 3.515 3.781 -0.266 19036 8841 1 13 . 1 1 91 91 VAL CA C 91 65.726 65.726 64.829 0.897 19036 8842 1 13 . 1 1 91 91 VAL CB C 91 31.579 31.579 31.507 0.072 19036 8843 1 13 . 1 1 91 91 VAL H H 91 7.538 7.538 7.369 0.169 19036 8844 1 13 . 1 1 92 92 PHE N N 92 115.750 115.750 116.992 -1.242 19036 8845 1 13 . 1 1 92 92 PHE HA H 92 4.247 4.247 4.159 0.088 19036 8846 1 13 . 1 1 92 92 PHE CA C 92 60.241 60.241 60.862 -0.621 19036 8847 1 13 . 1 1 92 92 PHE CB C 92 40.951 40.951 39.283 1.668 19036 8848 1 13 . 1 1 92 92 PHE H H 92 7.381 7.381 7.908 -0.527 19036 8849 1 13 . 1 1 93 93 ASP N N 93 116.590 116.590 118.350 -1.760 19036 8850 1 13 . 1 1 93 93 ASP HA H 93 4.590 4.590 4.714 -0.124 19036 8851 1 13 . 1 1 93 93 ASP CA C 93 52.466 52.466 52.944 -0.478 19036 8852 1 13 . 1 1 93 93 ASP CB C 93 38.478 38.478 39.571 -1.093 19036 8853 1 13 . 1 1 93 93 ASP H H 93 7.900 7.900 8.038 -0.138 19036 8854 1 13 . 1 1 94 94 LYS N N 94 126.160 126.160 125.257 0.903 19036 8855 1 13 . 1 1 94 94 LYS HA H 94 3.945 3.945 3.985 -0.040 19036 8856 1 13 . 1 1 94 94 LYS CA C 94 59.072 59.072 58.507 0.565 19036 8857 1 13 . 1 1 94 94 LYS CB C 94 32.589 32.589 32.730 -0.141 19036 8858 1 13 . 1 1 94 94 LYS H H 94 7.790 7.790 7.900 -0.110 19036 8859 1 13 . 1 1 95 95 ASP N N 95 114.060 114.060 116.305 -2.245 19036 8860 1 13 . 1 1 95 95 ASP HA H 95 4.579 4.579 4.497 0.082 19036 8861 1 13 . 1 1 95 95 ASP CA C 95 53.120 53.120 54.861 -1.740 19036 8862 1 13 . 1 1 95 95 ASP CB C 95 40.043 40.043 40.696 -0.653 19036 8863 1 13 . 1 1 95 95 ASP H H 95 8.237 8.237 8.957 -0.720 19036 8864 1 13 . 1 1 96 96 GLY N N 96 109.410 109.410 108.068 1.342 19036 8865 1 13 . 1 1 96 96 GLY CA C 96 47.263 47.263 45.885 1.378 19036 8866 1 13 . 1 1 96 96 GLY H H 96 7.839 7.839 8.577 -0.738 19036 8867 1 13 . 1 1 97 97 ASN N N 97 119.630 119.630 120.238 -0.608 19036 8868 1 13 . 1 1 97 97 ASN HA H 97 4.659 4.659 4.665 -0.006 19036 8869 1 13 . 1 1 97 97 ASN CA C 97 52.681 52.681 52.839 -0.158 19036 8870 1 13 . 1 1 97 97 ASN CB C 97 38.311 38.311 38.765 -0.454 19036 8871 1 13 . 1 1 97 97 ASN H H 97 8.377 8.377 8.337 0.040 19036 8872 1 13 . 1 1 98 98 GLY N N 98 112.970 112.970 107.333 5.637 19036 8873 1 13 . 1 1 98 98 GLY CA C 98 45.183 45.183 45.647 -0.464 19036 8874 1 13 . 1 1 98 98 GLY H H 98 10.687 10.687 8.627 2.060 19036 8875 1 13 . 1 1 99 99 TYR N N 99 116.080 116.080 118.561 -2.481 19036 8876 1 13 . 1 1 99 99 TYR HA H 99 5.065 5.065 5.200 -0.135 19036 8877 1 13 . 1 1 99 99 TYR CA C 99 56.198 56.198 57.145 -0.947 19036 8878 1 13 . 1 1 99 99 TYR CB C 99 43.110 43.110 42.005 1.105 19036 8879 1 13 . 1 1 99 99 TYR H H 99 7.671 7.671 8.564 -0.893 19036 8880 1 13 . 1 1 100 100 ILE N N 100 127.320 127.320 124.069 3.251 19036 8881 1 13 . 1 1 100 100 ILE HA H 100 4.780 4.780 4.564 0.216 19036 8882 1 13 . 1 1 100 100 ILE CA C 100 60.731 60.731 60.414 0.317 19036 8883 1 13 . 1 1 100 100 ILE CB C 100 39.050 39.050 39.235 -0.185 19036 8884 1 13 . 1 1 100 100 ILE H H 100 10.163 10.163 8.899 1.264 19036 8885 1 13 . 1 1 101 101 SER N N 101 123.810 123.810 122.698 1.112 19036 8886 1 13 . 1 1 101 101 SER HA H 101 4.898 4.898 4.875 0.023 19036 8887 1 13 . 1 1 101 101 SER CA C 101 55.840 55.840 56.078 -0.238 19036 8888 1 13 . 1 1 101 101 SER CB C 101 66.799 66.799 66.157 0.642 19036 8889 1 13 . 1 1 101 101 SER H H 101 8.970 8.970 8.113 0.857 19036 8890 1 13 . 1 1 102 102 ALA N N 102 123.130 123.130 123.591 -0.461 19036 8891 1 13 . 1 1 102 102 ALA HA H 102 3.927 3.927 3.989 -0.062 19036 8892 1 13 . 1 1 102 102 ALA CA C 102 56.023 56.023 55.303 0.720 19036 8893 1 13 . 1 1 102 102 ALA CB C 102 18.139 18.139 18.400 -0.261 19036 8894 1 13 . 1 1 102 102 ALA H H 102 9.269 9.269 8.935 0.334 19036 8895 1 13 . 1 1 103 103 ALA N N 103 118.460 118.460 120.636 -2.176 19036 8896 1 13 . 1 1 103 103 ALA HA H 103 4.058 4.058 4.099 -0.041 19036 8897 1 13 . 1 1 103 103 ALA CA C 103 55.250 55.250 54.797 0.453 19036 8898 1 13 . 1 1 103 103 ALA CB C 103 18.492 18.492 18.115 0.377 19036 8899 1 13 . 1 1 103 103 ALA H H 103 8.294 8.294 8.453 -0.159 19036 8900 1 13 . 1 1 104 104 GLU N N 104 120.070 120.070 119.047 1.023 19036 8901 1 13 . 1 1 104 104 GLU HA H 104 4.073 4.073 4.023 0.050 19036 8902 1 13 . 1 1 104 104 GLU CA C 104 59.567 59.567 59.116 0.451 19036 8903 1 13 . 1 1 104 104 GLU CB C 104 29.262 29.262 29.507 -0.245 19036 8904 1 13 . 1 1 104 104 GLU H H 104 7.939 7.939 7.722 0.217 19036 8905 1 13 . 1 1 105 105 LEU N N 105 120.990 120.990 120.109 0.881 19036 8906 1 13 . 1 1 105 105 LEU HA H 105 4.133 4.133 4.094 0.039 19036 8907 1 13 . 1 1 105 105 LEU CA C 105 58.618 58.618 58.502 0.116 19036 8908 1 13 . 1 1 105 105 LEU CB C 105 42.210 42.210 41.989 0.221 19036 8909 1 13 . 1 1 105 105 LEU H H 105 8.534 8.534 7.564 0.970 19036 8910 1 13 . 1 1 106 106 ARG N N 106 117.580 117.580 118.240 -0.660 19036 8911 1 13 . 1 1 106 106 ARG HA H 106 3.832 3.832 4.018 -0.186 19036 8912 1 13 . 1 1 106 106 ARG CA C 106 60.041 60.041 59.664 0.377 19036 8913 1 13 . 1 1 106 106 ARG CB C 106 30.648 30.648 29.998 0.650 19036 8914 1 13 . 1 1 106 106 ARG H H 106 8.667 8.667 7.838 0.829 19036 8915 1 13 . 1 1 107 107 HIS N N 107 118.880 118.880 119.666 -0.786 19036 8916 1 13 . 1 1 107 107 HIS HA H 107 4.338 4.338 4.322 0.016 19036 8917 1 13 . 1 1 107 107 HIS CA C 107 59.771 59.771 58.965 0.806 19036 8918 1 13 . 1 1 107 107 HIS CB C 107 30.491 30.491 29.650 0.841 19036 8919 1 13 . 1 1 107 107 HIS H H 107 8.071 8.071 7.789 0.282 19036 8920 1 13 . 1 1 108 108 VAL N N 108 119.170 119.170 119.129 0.041 19036 8921 1 13 . 1 1 108 108 VAL HA H 108 3.556 3.556 3.444 0.112 19036 8922 1 13 . 1 1 108 108 VAL CA C 108 66.580 66.580 66.423 0.157 19036 8923 1 13 . 1 1 108 108 VAL CB C 108 31.920 31.920 31.432 0.488 19036 8924 1 13 . 1 1 108 108 VAL H H 108 8.107 8.107 7.652 0.455 19036 8925 1 13 . 1 1 109 109 MET N N 109 116.290 116.290 117.967 -1.677 19036 8926 1 13 . 1 1 109 109 MET HA H 109 4.326 4.326 4.106 0.220 19036 8927 1 13 . 1 1 109 109 MET CA C 109 57.824 57.824 59.459 -1.635 19036 8928 1 13 . 1 1 109 109 MET CB C 109 31.052 31.052 32.545 -1.493 19036 8929 1 13 . 1 1 109 109 MET H H 109 8.280 8.280 7.946 0.334 19036 8930 1 13 . 1 1 110 110 THR N N 110 115.190 115.190 116.785 -1.595 19036 8931 1 13 . 1 1 110 110 THR HA H 110 4.166 4.166 4.208 -0.042 19036 8932 1 13 . 1 1 110 110 THR CA C 110 66.182 66.182 66.857 -0.675 19036 8933 1 13 . 1 1 110 110 THR CB C 110 68.951 68.951 68.701 0.250 19036 8934 1 13 . 1 1 110 110 THR H H 110 8.244 8.244 7.939 0.305 19036 8935 1 13 . 1 1 111 111 ASN N N 111 122.310 122.310 119.747 2.563 19036 8936 1 13 . 1 1 111 111 ASN HA H 111 4.502 4.502 4.520 -0.018 19036 8937 1 13 . 1 1 111 111 ASN CA C 111 55.931 55.931 55.553 0.378 19036 8938 1 13 . 1 1 111 111 ASN CB C 111 38.585 38.585 38.108 0.477 19036 8939 1 13 . 1 1 111 111 ASN H H 111 7.904 7.904 7.862 0.042 19036 8940 1 13 . 1 1 112 112 LEU N N 112 118.850 118.850 118.278 0.572 19036 8941 1 13 . 1 1 112 112 LEU HA H 112 4.354 4.354 4.497 -0.143 19036 8942 1 13 . 1 1 112 112 LEU CA C 112 55.274 55.274 54.597 0.677 19036 8943 1 13 . 1 1 112 112 LEU CB C 112 42.218 42.218 41.737 0.481 19036 8944 1 13 . 1 1 112 112 LEU H H 112 7.873 7.873 7.334 0.539 19036 8945 1 13 . 1 1 113 113 GLY N N 113 106.700 106.700 107.752 -1.052 19036 8946 1 13 . 1 1 113 113 GLY CA C 113 45.596 45.596 45.243 0.353 19036 8947 1 13 . 1 1 113 113 GLY H H 113 7.844 7.844 7.804 0.040 19036 8948 1 13 . 1 1 114 114 GLU N N 114 120.140 120.140 121.123 -0.983 19036 8949 1 13 . 1 1 114 114 GLU HA H 114 4.459 4.459 4.520 -0.061 19036 8950 1 13 . 1 1 114 114 GLU CA C 114 55.046 55.046 55.518 -0.472 19036 8951 1 13 . 1 1 114 114 GLU CB C 114 30.469 30.469 31.685 -1.216 19036 8952 1 13 . 1 1 114 114 GLU H H 114 7.946 7.946 7.757 0.189 19036 8953 1 13 . 1 1 115 115 LYS N N 115 124.130 124.130 123.074 1.056 19036 8954 1 13 . 1 1 115 115 LYS HA H 115 4.394 4.394 4.583 -0.189 19036 8955 1 13 . 1 1 115 115 LYS CA C 115 55.794 55.794 55.985 -0.191 19036 8956 1 13 . 1 1 115 115 LYS CB C 115 32.191 32.191 33.715 -1.524 19036 8957 1 13 . 1 1 115 115 LYS H H 115 8.646 8.646 8.516 0.130 19036 8958 1 13 . 1 1 116 116 LEU N N 116 124.840 124.840 125.072 -0.232 19036 8959 1 13 . 1 1 116 116 LEU HA H 116 4.793 4.793 4.807 -0.014 19036 8960 1 13 . 1 1 116 116 LEU CA C 116 54.127 54.127 53.011 1.116 19036 8961 1 13 . 1 1 116 116 LEU CB C 116 44.934 44.934 43.780 1.154 19036 8962 1 13 . 1 1 116 116 LEU H H 116 8.097 8.097 8.252 -0.155 19036 8963 1 13 . 1 1 117 117 THR N N 117 114.690 114.690 110.836 3.854 19036 8964 1 13 . 1 1 117 117 THR HA H 117 4.492 4.492 4.545 -0.053 19036 8965 1 13 . 1 1 117 117 THR CA C 117 60.751 60.751 60.839 -0.088 19036 8966 1 13 . 1 1 117 117 THR CB C 117 71.303 71.303 71.178 0.125 19036 8967 1 13 . 1 1 117 117 THR H H 117 9.252 9.252 7.930 1.322 19036 8968 1 13 . 1 1 118 118 ASP N N 118 121.130 121.130 122.558 -1.428 19036 8969 1 13 . 1 1 118 118 ASP HA H 118 4.232 4.232 4.364 -0.132 19036 8970 1 13 . 1 1 118 118 ASP CA C 118 58.080 58.080 57.681 0.399 19036 8971 1 13 . 1 1 118 118 ASP CB C 118 39.870 39.870 40.383 -0.513 19036 8972 1 13 . 1 1 118 118 ASP H H 118 8.936 8.936 8.949 -0.013 19036 8973 1 13 . 1 1 119 119 GLU N N 119 119.110 119.110 119.251 -0.141 19036 8974 1 13 . 1 1 119 119 GLU HA H 119 4.117 4.117 4.080 0.037 19036 8975 1 13 . 1 1 119 119 GLU CA C 119 60.043 60.043 59.581 0.462 19036 8976 1 13 . 1 1 119 119 GLU CB C 119 29.135 29.135 29.159 -0.024 19036 8977 1 13 . 1 1 119 119 GLU H H 119 8.715 8.715 8.794 -0.079 19036 8978 1 13 . 1 1 120 120 GLU N N 120 120.680 120.680 119.552 1.128 19036 8979 1 13 . 1 1 120 120 GLU HA H 120 4.062 4.062 4.155 -0.093 19036 8980 1 13 . 1 1 120 120 GLU CA C 120 59.138 59.138 59.022 0.116 19036 8981 1 13 . 1 1 120 120 GLU CB C 120 30.420 30.420 29.549 0.871 19036 8982 1 13 . 1 1 120 120 GLU H H 120 7.809 7.809 7.548 0.261 19036 8983 1 13 . 1 1 121 121 VAL N N 121 120.660 120.660 119.757 0.903 19036 8984 1 13 . 1 1 121 121 VAL HA H 121 3.637 3.637 3.631 0.006 19036 8985 1 13 . 1 1 121 121 VAL CA C 121 67.003 67.003 67.469 -0.466 19036 8986 1 13 . 1 1 121 121 VAL CB C 121 31.463 31.463 31.884 -0.421 19036 8987 1 13 . 1 1 121 121 VAL H H 121 8.079 8.079 7.982 0.097 19036 8988 1 13 . 1 1 122 122 ASP N N 122 119.590 119.590 120.320 -0.730 19036 8989 1 13 . 1 1 122 122 ASP HA H 122 4.349 4.349 4.335 0.014 19036 8990 1 13 . 1 1 122 122 ASP CA C 122 57.718 57.718 57.725 -0.007 19036 8991 1 13 . 1 1 122 122 ASP CB C 122 40.593 40.593 40.748 -0.155 19036 8992 1 13 . 1 1 122 122 ASP H H 122 8.124 8.124 8.607 -0.483 19036 8993 1 13 . 1 1 123 123 GLU N N 123 119.760 119.760 119.461 0.299 19036 8994 1 13 . 1 1 123 123 GLU HA H 123 4.051 4.051 3.991 0.060 19036 8995 1 13 . 1 1 123 123 GLU CA C 123 59.144 59.144 59.003 0.141 19036 8996 1 13 . 1 1 123 123 GLU CB C 123 29.161 29.161 29.573 -0.412 19036 8997 1 13 . 1 1 123 123 GLU H H 123 8.034 8.034 8.256 -0.222 19036 8998 1 13 . 1 1 124 124 MET N N 124 119.580 119.580 120.712 -1.132 19036 8999 1 13 . 1 1 124 124 MET HA H 124 4.024 4.024 4.133 -0.109 19036 9000 1 13 . 1 1 124 124 MET CA C 124 59.353 59.353 59.161 0.192 19036 9001 1 13 . 1 1 124 124 MET CB C 124 33.497 33.497 32.779 0.718 19036 9002 1 13 . 1 1 124 124 MET H H 124 7.871 7.871 7.511 0.360 19036 9003 1 13 . 1 1 125 125 ILE N N 125 118.210 118.210 119.457 -1.247 19036 9004 1 13 . 1 1 125 125 ILE HA H 125 3.524 3.524 3.655 -0.131 19036 9005 1 13 . 1 1 125 125 ILE CA C 125 63.855 63.855 65.165 -1.310 19036 9006 1 13 . 1 1 125 125 ILE CB C 125 36.457 36.457 37.075 -0.618 19036 9007 1 13 . 1 1 125 125 ILE H H 125 7.953 7.953 7.671 0.282 19036 9008 1 13 . 1 1 126 126 ARG N N 126 118.420 118.420 120.134 -1.714 19036 9009 1 13 . 1 1 126 126 ARG HA H 126 4.038 4.038 3.948 0.090 19036 9010 1 13 . 1 1 126 126 ARG CA C 126 59.809 59.809 59.466 0.343 19036 9011 1 13 . 1 1 126 126 ARG CB C 126 30.311 30.311 30.412 -0.101 19036 9012 1 13 . 1 1 126 126 ARG H H 126 8.228 8.228 7.834 0.394 19036 9013 1 13 . 1 1 127 127 GLU N N 127 115.830 115.830 117.255 -1.425 19036 9014 1 13 . 1 1 127 127 GLU HA H 127 4.026 4.026 4.186 -0.160 19036 9015 1 13 . 1 1 127 127 GLU CA C 127 58.489 58.489 58.491 -0.002 19036 9016 1 13 . 1 1 127 127 GLU CB C 127 29.435 29.435 30.035 -0.600 19036 9017 1 13 . 1 1 127 127 GLU H H 127 7.950 7.950 8.042 -0.092 19036 9018 1 13 . 1 1 128 128 ALA N N 128 119.010 119.010 119.552 -0.542 19036 9019 1 13 . 1 1 128 128 ALA HA H 128 4.444 4.444 4.219 0.225 19036 9020 1 13 . 1 1 128 128 ALA CA C 128 52.125 52.125 52.530 -0.405 19036 9021 1 13 . 1 1 128 128 ALA CB C 128 21.322 21.322 19.688 1.634 19036 9022 1 13 . 1 1 128 128 ALA H H 128 7.386 7.386 7.739 -0.353 19036 9023 1 13 . 1 1 129 129 ASP N N 129 117.790 117.790 119.043 -1.253 19036 9024 1 13 . 1 1 129 129 ASP HA H 129 4.516 4.516 4.523 -0.007 19036 9025 1 13 . 1 1 129 129 ASP CA C 129 54.190 54.190 54.520 -0.330 19036 9026 1 13 . 1 1 129 129 ASP CB C 129 40.587 40.587 40.061 0.526 19036 9027 1 13 . 1 1 129 129 ASP H H 129 7.913 7.913 7.813 0.100 19036 9028 1 13 . 1 1 130 130 ILE N N 130 127.770 127.770 125.169 2.601 19036 9029 1 13 . 1 1 130 130 ILE HA H 130 3.938 3.938 4.053 -0.115 19036 9030 1 13 . 1 1 130 130 ILE CA C 130 63.431 63.431 62.677 0.754 19036 9031 1 13 . 1 1 130 130 ILE CB C 130 38.748 38.748 38.606 0.142 19036 9032 1 13 . 1 1 130 130 ILE H H 130 8.332 8.332 8.214 0.118 19036 9033 1 13 . 1 1 131 131 ASP N N 131 116.680 116.680 119.497 -2.817 19036 9034 1 13 . 1 1 131 131 ASP HA H 131 4.493 4.493 4.502 -0.009 19036 9035 1 13 . 1 1 131 131 ASP CA C 131 53.734 53.734 54.673 -0.939 19036 9036 1 13 . 1 1 131 131 ASP CB C 131 40.062 40.062 41.297 -1.234 19036 9037 1 13 . 1 1 131 131 ASP H H 131 8.371 8.371 8.951 -0.580 19036 9038 1 13 . 1 1 132 132 GLY N N 132 108.680 108.680 108.646 0.034 19036 9039 1 13 . 1 1 132 132 GLY CA C 132 47.587 47.587 45.321 2.266 19036 9040 1 13 . 1 1 132 132 GLY H H 132 7.636 7.636 8.489 -0.853 19036 9041 1 13 . 1 1 133 133 ASP N N 133 120.930 120.930 120.946 -0.016 19036 9042 1 13 . 1 1 133 133 ASP HA H 133 4.530 4.530 4.559 -0.029 19036 9043 1 13 . 1 1 133 133 ASP CA C 133 53.845 53.845 53.610 0.235 19036 9044 1 13 . 1 1 133 133 ASP CB C 133 40.322 40.322 40.848 -0.526 19036 9045 1 13 . 1 1 133 133 ASP H H 133 8.378 8.378 8.998 -0.620 19036 9046 1 13 . 1 1 134 134 GLY N N 134 112.990 112.990 108.770 4.220 19036 9047 1 13 . 1 1 134 134 GLY CA C 134 45.855 45.855 45.458 0.397 19036 9048 1 13 . 1 1 134 134 GLY H H 134 10.401 10.401 9.029 1.372 19036 9049 1 13 . 1 1 135 135 GLN N N 135 115.490 115.490 117.575 -2.085 19036 9050 1 13 . 1 1 135 135 GLN HA H 135 4.887 4.887 4.673 0.214 19036 9051 1 13 . 1 1 135 135 GLN CA C 135 53.289 53.289 54.052 -0.763 19036 9052 1 13 . 1 1 135 135 GLN CB C 135 32.515 32.515 33.495 -0.980 19036 9053 1 13 . 1 1 135 135 GLN H H 135 8.007 8.007 8.554 -0.547 19036 9054 1 13 . 1 1 136 136 VAL N N 136 125.480 125.480 122.502 2.978 19036 9055 1 13 . 1 1 136 136 VAL HA H 136 5.213 5.213 4.648 0.565 19036 9056 1 13 . 1 1 136 136 VAL CA C 136 61.784 61.784 61.968 -0.184 19036 9057 1 13 . 1 1 136 136 VAL CB C 136 33.839 33.839 32.466 1.373 19036 9058 1 13 . 1 1 136 136 VAL H H 136 9.167 9.167 8.046 1.121 19036 9059 1 13 . 1 1 137 137 ASN N N 137 129.140 129.140 125.460 3.680 19036 9060 1 13 . 1 1 137 137 ASN HA H 137 5.288 5.288 5.022 0.266 19036 9061 1 13 . 1 1 137 137 ASN CA C 137 51.176 51.176 50.648 0.528 19036 9062 1 13 . 1 1 137 137 ASN CB C 137 38.446 38.446 39.724 -1.278 19036 9063 1 13 . 1 1 137 137 ASN H H 137 9.576 9.576 8.515 1.061 19036 9064 1 13 . 1 1 138 138 TYR N N 138 118.600 118.600 120.483 -1.883 19036 9065 1 13 . 1 1 138 138 TYR HA H 138 3.456 3.456 4.061 -0.605 19036 9066 1 13 . 1 1 138 138 TYR CA C 138 62.842 62.842 63.903 -1.061 19036 9067 1 13 . 1 1 138 138 TYR CB C 138 37.805 37.805 38.093 -0.288 19036 9068 1 13 . 1 1 138 138 TYR H H 138 8.464 8.464 8.644 -0.180 19036 9069 1 13 . 1 1 139 139 GLU N N 139 118.470 118.470 119.090 -0.620 19036 9070 1 13 . 1 1 139 139 GLU HA H 139 3.686 3.686 3.906 -0.220 19036 9071 1 13 . 1 1 139 139 GLU CA C 139 60.456 60.456 60.553 -0.097 19036 9072 1 13 . 1 1 139 139 GLU CB C 139 29.008 29.008 28.957 0.051 19036 9073 1 13 . 1 1 139 139 GLU H H 139 8.152 8.152 8.950 -0.798 19036 9074 1 13 . 1 1 140 140 GLU N N 140 119.970 119.970 120.035 -0.065 19036 9075 1 13 . 1 1 140 140 GLU HA H 140 4.025 4.025 4.079 -0.054 19036 9076 1 13 . 1 1 140 140 GLU CA C 140 58.655 58.655 59.002 -0.347 19036 9077 1 13 . 1 1 140 140 GLU CB C 140 29.868 29.868 29.482 0.386 19036 9078 1 13 . 1 1 140 140 GLU H H 140 8.815 8.815 8.197 0.618 19036 9079 1 13 . 1 1 141 141 PHE N N 141 124.860 124.860 121.365 3.495 19036 9080 1 13 . 1 1 141 141 PHE HA H 141 4.000 4.000 4.199 -0.199 19036 9081 1 13 . 1 1 141 141 PHE CA C 141 61.733 61.733 61.281 0.452 19036 9082 1 13 . 1 1 141 141 PHE CB C 141 40.089 40.089 39.346 0.743 19036 9083 1 13 . 1 1 141 141 PHE H H 141 8.927 8.927 8.695 0.232 19036 9084 1 13 . 1 1 142 142 VAL N N 142 119.400 119.400 118.663 0.737 19036 9085 1 13 . 1 1 142 142 VAL HA H 142 3.152 3.152 3.494 -0.342 19036 9086 1 13 . 1 1 142 142 VAL CA C 142 67.139 67.139 65.390 1.749 19036 9087 1 13 . 1 1 142 142 VAL CB C 142 31.622 31.622 31.136 0.486 19036 9088 1 13 . 1 1 142 142 VAL H H 142 8.635 8.635 8.775 -0.140 19036 9089 1 13 . 1 1 143 143 GLN N N 143 118.420 118.420 118.711 -0.291 19036 9090 1 13 . 1 1 143 143 GLN HA H 143 3.902 3.902 3.995 -0.093 19036 9091 1 13 . 1 1 143 143 GLN CA C 143 58.894 58.894 58.299 0.595 19036 9092 1 13 . 1 1 143 143 GLN CB C 143 28.186 28.186 28.449 -0.263 19036 9093 1 13 . 1 1 143 143 GLN H H 143 7.516 7.516 7.681 -0.165 19036 9094 1 13 . 1 1 144 144 MET N N 144 119.410 119.410 115.677 3.733 19036 9095 1 13 . 1 1 144 144 MET HA H 144 4.113 4.113 4.217 -0.104 19036 9096 1 13 . 1 1 144 144 MET CA C 144 58.360 58.360 56.938 1.422 19036 9097 1 13 . 1 1 144 144 MET CB C 144 33.188 33.188 32.371 0.817 19036 9098 1 13 . 1 1 144 144 MET H H 144 7.867 7.867 7.659 0.208 19036 9099 1 13 . 1 1 145 145 MET N N 145 114.770 114.770 116.206 -1.436 19036 9100 1 13 . 1 1 145 145 MET HA H 145 4.263 4.263 4.253 0.010 19036 9101 1 13 . 1 1 145 145 MET CA C 145 55.607 55.607 58.224 -2.618 19036 9102 1 13 . 1 1 145 145 MET CB C 145 32.224 32.224 32.797 -0.573 19036 9103 1 13 . 1 1 145 145 MET H H 145 7.796 7.796 7.403 0.393 19036 9104 1 13 . 1 1 146 146 THR N N 146 111.500 111.500 116.261 -4.761 19036 9105 1 13 . 1 1 146 146 THR HA H 146 4.325 4.325 4.187 0.138 19036 9106 1 13 . 1 1 146 146 THR CA C 146 62.420 62.420 62.630 -0.210 19036 9107 1 13 . 1 1 146 146 THR CB C 146 70.327 70.327 66.654 3.672 19036 9108 1 13 . 1 1 146 146 THR H H 146 7.591 7.591 7.718 -0.127 19036 9109 1 13 . 1 1 147 147 ALA N N 147 127.110 127.110 124.272 2.838 19036 9110 1 13 . 1 1 147 147 ALA HA H 147 4.319 4.319 4.547 -0.228 19036 9111 1 13 . 1 1 147 147 ALA CA C 147 52.991 52.991 50.884 2.107 19036 9112 1 13 . 1 1 147 147 ALA CB C 147 19.162 19.162 20.887 -1.725 19036 9113 1 13 . 1 1 147 147 ALA H H 147 7.827 7.827 7.912 -0.085 19036 9114 1 14 . 1 1 2 2 ASP HA H 2 4.654 4.654 4.718 -0.064 19036 9115 1 14 . 1 1 2 2 ASP CA C 2 54.799 54.799 54.648 0.151 19036 9116 1 14 . 1 1 2 2 ASP CB C 2 41.496 41.496 41.272 0.224 19036 9117 1 14 . 1 1 3 3 GLN N N 3 119.900 119.900 118.842 1.058 19036 9118 1 14 . 1 1 3 3 GLN HA H 3 4.399 4.399 4.495 -0.096 19036 9119 1 14 . 1 1 3 3 GLN CA C 3 55.646 55.646 55.034 0.612 19036 9120 1 14 . 1 1 3 3 GLN CB C 3 29.996 29.996 31.020 -1.024 19036 9121 1 14 . 1 1 3 3 GLN H H 3 8.385 8.385 7.675 0.710 19036 9122 1 14 . 1 1 4 4 LEU N N 4 123.270 123.270 123.184 0.086 19036 9123 1 14 . 1 1 4 4 LEU HA H 4 4.681 4.681 4.572 0.109 19036 9124 1 14 . 1 1 4 4 LEU CA C 4 54.516 54.516 54.688 -0.172 19036 9125 1 14 . 1 1 4 4 LEU CB C 4 43.666 43.666 43.312 0.354 19036 9126 1 14 . 1 1 4 4 LEU H H 4 8.351 8.351 8.274 0.077 19036 9127 1 14 . 1 1 5 5 THR N N 5 113.150 113.150 113.308 -0.158 19036 9128 1 14 . 1 1 5 5 THR HA H 5 4.479 4.479 4.600 -0.121 19036 9129 1 14 . 1 1 5 5 THR CA C 5 60.553 60.553 60.504 0.049 19036 9130 1 14 . 1 1 5 5 THR CB C 5 71.232 71.232 71.658 -0.426 19036 9131 1 14 . 1 1 5 5 THR H H 5 8.764 8.764 8.054 0.710 19036 9132 1 14 . 1 1 6 6 GLU N N 6 120.490 120.490 122.210 -1.720 19036 9133 1 14 . 1 1 6 6 GLU HA H 6 3.994 3.994 3.929 0.065 19036 9134 1 14 . 1 1 6 6 GLU CA C 6 60.091 60.091 59.393 0.698 19036 9135 1 14 . 1 1 6 6 GLU CB C 6 29.307 29.307 29.456 -0.149 19036 9136 1 14 . 1 1 6 6 GLU H H 6 9.066 9.066 8.974 0.092 19036 9137 1 14 . 1 1 7 7 GLU N N 7 119.640 119.640 118.376 1.264 19036 9138 1 14 . 1 1 7 7 GLU HA H 7 4.081 4.081 3.992 0.089 19036 9139 1 14 . 1 1 7 7 GLU CA C 7 60.055 60.055 58.646 1.409 19036 9140 1 14 . 1 1 7 7 GLU CB C 7 29.194 29.194 29.150 0.044 19036 9141 1 14 . 1 1 7 7 GLU H H 7 8.769 8.769 8.520 0.249 19036 9142 1 14 . 1 1 8 8 GLN N N 8 120.420 120.420 118.825 1.595 19036 9143 1 14 . 1 1 8 8 GLN HA H 8 3.857 3.857 3.869 -0.012 19036 9144 1 14 . 1 1 8 8 GLN CA C 8 58.691 58.691 58.436 0.255 19036 9145 1 14 . 1 1 8 8 GLN CB C 8 29.295 29.295 28.149 1.146 19036 9146 1 14 . 1 1 8 8 GLN H H 8 7.779 7.779 7.479 0.300 19036 9147 1 14 . 1 1 9 9 ILE N N 9 119.530 119.530 118.946 0.584 19036 9148 1 14 . 1 1 9 9 ILE HA H 9 3.699 3.699 3.651 0.048 19036 9149 1 14 . 1 1 9 9 ILE CA C 9 66.284 66.284 64.144 2.140 19036 9150 1 14 . 1 1 9 9 ILE CB C 9 37.882 37.882 37.470 0.412 19036 9151 1 14 . 1 1 9 9 ILE H H 9 8.391 8.391 7.414 0.977 19036 9152 1 14 . 1 1 10 10 ALA N N 10 121.270 121.270 121.048 0.222 19036 9153 1 14 . 1 1 10 10 ALA HA H 10 4.140 4.140 4.012 0.128 19036 9154 1 14 . 1 1 10 10 ALA CA C 10 55.569 55.569 55.315 0.255 19036 9155 1 14 . 1 1 10 10 ALA CB C 10 17.977 17.977 17.761 0.216 19036 9156 1 14 . 1 1 10 10 ALA H H 10 8.040 8.040 7.564 0.476 19036 9157 1 14 . 1 1 11 11 GLU N N 11 119.830 119.830 118.461 1.369 19036 9158 1 14 . 1 1 11 11 GLU HA H 11 4.159 4.159 4.043 0.116 19036 9159 1 14 . 1 1 11 11 GLU CA C 11 59.438 59.438 59.109 0.329 19036 9160 1 14 . 1 1 11 11 GLU CB C 11 29.098 29.098 29.233 -0.135 19036 9161 1 14 . 1 1 11 11 GLU H H 11 7.841 7.841 7.629 0.212 19036 9162 1 14 . 1 1 12 12 PHE N N 12 120.250 120.250 116.469 3.781 19036 9163 1 14 . 1 1 12 12 PHE HA H 12 5.033 5.033 4.754 0.279 19036 9164 1 14 . 1 1 12 12 PHE CA C 12 59.113 59.113 57.206 1.907 19036 9165 1 14 . 1 1 12 12 PHE CB C 12 37.727 37.727 37.994 -0.267 19036 9166 1 14 . 1 1 12 12 PHE H H 12 8.641 8.641 7.096 1.545 19036 9167 1 14 . 1 1 13 13 LYS N N 13 123.680 123.680 122.363 1.317 19036 9168 1 14 . 1 1 13 13 LYS HA H 13 4.038 4.038 4.367 -0.329 19036 9169 1 14 . 1 1 13 13 LYS CA C 13 60.228 60.228 60.700 -0.472 19036 9170 1 14 . 1 1 13 13 LYS CB C 13 32.020 32.020 32.259 -0.239 19036 9171 1 14 . 1 1 13 13 LYS H H 13 9.273 9.273 8.440 0.833 19036 9172 1 14 . 1 1 14 14 GLU N N 14 120.480 120.480 118.920 1.560 19036 9173 1 14 . 1 1 14 14 GLU HA H 14 4.150 4.150 4.167 -0.017 19036 9174 1 14 . 1 1 14 14 GLU CA C 14 59.283 59.283 59.558 -0.275 19036 9175 1 14 . 1 1 14 14 GLU CB C 14 29.163 29.163 29.488 -0.325 19036 9176 1 14 . 1 1 14 14 GLU H H 14 7.873 7.873 7.730 0.143 19036 9177 1 14 . 1 1 15 15 ALA N N 15 122.590 122.590 121.628 0.962 19036 9178 1 14 . 1 1 15 15 ALA HA H 15 4.285 4.285 4.226 0.059 19036 9179 1 14 . 1 1 15 15 ALA CA C 15 55.370 55.370 54.890 0.480 19036 9180 1 14 . 1 1 15 15 ALA CB C 15 18.190 18.190 18.456 -0.266 19036 9181 1 14 . 1 1 15 15 ALA H H 15 8.045 8.045 7.777 0.268 19036 9182 1 14 . 1 1 16 16 PHE N N 16 119.110 119.110 119.391 -0.281 19036 9183 1 14 . 1 1 16 16 PHE HA H 16 3.314 3.314 3.800 -0.486 19036 9184 1 14 . 1 1 16 16 PHE CA C 16 62.091 62.091 60.550 1.541 19036 9185 1 14 . 1 1 16 16 PHE CB C 16 39.813 39.813 38.964 0.849 19036 9186 1 14 . 1 1 16 16 PHE H H 16 8.804 8.804 8.663 0.141 19036 9187 1 14 . 1 1 17 17 SER N N 17 113.200 113.200 114.303 -1.103 19036 9188 1 14 . 1 1 17 17 SER HA H 17 4.139 4.139 3.929 0.210 19036 9189 1 14 . 1 1 17 17 SER CA C 17 61.542 61.542 61.507 0.035 19036 9190 1 14 . 1 1 17 17 SER CB C 17 63.424 63.424 63.280 0.144 19036 9191 1 14 . 1 1 17 17 SER H H 17 8.083 8.083 7.958 0.125 19036 9192 1 14 . 1 1 18 18 LEU N N 18 120.840 120.840 120.469 0.371 19036 9193 1 14 . 1 1 18 18 LEU HA H 18 3.981 3.981 3.927 0.054 19036 9194 1 14 . 1 1 18 18 LEU CA C 18 57.258 57.258 57.620 -0.362 19036 9195 1 14 . 1 1 18 18 LEU CB C 18 41.565 41.565 42.130 -0.565 19036 9196 1 14 . 1 1 18 18 LEU H H 18 7.436 7.436 7.381 0.055 19036 9197 1 14 . 1 1 19 19 PHE N N 19 114.020 114.020 113.769 0.251 19036 9198 1 14 . 1 1 19 19 PHE HA H 19 4.237 4.237 4.110 0.127 19036 9199 1 14 . 1 1 19 19 PHE CA C 19 59.258 59.258 60.026 -0.768 19036 9200 1 14 . 1 1 19 19 PHE CB C 19 41.732 41.732 39.052 2.680 19036 9201 1 14 . 1 1 19 19 PHE H H 19 7.180 7.180 7.402 -0.222 19036 9202 1 14 . 1 1 20 20 ASP N N 20 117.440 117.440 118.248 -0.808 19036 9203 1 14 . 1 1 20 20 ASP HA H 20 4.579 4.579 4.643 -0.064 19036 9204 1 14 . 1 1 20 20 ASP CA C 20 52.295 52.295 52.396 -0.101 19036 9205 1 14 . 1 1 20 20 ASP CB C 20 39.167 39.167 39.105 0.062 19036 9206 1 14 . 1 1 20 20 ASP H H 20 7.844 7.844 7.335 0.509 19036 9207 1 14 . 1 1 21 21 LYS N N 21 124.410 124.410 123.994 0.416 19036 9208 1 14 . 1 1 21 21 LYS HA H 21 3.990 3.990 3.962 0.028 19036 9209 1 14 . 1 1 21 21 LYS CA C 21 58.379 58.379 58.567 -0.188 19036 9210 1 14 . 1 1 21 21 LYS CB C 21 32.623 32.623 32.406 0.217 19036 9211 1 14 . 1 1 21 21 LYS H H 21 7.728 7.728 7.801 -0.073 19036 9212 1 14 . 1 1 22 22 ASP N N 22 114.060 114.060 117.707 -3.647 19036 9213 1 14 . 1 1 22 22 ASP HA H 22 4.625 4.625 4.462 0.163 19036 9214 1 14 . 1 1 22 22 ASP CA C 22 52.921 52.921 55.806 -2.885 19036 9215 1 14 . 1 1 22 22 ASP CB C 22 39.728 39.728 40.916 -1.188 19036 9216 1 14 . 1 1 22 22 ASP H H 22 8.095 8.095 8.653 -0.558 19036 9217 1 14 . 1 1 23 23 GLY N N 23 109.390 109.390 107.551 1.839 19036 9218 1 14 . 1 1 23 23 GLY CA C 23 47.250 47.250 45.996 1.254 19036 9219 1 14 . 1 1 23 23 GLY H H 23 7.717 7.717 7.873 -0.156 19036 9220 1 14 . 1 1 24 24 ASP N N 24 120.860 120.860 120.647 0.213 19036 9221 1 14 . 1 1 24 24 ASP HA H 24 4.564 4.564 4.616 -0.052 19036 9222 1 14 . 1 1 24 24 ASP CA C 24 53.918 53.918 53.010 0.908 19036 9223 1 14 . 1 1 24 24 ASP CB C 24 40.569 40.569 40.129 0.440 19036 9224 1 14 . 1 1 24 24 ASP H H 24 8.472 8.472 8.101 0.371 19036 9225 1 14 . 1 1 25 25 GLY N N 25 113.090 113.090 108.970 4.120 19036 9226 1 14 . 1 1 25 25 GLY CA C 25 45.542 45.542 45.645 -0.103 19036 9227 1 14 . 1 1 25 25 GLY H H 25 10.619 10.619 8.225 2.394 19036 9228 1 14 . 1 1 26 26 THR N N 26 112.600 112.600 110.441 2.159 19036 9229 1 14 . 1 1 26 26 THR HA H 26 5.391 5.391 5.132 0.259 19036 9230 1 14 . 1 1 26 26 THR CA C 26 59.883 59.883 59.615 0.268 19036 9231 1 14 . 1 1 26 26 THR CB C 26 72.786 72.786 72.508 0.278 19036 9232 1 14 . 1 1 26 26 THR H H 26 8.211 8.211 8.561 -0.350 19036 9233 1 14 . 1 1 27 27 ILE N N 27 126.830 126.830 123.911 2.919 19036 9234 1 14 . 1 1 27 27 ILE HA H 27 4.895 4.895 4.506 0.389 19036 9235 1 14 . 1 1 27 27 ILE CA C 27 60.856 60.856 60.450 0.406 19036 9236 1 14 . 1 1 27 27 ILE CB C 27 39.926 39.926 39.396 0.530 19036 9237 1 14 . 1 1 27 27 ILE H H 27 9.876 9.876 8.336 1.540 19036 9238 1 14 . 1 1 28 28 THR N N 28 116.500 116.500 117.987 -1.487 19036 9239 1 14 . 1 1 28 28 THR HA H 28 4.811 4.811 4.900 -0.089 19036 9240 1 14 . 1 1 28 28 THR CA C 28 59.216 59.216 59.710 -0.494 19036 9241 1 14 . 1 1 28 28 THR CB C 28 72.541 72.541 71.232 1.309 19036 9242 1 14 . 1 1 28 28 THR H H 28 8.439 8.439 9.068 -0.629 19036 9243 1 14 . 1 1 29 29 THR N N 29 112.850 112.850 115.767 -2.917 19036 9244 1 14 . 1 1 29 29 THR HA H 29 3.807 3.807 3.909 -0.102 19036 9245 1 14 . 1 1 29 29 THR CA C 29 66.516 66.516 66.084 0.432 19036 9246 1 14 . 1 1 29 29 THR CB C 29 68.018 68.018 68.190 -0.172 19036 9247 1 14 . 1 1 29 29 THR H H 29 9.238 9.238 8.988 0.250 19036 9248 1 14 . 1 1 30 30 LYS N N 30 121.130 121.130 123.008 -1.878 19036 9249 1 14 . 1 1 30 30 LYS HA H 30 4.170 4.170 4.000 0.170 19036 9250 1 14 . 1 1 30 30 LYS CA C 30 59.377 59.377 59.637 -0.260 19036 9251 1 14 . 1 1 30 30 LYS CB C 30 32.823 32.823 32.035 0.789 19036 9252 1 14 . 1 1 30 30 LYS H H 30 7.688 7.688 8.293 -0.605 19036 9253 1 14 . 1 1 31 31 GLU N N 31 121.920 121.920 119.623 2.297 19036 9254 1 14 . 1 1 31 31 GLU HA H 31 4.062 4.062 4.014 0.048 19036 9255 1 14 . 1 1 31 31 GLU CA C 31 59.579 59.579 59.323 0.256 19036 9256 1 14 . 1 1 31 31 GLU CB C 31 29.837 29.837 29.635 0.202 19036 9257 1 14 . 1 1 31 31 GLU H H 31 7.783 7.783 7.501 0.282 19036 9258 1 14 . 1 1 32 32 LEU N N 32 120.570 120.570 120.966 -0.396 19036 9259 1 14 . 1 1 32 32 LEU HA H 32 4.145 4.145 4.074 0.071 19036 9260 1 14 . 1 1 32 32 LEU CA C 32 58.321 58.321 58.099 0.222 19036 9261 1 14 . 1 1 32 32 LEU CB C 32 42.697 42.697 42.122 0.575 19036 9262 1 14 . 1 1 32 32 LEU H H 32 8.705 8.705 7.910 0.795 19036 9263 1 14 . 1 1 33 33 GLY N N 33 105.720 105.720 105.654 0.066 19036 9264 1 14 . 1 1 33 33 GLY H H 33 8.753 8.753 8.017 0.736 19036 9265 1 14 . 1 1 34 34 THR N N 34 118.370 118.370 118.747 -0.377 19036 9266 1 14 . 1 1 34 34 THR HA H 34 3.961 3.961 3.934 0.027 19036 9267 1 14 . 1 1 34 34 THR CA C 34 67.097 67.097 67.367 -0.270 19036 9268 1 14 . 1 1 34 34 THR CB C 34 68.869 68.869 68.745 0.124 19036 9269 1 14 . 1 1 34 34 THR H H 34 8.071 8.071 7.689 0.382 19036 9270 1 14 . 1 1 35 35 VAL N N 35 122.170 122.170 121.883 0.287 19036 9271 1 14 . 1 1 35 35 VAL HA H 35 3.609 3.609 3.832 -0.223 19036 9272 1 14 . 1 1 35 35 VAL CA C 35 66.538 66.538 64.791 1.747 19036 9273 1 14 . 1 1 35 35 VAL CB C 35 31.589 31.589 31.627 -0.038 19036 9274 1 14 . 1 1 35 35 VAL H H 35 7.738 7.738 7.412 0.326 19036 9275 1 14 . 1 1 36 36 MET N N 36 118.620 118.620 119.257 -0.637 19036 9276 1 14 . 1 1 36 36 MET HA H 36 4.043 4.043 4.099 -0.056 19036 9277 1 14 . 1 1 36 36 MET CA C 36 59.594 59.594 58.916 0.678 19036 9278 1 14 . 1 1 36 36 MET CB C 36 31.850 31.850 32.404 -0.553 19036 9279 1 14 . 1 1 36 36 MET H H 36 8.559 8.559 8.707 -0.148 19036 9280 1 14 . 1 1 37 37 ARG N N 37 118.920 118.920 118.741 0.179 19036 9281 1 14 . 1 1 37 37 ARG HA H 37 4.798 4.798 4.220 0.578 19036 9282 1 14 . 1 1 37 37 ARG CA C 37 59.518 59.518 59.276 0.242 19036 9283 1 14 . 1 1 37 37 ARG CB C 37 30.189 30.189 29.903 0.286 19036 9284 1 14 . 1 1 37 37 ARG H H 37 8.638 8.638 8.602 0.036 19036 9285 1 14 . 1 1 38 38 SER N N 38 119.000 119.000 116.585 2.415 19036 9286 1 14 . 1 1 38 38 SER HA H 38 4.420 4.420 4.209 0.211 19036 9287 1 14 . 1 1 38 38 SER CA C 38 61.682 61.682 61.111 0.571 19036 9288 1 14 . 1 1 38 38 SER CB C 38 62.890 62.890 62.870 0.020 19036 9289 1 14 . 1 1 38 38 SER H H 38 7.994 7.994 7.573 0.421 19036 9290 1 14 . 1 1 39 39 LEU N N 39 120.790 120.790 121.279 -0.489 19036 9291 1 14 . 1 1 39 39 LEU HA H 39 4.498 4.498 4.252 0.246 19036 9292 1 14 . 1 1 39 39 LEU CA C 39 54.405 54.405 55.007 -0.602 19036 9293 1 14 . 1 1 39 39 LEU CB C 39 41.979 41.979 41.745 0.234 19036 9294 1 14 . 1 1 39 39 LEU H H 39 7.426 7.426 7.491 -0.065 19036 9295 1 14 . 1 1 40 40 GLY N N 40 106.830 106.830 105.879 0.951 19036 9296 1 14 . 1 1 40 40 GLY CA C 40 45.713 45.713 45.053 0.660 19036 9297 1 14 . 1 1 40 40 GLY H H 40 7.896 7.896 7.418 0.478 19036 9298 1 14 . 1 1 41 41 GLN N N 41 118.330 118.330 119.169 -0.839 19036 9299 1 14 . 1 1 41 41 GLN HA H 41 4.503 4.503 4.522 -0.019 19036 9300 1 14 . 1 1 41 41 GLN CA C 41 54.585 54.585 54.509 0.076 19036 9301 1 14 . 1 1 41 41 GLN CB C 41 30.591 30.591 31.858 -1.267 19036 9302 1 14 . 1 1 41 41 GLN H H 41 7.865 7.865 7.735 0.130 19036 9303 1 14 . 1 1 42 42 ASN N N 42 116.490 116.490 118.787 -2.297 19036 9304 1 14 . 1 1 42 42 ASN HA H 42 5.214 5.214 4.989 0.225 19036 9305 1 14 . 1 1 42 42 ASN CA C 42 51.351 51.351 50.960 0.391 19036 9306 1 14 . 1 1 42 42 ASN CB C 42 39.402 39.402 37.773 1.629 19036 9307 1 14 . 1 1 42 42 ASN H H 42 8.771 8.771 8.520 0.251 19036 9308 1 14 . 1 1 43 43 PRO HA H 43 4.779 4.779 4.740 0.039 19036 9309 1 14 . 1 1 43 43 PRO CA C 43 62.475 62.475 62.755 -0.280 19036 9310 1 14 . 1 1 43 43 PRO CB C 43 32.084 32.084 32.884 -0.800 19036 9311 1 14 . 1 1 44 44 THR N N 44 113.050 113.050 112.894 0.156 19036 9312 1 14 . 1 1 44 44 THR HA H 44 4.487 4.487 4.578 -0.091 19036 9313 1 14 . 1 1 44 44 THR CA C 44 60.565 60.565 60.181 0.384 19036 9314 1 14 . 1 1 44 44 THR CB C 44 71.260 71.260 71.535 -0.275 19036 9315 1 14 . 1 1 44 44 THR H H 44 8.808 8.808 8.169 0.639 19036 9316 1 14 . 1 1 45 45 GLU N N 45 120.700 120.700 121.438 -0.738 19036 9317 1 14 . 1 1 45 45 GLU HA H 45 4.001 4.001 4.100 -0.099 19036 9318 1 14 . 1 1 45 45 GLU CA C 45 60.082 60.082 59.940 0.142 19036 9319 1 14 . 1 1 45 45 GLU CB C 45 29.129 29.129 29.143 -0.014 19036 9320 1 14 . 1 1 45 45 GLU H H 45 8.842 8.842 9.058 -0.216 19036 9321 1 14 . 1 1 46 46 ALA N N 46 120.880 120.880 121.728 -0.848 19036 9322 1 14 . 1 1 46 46 ALA HA H 46 4.125 4.125 4.168 -0.043 19036 9323 1 14 . 1 1 46 46 ALA CA C 46 55.125 55.125 55.022 0.103 19036 9324 1 14 . 1 1 46 46 ALA CB C 46 18.342 18.342 18.142 0.200 19036 9325 1 14 . 1 1 46 46 ALA H H 46 8.305 8.305 8.364 -0.059 19036 9326 1 14 . 1 1 47 47 GLU N N 47 118.780 118.780 119.699 -0.919 19036 9327 1 14 . 1 1 47 47 GLU HA H 47 4.040 4.040 4.055 -0.015 19036 9328 1 14 . 1 1 47 47 GLU CA C 47 59.144 59.144 59.223 -0.079 19036 9329 1 14 . 1 1 47 47 GLU CB C 47 29.886 29.886 29.637 0.249 19036 9330 1 14 . 1 1 47 47 GLU H H 47 7.736 7.736 7.530 0.206 19036 9331 1 14 . 1 1 48 48 LEU N N 48 120.120 120.120 119.988 0.132 19036 9332 1 14 . 1 1 48 48 LEU HA H 48 4.079 4.079 3.927 0.152 19036 9333 1 14 . 1 1 48 48 LEU CA C 48 57.955 57.955 58.061 -0.106 19036 9334 1 14 . 1 1 48 48 LEU CB C 48 42.516 42.516 41.811 0.705 19036 9335 1 14 . 1 1 48 48 LEU H H 48 8.169 8.169 8.138 0.031 19036 9336 1 14 . 1 1 49 49 GLN N N 49 118.390 118.390 119.093 -0.703 19036 9337 1 14 . 1 1 49 49 GLN HA H 49 3.849 3.849 3.967 -0.118 19036 9338 1 14 . 1 1 49 49 GLN CA C 49 58.676 58.676 58.866 -0.190 19036 9339 1 14 . 1 1 49 49 GLN CB C 49 28.341 28.341 28.130 0.211 19036 9340 1 14 . 1 1 49 49 GLN H H 49 8.235 8.235 8.352 -0.117 19036 9341 1 14 . 1 1 50 50 ASP N N 50 120.090 120.090 120.820 -0.730 19036 9342 1 14 . 1 1 50 50 ASP HA H 50 4.439 4.439 4.440 -0.001 19036 9343 1 14 . 1 1 50 50 ASP CA C 50 57.643 57.643 56.817 0.826 19036 9344 1 14 . 1 1 50 50 ASP CB C 50 40.366 40.366 40.869 -0.503 19036 9345 1 14 . 1 1 50 50 ASP H H 50 8.164 8.164 8.126 0.038 19036 9346 1 14 . 1 1 51 51 MET N N 51 119.330 119.330 118.573 0.757 19036 9347 1 14 . 1 1 51 51 MET HA H 51 4.021 4.021 4.123 -0.102 19036 9348 1 14 . 1 1 51 51 MET CA C 51 59.332 59.332 59.464 -0.132 19036 9349 1 14 . 1 1 51 51 MET CB C 51 33.713 33.713 32.860 0.853 19036 9350 1 14 . 1 1 51 51 MET H H 51 7.909 7.909 8.073 -0.164 19036 9351 1 14 . 1 1 52 52 ILE N N 52 118.080 118.080 118.729 -0.649 19036 9352 1 14 . 1 1 52 52 ILE HA H 52 3.581 3.581 3.702 -0.121 19036 9353 1 14 . 1 1 52 52 ILE CA C 52 64.476 64.476 64.548 -0.072 19036 9354 1 14 . 1 1 52 52 ILE CB C 52 37.177 37.177 37.082 0.095 19036 9355 1 14 . 1 1 52 52 ILE H H 52 7.767 7.767 8.030 -0.263 19036 9356 1 14 . 1 1 53 53 ASN N N 53 117.980 117.980 118.264 -0.284 19036 9357 1 14 . 1 1 53 53 ASN HA H 53 4.417 4.417 4.456 -0.039 19036 9358 1 14 . 1 1 53 53 ASN CA C 53 55.988 55.988 55.817 0.171 19036 9359 1 14 . 1 1 53 53 ASN CB C 53 38.211 38.211 37.793 0.418 19036 9360 1 14 . 1 1 53 53 ASN H H 53 8.669 8.669 8.331 0.338 19036 9361 1 14 . 1 1 54 54 GLU N N 54 116.350 116.350 119.282 -2.932 19036 9362 1 14 . 1 1 54 54 GLU HA H 54 4.066 4.066 4.129 -0.063 19036 9363 1 14 . 1 1 54 54 GLU CA C 54 58.930 58.930 58.714 0.216 19036 9364 1 14 . 1 1 54 54 GLU CB C 54 30.404 30.404 29.941 0.463 19036 9365 1 14 . 1 1 54 54 GLU H H 54 7.566 7.566 7.647 -0.081 19036 9366 1 14 . 1 1 55 55 VAL N N 55 110.520 110.520 116.545 -6.025 19036 9367 1 14 . 1 1 55 55 VAL HA H 55 4.366 4.366 4.279 0.087 19036 9368 1 14 . 1 1 55 55 VAL CA C 55 61.089 61.089 60.599 0.490 19036 9369 1 14 . 1 1 55 55 VAL CB C 55 33.088 33.088 32.444 0.644 19036 9370 1 14 . 1 1 55 55 VAL H H 55 7.242 7.242 7.563 -0.321 19036 9371 1 14 . 1 1 56 56 ASP N N 56 121.390 121.390 121.440 -0.050 19036 9372 1 14 . 1 1 56 56 ASP HA H 56 4.582 4.582 4.724 -0.142 19036 9373 1 14 . 1 1 56 56 ASP CA C 56 53.916 53.916 53.504 0.412 19036 9374 1 14 . 1 1 56 56 ASP CB C 56 40.588 40.588 40.366 0.222 19036 9375 1 14 . 1 1 56 56 ASP H H 56 7.749 7.749 7.519 0.230 19036 9376 1 14 . 1 1 57 57 ALA N N 57 131.640 131.640 129.917 1.723 19036 9377 1 14 . 1 1 57 57 ALA HA H 57 4.247 4.247 4.239 0.008 19036 9378 1 14 . 1 1 57 57 ALA CA C 57 54.341 54.341 53.495 0.846 19036 9379 1 14 . 1 1 57 57 ALA CB C 57 19.800 19.800 19.976 -0.176 19036 9380 1 14 . 1 1 57 57 ALA H H 57 8.323 8.323 8.190 0.133 19036 9381 1 14 . 1 1 58 58 ASP N N 58 114.000 114.000 116.322 -2.322 19036 9382 1 14 . 1 1 58 58 ASP HA H 58 4.682 4.682 4.634 0.048 19036 9383 1 14 . 1 1 58 58 ASP CA C 58 52.705 52.705 53.171 -0.466 19036 9384 1 14 . 1 1 58 58 ASP CB C 58 39.931 39.931 40.666 -0.735 19036 9385 1 14 . 1 1 58 58 ASP H H 58 8.240 8.240 7.970 0.270 19036 9386 1 14 . 1 1 59 59 GLY N N 59 108.660 108.660 108.668 -0.008 19036 9387 1 14 . 1 1 59 59 GLY CA C 59 47.306 47.306 46.047 1.259 19036 9388 1 14 . 1 1 59 59 GLY H H 59 7.635 7.635 8.705 -1.070 19036 9389 1 14 . 1 1 60 60 ASN N N 60 118.730 118.730 118.623 0.107 19036 9390 1 14 . 1 1 60 60 ASN HA H 60 4.658 4.658 4.702 -0.044 19036 9391 1 14 . 1 1 60 60 ASN CA C 60 52.805 52.805 51.892 0.913 19036 9392 1 14 . 1 1 60 60 ASN CB C 60 37.716 37.716 38.788 -1.072 19036 9393 1 14 . 1 1 60 60 ASN H H 60 8.184 8.184 9.155 -0.971 19036 9394 1 14 . 1 1 61 61 GLY N N 61 113.430 113.430 108.793 4.637 19036 9395 1 14 . 1 1 61 61 GLY CA C 61 45.753 45.753 46.072 -0.319 19036 9396 1 14 . 1 1 61 61 GLY H H 61 10.605 10.605 8.933 1.672 19036 9397 1 14 . 1 1 62 62 THR N N 62 108.750 108.750 109.044 -0.294 19036 9398 1 14 . 1 1 62 62 THR HA H 62 4.874 4.874 4.940 -0.066 19036 9399 1 14 . 1 1 62 62 THR CA C 62 59.541 59.541 59.293 0.248 19036 9400 1 14 . 1 1 62 62 THR CB C 62 72.168 72.168 72.471 -0.303 19036 9401 1 14 . 1 1 62 62 THR H H 62 7.699 7.699 8.282 -0.583 19036 9402 1 14 . 1 1 63 63 ILE N N 63 123.510 123.510 122.873 0.637 19036 9403 1 14 . 1 1 63 63 ILE HA H 63 5.160 5.160 4.767 0.393 19036 9404 1 14 . 1 1 63 63 ILE CA C 63 59.959 59.959 60.234 -0.275 19036 9405 1 14 . 1 1 63 63 ILE CB C 63 39.836 39.836 40.016 -0.180 19036 9406 1 14 . 1 1 63 63 ILE H H 63 8.823 8.823 8.107 0.716 19036 9407 1 14 . 1 1 64 64 ASP N N 64 128.370 128.370 127.304 1.066 19036 9408 1 14 . 1 1 64 64 ASP HA H 64 5.463 5.463 5.156 0.307 19036 9409 1 14 . 1 1 64 64 ASP CA C 64 52.257 52.257 52.837 -0.580 19036 9410 1 14 . 1 1 64 64 ASP CB C 64 42.416 42.416 42.806 -0.390 19036 9411 1 14 . 1 1 64 64 ASP H H 64 8.946 8.946 8.195 0.751 19036 9412 1 14 . 1 1 65 65 PHE N N 65 118.870 118.870 122.337 -3.467 19036 9413 1 14 . 1 1 65 65 PHE HA H 65 4.028 4.028 4.018 0.010 19036 9414 1 14 . 1 1 65 65 PHE CA C 65 63.404 63.404 63.883 -0.479 19036 9415 1 14 . 1 1 65 65 PHE CB C 65 36.123 36.123 36.531 -0.408 19036 9416 1 14 . 1 1 65 65 PHE H H 65 9.000 9.000 9.194 -0.194 19036 9417 1 14 . 1 1 66 66 PRO HA H 66 3.918 3.918 4.240 -0.322 19036 9418 1 14 . 1 1 66 66 PRO CA C 66 66.799 66.799 66.399 0.400 19036 9419 1 14 . 1 1 66 66 PRO CB C 66 30.789 30.789 31.285 -0.496 19036 9420 1 14 . 1 1 67 67 GLU N N 67 117.930 117.930 119.151 -1.221 19036 9421 1 14 . 1 1 67 67 GLU HA H 67 4.088 4.088 4.044 0.044 19036 9422 1 14 . 1 1 67 67 GLU CA C 67 58.965 58.965 59.530 -0.565 19036 9423 1 14 . 1 1 67 67 GLU CB C 67 29.677 29.677 29.295 0.382 19036 9424 1 14 . 1 1 67 67 GLU H H 67 8.185 8.185 7.710 0.475 19036 9425 1 14 . 1 1 68 68 PHE N N 68 123.830 123.830 121.596 2.234 19036 9426 1 14 . 1 1 68 68 PHE HA H 68 3.957 3.957 4.225 -0.268 19036 9427 1 14 . 1 1 68 68 PHE CA C 68 61.439 61.439 60.784 0.655 19036 9428 1 14 . 1 1 68 68 PHE CB C 68 40.429 40.429 39.133 1.296 19036 9429 1 14 . 1 1 68 68 PHE H H 68 8.794 8.794 8.615 0.179 19036 9430 1 14 . 1 1 69 69 LEU N N 69 119.410 119.410 119.454 -0.044 19036 9431 1 14 . 1 1 69 69 LEU HA H 69 3.394 3.394 3.601 -0.207 19036 9432 1 14 . 1 1 69 69 LEU CA C 69 58.042 58.042 58.077 -0.035 19036 9433 1 14 . 1 1 69 69 LEU CB C 69 41.246 41.246 41.544 -0.298 19036 9434 1 14 . 1 1 69 69 LEU H H 69 8.662 8.662 8.952 -0.290 19036 9435 1 14 . 1 1 70 70 THR N N 70 115.700 115.700 115.610 0.090 19036 9436 1 14 . 1 1 70 70 THR HA H 70 3.783 3.783 3.844 -0.061 19036 9437 1 14 . 1 1 70 70 THR CA C 70 66.623 66.623 67.278 -0.655 19036 9438 1 14 . 1 1 70 70 THR CB C 70 68.592 68.592 68.501 0.091 19036 9439 1 14 . 1 1 70 70 THR H H 70 7.744 7.744 8.032 -0.288 19036 9440 1 14 . 1 1 71 71 MET N N 71 121.350 121.350 121.769 -0.419 19036 9441 1 14 . 1 1 71 71 MET HA H 71 3.889 3.889 3.885 0.004 19036 9442 1 14 . 1 1 71 71 MET CA C 71 58.859 58.859 59.530 -0.671 19036 9443 1 14 . 1 1 71 71 MET CB C 71 32.676 32.676 32.364 0.312 19036 9444 1 14 . 1 1 71 71 MET H H 71 7.622 7.622 7.494 0.128 19036 9445 1 14 . 1 1 72 72 MET N N 72 117.390 117.390 117.859 -0.469 19036 9446 1 14 . 1 1 72 72 MET HA H 72 3.973 3.973 3.948 0.025 19036 9447 1 14 . 1 1 72 72 MET CA C 72 56.030 56.030 57.399 -1.369 19036 9448 1 14 . 1 1 72 72 MET CB C 72 30.934 30.934 31.049 -0.115 19036 9449 1 14 . 1 1 72 72 MET H H 72 8.066 8.066 7.626 0.440 19036 9450 1 14 . 1 1 73 73 ALA N N 73 121.670 121.670 120.258 1.412 19036 9451 1 14 . 1 1 73 73 ALA HA H 73 4.103 4.103 4.110 -0.007 19036 9452 1 14 . 1 1 73 73 ALA CA C 73 54.517 54.517 54.213 0.304 19036 9453 1 14 . 1 1 73 73 ALA CB C 73 18.381 18.381 18.356 0.025 19036 9454 1 14 . 1 1 73 73 ALA H H 73 8.276 8.276 7.707 0.569 19036 9455 1 14 . 1 1 74 74 ARG N N 74 117.220 117.220 119.771 -2.551 19036 9456 1 14 . 1 1 74 74 ARG HA H 74 4.113 4.113 3.981 0.132 19036 9457 1 14 . 1 1 74 74 ARG CA C 74 58.327 58.327 59.353 -1.026 19036 9458 1 14 . 1 1 74 74 ARG CB C 74 30.378 30.378 30.024 0.354 19036 9459 1 14 . 1 1 74 74 ARG H H 74 7.539 7.539 8.075 -0.536 19036 9460 1 14 . 1 1 75 75 LYS N N 75 119.120 119.120 118.802 0.318 19036 9461 1 14 . 1 1 75 75 LYS HA H 75 4.261 4.261 4.031 0.230 19036 9462 1 14 . 1 1 75 75 LYS CA C 75 56.990 56.990 59.284 -2.294 19036 9463 1 14 . 1 1 75 75 LYS CB C 75 32.412 32.412 32.030 0.382 19036 9464 1 14 . 1 1 75 75 LYS H H 75 7.833 7.833 7.528 0.305 19036 9465 1 14 . 1 1 76 76 MET N N 76 118.860 118.860 118.247 0.613 19036 9466 1 14 . 1 1 76 76 MET HA H 76 4.370 4.370 4.200 0.170 19036 9467 1 14 . 1 1 76 76 MET CA C 76 56.700 56.700 58.461 -1.761 19036 9468 1 14 . 1 1 76 76 MET CB C 76 32.981 32.981 32.346 0.635 19036 9469 1 14 . 1 1 76 76 MET H H 76 8.000 8.000 7.430 0.570 19036 9470 1 14 . 1 1 77 77 LYS N N 77 120.200 120.200 115.739 4.461 19036 9471 1 14 . 1 1 77 77 LYS HA H 77 4.352 4.352 4.354 -0.002 19036 9472 1 14 . 1 1 77 77 LYS CA C 77 56.709 56.709 55.566 1.143 19036 9473 1 14 . 1 1 77 77 LYS CB C 77 33.138 33.138 32.142 0.996 19036 9474 1 14 . 1 1 77 77 LYS H H 77 7.866 7.866 7.470 0.396 19036 9475 1 14 . 1 1 78 78 ASP N N 78 121.430 121.430 117.329 4.101 19036 9476 1 14 . 1 1 78 78 ASP HA H 78 4.691 4.691 4.289 0.402 19036 9477 1 14 . 1 1 78 78 ASP CA C 78 54.771 54.771 55.360 -0.589 19036 9478 1 14 . 1 1 78 78 ASP CB C 78 41.222 41.222 38.881 2.341 19036 9479 1 14 . 1 1 78 78 ASP H H 78 8.250 8.250 7.836 0.414 19036 9480 1 14 . 1 1 79 79 THR N N 79 114.390 114.390 113.422 0.968 19036 9481 1 14 . 1 1 79 79 THR HA H 79 4.337 4.337 4.395 -0.058 19036 9482 1 14 . 1 1 79 79 THR CA C 79 62.349 62.349 62.205 0.144 19036 9483 1 14 . 1 1 79 79 THR CB C 79 69.875 69.875 68.261 1.614 19036 9484 1 14 . 1 1 79 79 THR H H 79 8.093 8.093 7.601 0.492 19036 9485 1 14 . 1 1 80 80 ASP N N 80 123.460 123.460 125.891 -2.431 19036 9486 1 14 . 1 1 80 80 ASP HA H 80 4.721 4.721 4.141 0.580 19036 9487 1 14 . 1 1 80 80 ASP CA C 80 54.655 54.655 57.282 -2.627 19036 9488 1 14 . 1 1 80 80 ASP CB C 80 41.416 41.416 39.797 1.619 19036 9489 1 14 . 1 1 80 80 ASP H H 80 8.455 8.455 8.627 -0.172 19036 9490 1 14 . 1 1 81 81 SER N N 81 117.440 117.440 114.213 3.227 19036 9491 1 14 . 1 1 81 81 SER HA H 81 4.455 4.455 4.296 0.159 19036 9492 1 14 . 1 1 81 81 SER CA C 81 59.571 59.571 61.114 -1.543 19036 9493 1 14 . 1 1 81 81 SER CB C 81 63.825 63.825 63.058 0.767 19036 9494 1 14 . 1 1 81 81 SER H H 81 8.505 8.505 8.180 0.325 19036 9495 1 14 . 1 1 82 82 GLU N N 82 122.380 122.380 121.027 1.353 19036 9496 1 14 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.115 0.070 19036 9497 1 14 . 1 1 82 82 GLU CA C 82 58.800 58.800 58.648 0.152 19036 9498 1 14 . 1 1 82 82 GLU CB C 82 29.660 29.660 28.366 1.294 19036 9499 1 14 . 1 1 82 82 GLU H H 82 8.508 8.508 8.347 0.161 19036 9500 1 14 . 1 1 83 83 GLU N N 83 119.670 119.670 120.839 -1.169 19036 9501 1 14 . 1 1 83 83 GLU HA H 83 4.085 4.085 4.009 0.076 19036 9502 1 14 . 1 1 83 83 GLU CA C 83 59.576 59.576 59.305 0.271 19036 9503 1 14 . 1 1 83 83 GLU CB C 83 29.410 29.410 29.409 0.001 19036 9504 1 14 . 1 1 83 83 GLU H H 83 8.297 8.297 8.036 0.261 19036 9505 1 14 . 1 1 84 84 GLU N N 84 118.700 118.700 119.225 -0.525 19036 9506 1 14 . 1 1 84 84 GLU HA H 84 4.135 4.135 4.134 0.001 19036 9507 1 14 . 1 1 84 84 GLU CA C 84 59.523 59.523 58.704 0.819 19036 9508 1 14 . 1 1 84 84 GLU CB C 84 29.607 29.607 28.869 0.738 19036 9509 1 14 . 1 1 84 84 GLU H H 84 8.218 8.218 7.741 0.477 19036 9510 1 14 . 1 1 85 85 ILE N N 85 121.500 121.500 120.241 1.259 19036 9511 1 14 . 1 1 85 85 ILE HA H 85 3.981 3.981 3.733 0.247 19036 9512 1 14 . 1 1 85 85 ILE CA C 85 64.941 64.941 65.441 -0.500 19036 9513 1 14 . 1 1 85 85 ILE CB C 85 37.484 37.484 37.813 -0.329 19036 9514 1 14 . 1 1 85 85 ILE H H 85 7.980 7.980 8.462 -0.482 19036 9515 1 14 . 1 1 86 86 ARG N N 86 121.710 121.710 118.281 3.429 19036 9516 1 14 . 1 1 86 86 ARG HA H 86 4.186 4.186 4.357 -0.171 19036 9517 1 14 . 1 1 86 86 ARG CA C 86 60.202 60.202 59.368 0.834 19036 9518 1 14 . 1 1 86 86 ARG CB C 86 30.026 30.026 30.057 -0.031 19036 9519 1 14 . 1 1 86 86 ARG H H 86 8.471 8.471 7.731 0.740 19036 9520 1 14 . 1 1 87 87 GLU N N 87 118.710 118.710 120.695 -1.985 19036 9521 1 14 . 1 1 87 87 GLU HA H 87 4.179 4.179 4.223 -0.044 19036 9522 1 14 . 1 1 87 87 GLU CA C 87 58.995 58.995 58.951 0.044 19036 9523 1 14 . 1 1 87 87 GLU CB C 87 29.201 29.201 29.174 0.027 19036 9524 1 14 . 1 1 87 87 GLU H H 87 8.211 8.211 7.918 0.293 19036 9525 1 14 . 1 1 88 88 ALA N N 88 121.910 121.910 122.012 -0.102 19036 9526 1 14 . 1 1 88 88 ALA HA H 88 4.180 4.180 4.234 -0.054 19036 9527 1 14 . 1 1 88 88 ALA CA C 88 55.275 55.275 55.030 0.245 19036 9528 1 14 . 1 1 88 88 ALA CB C 88 17.936 17.936 18.273 -0.338 19036 9529 1 14 . 1 1 88 88 ALA H H 88 8.037 8.037 8.051 -0.014 19036 9530 1 14 . 1 1 89 89 PHE N N 89 118.790 118.790 119.647 -0.857 19036 9531 1 14 . 1 1 89 89 PHE HA H 89 3.188 3.188 3.741 -0.553 19036 9532 1 14 . 1 1 89 89 PHE CA C 89 62.283 62.283 61.299 0.984 19036 9533 1 14 . 1 1 89 89 PHE CB C 89 39.238 39.238 39.044 0.194 19036 9534 1 14 . 1 1 89 89 PHE H H 89 8.623 8.623 7.974 0.649 19036 9535 1 14 . 1 1 90 90 ARG N N 90 115.890 115.890 119.718 -3.828 19036 9536 1 14 . 1 1 90 90 ARG HA H 90 3.906 3.906 4.134 -0.228 19036 9537 1 14 . 1 1 90 90 ARG CA C 90 58.950 58.950 59.551 -0.601 19036 9538 1 14 . 1 1 90 90 ARG CB C 90 30.414 30.414 30.084 0.330 19036 9539 1 14 . 1 1 90 90 ARG H H 90 7.775 7.775 8.054 -0.279 19036 9540 1 14 . 1 1 91 91 VAL N N 91 118.320 118.320 118.027 0.293 19036 9541 1 14 . 1 1 91 91 VAL HA H 91 3.515 3.515 3.711 -0.196 19036 9542 1 14 . 1 1 91 91 VAL CA C 91 65.726 65.726 65.294 0.432 19036 9543 1 14 . 1 1 91 91 VAL CB C 91 31.579 31.579 32.015 -0.436 19036 9544 1 14 . 1 1 91 91 VAL H H 91 7.538 7.538 7.266 0.272 19036 9545 1 14 . 1 1 92 92 PHE N N 92 115.750 115.750 116.878 -1.128 19036 9546 1 14 . 1 1 92 92 PHE HA H 92 4.247 4.247 4.169 0.078 19036 9547 1 14 . 1 1 92 92 PHE CA C 92 60.241 60.241 60.656 -0.415 19036 9548 1 14 . 1 1 92 92 PHE CB C 92 40.951 40.951 39.275 1.676 19036 9549 1 14 . 1 1 92 92 PHE H H 92 7.381 7.381 7.996 -0.615 19036 9550 1 14 . 1 1 93 93 ASP N N 93 116.590 116.590 118.393 -1.803 19036 9551 1 14 . 1 1 93 93 ASP HA H 93 4.590 4.590 4.725 -0.135 19036 9552 1 14 . 1 1 93 93 ASP CA C 93 52.466 52.466 52.695 -0.229 19036 9553 1 14 . 1 1 93 93 ASP CB C 93 38.478 38.478 39.553 -1.075 19036 9554 1 14 . 1 1 93 93 ASP H H 93 7.900 7.900 7.943 -0.043 19036 9555 1 14 . 1 1 94 94 LYS N N 94 126.160 126.160 124.890 1.270 19036 9556 1 14 . 1 1 94 94 LYS HA H 94 3.945 3.945 4.015 -0.070 19036 9557 1 14 . 1 1 94 94 LYS CA C 94 59.072 59.072 58.399 0.673 19036 9558 1 14 . 1 1 94 94 LYS CB C 94 32.589 32.589 32.595 -0.006 19036 9559 1 14 . 1 1 94 94 LYS H H 94 7.790 7.790 7.876 -0.086 19036 9560 1 14 . 1 1 95 95 ASP N N 95 114.060 114.060 116.668 -2.608 19036 9561 1 14 . 1 1 95 95 ASP HA H 95 4.579 4.579 4.538 0.041 19036 9562 1 14 . 1 1 95 95 ASP CA C 95 53.120 53.120 55.901 -2.781 19036 9563 1 14 . 1 1 95 95 ASP CB C 95 40.043 40.043 41.169 -1.126 19036 9564 1 14 . 1 1 95 95 ASP H H 95 8.237 8.237 9.219 -0.982 19036 9565 1 14 . 1 1 96 96 GLY N N 96 109.410 109.410 106.913 2.497 19036 9566 1 14 . 1 1 96 96 GLY CA C 96 47.263 47.263 46.316 0.947 19036 9567 1 14 . 1 1 96 96 GLY H H 96 7.839 7.839 8.079 -0.240 19036 9568 1 14 . 1 1 97 97 ASN N N 97 119.630 119.630 120.189 -0.559 19036 9569 1 14 . 1 1 97 97 ASN HA H 97 4.659 4.659 4.650 0.009 19036 9570 1 14 . 1 1 97 97 ASN CA C 97 52.681 52.681 52.739 -0.058 19036 9571 1 14 . 1 1 97 97 ASN CB C 97 38.311 38.311 38.596 -0.285 19036 9572 1 14 . 1 1 97 97 ASN H H 97 8.377 8.377 8.131 0.246 19036 9573 1 14 . 1 1 98 98 GLY N N 98 112.970 112.970 107.696 5.274 19036 9574 1 14 . 1 1 98 98 GLY CA C 98 45.183 45.183 45.507 -0.324 19036 9575 1 14 . 1 1 98 98 GLY H H 98 10.687 10.687 8.489 2.198 19036 9576 1 14 . 1 1 99 99 TYR N N 99 116.080 116.080 118.543 -2.463 19036 9577 1 14 . 1 1 99 99 TYR HA H 99 5.065 5.065 5.210 -0.145 19036 9578 1 14 . 1 1 99 99 TYR CA C 99 56.198 56.198 57.092 -0.894 19036 9579 1 14 . 1 1 99 99 TYR CB C 99 43.110 43.110 41.947 1.163 19036 9580 1 14 . 1 1 99 99 TYR H H 99 7.671 7.671 8.103 -0.432 19036 9581 1 14 . 1 1 100 100 ILE N N 100 127.320 127.320 124.002 3.318 19036 9582 1 14 . 1 1 100 100 ILE HA H 100 4.780 4.780 4.562 0.218 19036 9583 1 14 . 1 1 100 100 ILE CA C 100 60.731 60.731 60.300 0.431 19036 9584 1 14 . 1 1 100 100 ILE CB C 100 39.050 39.050 39.708 -0.658 19036 9585 1 14 . 1 1 100 100 ILE H H 100 10.163 10.163 8.941 1.222 19036 9586 1 14 . 1 1 101 101 SER N N 101 123.810 123.810 122.804 1.006 19036 9587 1 14 . 1 1 101 101 SER HA H 101 4.898 4.898 4.880 0.018 19036 9588 1 14 . 1 1 101 101 SER CA C 101 55.840 55.840 56.364 -0.524 19036 9589 1 14 . 1 1 101 101 SER CB C 101 66.799 66.799 66.371 0.428 19036 9590 1 14 . 1 1 101 101 SER H H 101 8.970 8.970 8.142 0.828 19036 9591 1 14 . 1 1 102 102 ALA N N 102 123.130 123.130 124.306 -1.176 19036 9592 1 14 . 1 1 102 102 ALA HA H 102 3.927 3.927 3.976 -0.049 19036 9593 1 14 . 1 1 102 102 ALA CA C 102 56.023 56.023 55.088 0.935 19036 9594 1 14 . 1 1 102 102 ALA CB C 102 18.139 18.139 18.087 0.052 19036 9595 1 14 . 1 1 102 102 ALA H H 102 9.269 9.269 8.861 0.408 19036 9596 1 14 . 1 1 103 103 ALA N N 103 118.460 118.460 120.474 -2.014 19036 9597 1 14 . 1 1 103 103 ALA HA H 103 4.058 4.058 4.104 -0.046 19036 9598 1 14 . 1 1 103 103 ALA CA C 103 55.250 55.250 54.751 0.499 19036 9599 1 14 . 1 1 103 103 ALA CB C 103 18.492 18.492 18.121 0.371 19036 9600 1 14 . 1 1 103 103 ALA H H 103 8.294 8.294 8.403 -0.109 19036 9601 1 14 . 1 1 104 104 GLU N N 104 120.070 120.070 119.081 0.989 19036 9602 1 14 . 1 1 104 104 GLU HA H 104 4.073 4.073 4.028 0.045 19036 9603 1 14 . 1 1 104 104 GLU CA C 104 59.567 59.567 59.255 0.312 19036 9604 1 14 . 1 1 104 104 GLU CB C 104 29.262 29.262 29.534 -0.272 19036 9605 1 14 . 1 1 104 104 GLU H H 104 7.939 7.939 7.728 0.211 19036 9606 1 14 . 1 1 105 105 LEU N N 105 120.990 120.990 119.887 1.103 19036 9607 1 14 . 1 1 105 105 LEU HA H 105 4.133 4.133 4.101 0.032 19036 9608 1 14 . 1 1 105 105 LEU CA C 105 58.618 58.618 58.406 0.212 19036 9609 1 14 . 1 1 105 105 LEU CB C 105 42.210 42.210 41.972 0.238 19036 9610 1 14 . 1 1 105 105 LEU H H 105 8.534 8.534 7.509 1.025 19036 9611 1 14 . 1 1 106 106 ARG N N 106 117.580 117.580 118.164 -0.584 19036 9612 1 14 . 1 1 106 106 ARG HA H 106 3.832 3.832 4.019 -0.187 19036 9613 1 14 . 1 1 106 106 ARG CA C 106 60.041 60.041 59.643 0.398 19036 9614 1 14 . 1 1 106 106 ARG CB C 106 30.648 30.648 29.963 0.685 19036 9615 1 14 . 1 1 106 106 ARG H H 106 8.667 8.667 7.627 1.040 19036 9616 1 14 . 1 1 107 107 HIS N N 107 118.880 118.880 119.803 -0.923 19036 9617 1 14 . 1 1 107 107 HIS HA H 107 4.338 4.338 4.322 0.016 19036 9618 1 14 . 1 1 107 107 HIS CA C 107 59.771 59.771 58.970 0.801 19036 9619 1 14 . 1 1 107 107 HIS CB C 107 30.491 30.491 29.596 0.895 19036 9620 1 14 . 1 1 107 107 HIS H H 107 8.071 8.071 7.682 0.389 19036 9621 1 14 . 1 1 108 108 VAL N N 108 119.170 119.170 118.997 0.173 19036 9622 1 14 . 1 1 108 108 VAL HA H 108 3.556 3.556 3.441 0.115 19036 9623 1 14 . 1 1 108 108 VAL CA C 108 66.580 66.580 66.471 0.109 19036 9624 1 14 . 1 1 108 108 VAL CB C 108 31.920 31.920 31.439 0.481 19036 9625 1 14 . 1 1 108 108 VAL H H 108 8.107 8.107 7.529 0.578 19036 9626 1 14 . 1 1 109 109 MET N N 109 116.290 116.290 117.839 -1.549 19036 9627 1 14 . 1 1 109 109 MET HA H 109 4.326 4.326 4.102 0.224 19036 9628 1 14 . 1 1 109 109 MET CA C 109 57.824 57.824 59.425 -1.601 19036 9629 1 14 . 1 1 109 109 MET CB C 109 31.052 31.052 32.522 -1.470 19036 9630 1 14 . 1 1 109 109 MET H H 109 8.280 8.280 7.829 0.451 19036 9631 1 14 . 1 1 110 110 THR N N 110 115.190 115.190 116.795 -1.605 19036 9632 1 14 . 1 1 110 110 THR HA H 110 4.166 4.166 4.231 -0.065 19036 9633 1 14 . 1 1 110 110 THR CA C 110 66.182 66.182 66.847 -0.665 19036 9634 1 14 . 1 1 110 110 THR CB C 110 68.951 68.951 68.726 0.225 19036 9635 1 14 . 1 1 110 110 THR H H 110 8.244 8.244 8.072 0.172 19036 9636 1 14 . 1 1 111 111 ASN N N 111 122.310 122.310 119.890 2.420 19036 9637 1 14 . 1 1 111 111 ASN HA H 111 4.502 4.502 4.532 -0.030 19036 9638 1 14 . 1 1 111 111 ASN CA C 111 55.931 55.931 55.566 0.365 19036 9639 1 14 . 1 1 111 111 ASN CB C 111 38.585 38.585 38.166 0.418 19036 9640 1 14 . 1 1 111 111 ASN H H 111 7.904 7.904 7.916 -0.012 19036 9641 1 14 . 1 1 112 112 LEU N N 112 118.850 118.850 118.348 0.502 19036 9642 1 14 . 1 1 112 112 LEU HA H 112 4.354 4.354 4.515 -0.161 19036 9643 1 14 . 1 1 112 112 LEU CA C 112 55.274 55.274 54.578 0.696 19036 9644 1 14 . 1 1 112 112 LEU CB C 112 42.218 42.218 41.613 0.605 19036 9645 1 14 . 1 1 112 112 LEU H H 112 7.873 7.873 7.284 0.589 19036 9646 1 14 . 1 1 113 113 GLY N N 113 106.700 106.700 108.104 -1.404 19036 9647 1 14 . 1 1 113 113 GLY CA C 113 45.596 45.596 45.104 0.492 19036 9648 1 14 . 1 1 113 113 GLY H H 113 7.844 7.844 7.721 0.123 19036 9649 1 14 . 1 1 114 114 GLU N N 114 120.140 120.140 121.351 -1.211 19036 9650 1 14 . 1 1 114 114 GLU HA H 114 4.459 4.459 4.520 -0.061 19036 9651 1 14 . 1 1 114 114 GLU CA C 114 55.046 55.046 55.268 -0.222 19036 9652 1 14 . 1 1 114 114 GLU CB C 114 30.469 30.469 31.532 -1.063 19036 9653 1 14 . 1 1 114 114 GLU H H 114 7.946 7.946 7.743 0.203 19036 9654 1 14 . 1 1 115 115 LYS N N 115 124.130 124.130 126.225 -2.095 19036 9655 1 14 . 1 1 115 115 LYS HA H 115 4.394 4.394 4.601 -0.207 19036 9656 1 14 . 1 1 115 115 LYS CA C 115 55.794 55.794 56.042 -0.248 19036 9657 1 14 . 1 1 115 115 LYS CB C 115 32.191 32.191 33.493 -1.302 19036 9658 1 14 . 1 1 115 115 LYS H H 115 8.646 8.646 8.634 0.012 19036 9659 1 14 . 1 1 116 116 LEU N N 116 124.840 124.840 126.623 -1.783 19036 9660 1 14 . 1 1 116 116 LEU HA H 116 4.793 4.793 4.815 -0.022 19036 9661 1 14 . 1 1 116 116 LEU CA C 116 54.127 54.127 52.828 1.299 19036 9662 1 14 . 1 1 116 116 LEU CB C 116 44.934 44.934 44.209 0.725 19036 9663 1 14 . 1 1 116 116 LEU H H 116 8.097 8.097 8.366 -0.269 19036 9664 1 14 . 1 1 117 117 THR N N 117 114.690 114.690 111.290 3.400 19036 9665 1 14 . 1 1 117 117 THR HA H 117 4.492 4.492 4.611 -0.119 19036 9666 1 14 . 1 1 117 117 THR CA C 117 60.751 60.751 60.646 0.105 19036 9667 1 14 . 1 1 117 117 THR CB C 117 71.303 71.303 71.111 0.192 19036 9668 1 14 . 1 1 117 117 THR H H 117 9.252 9.252 7.984 1.268 19036 9669 1 14 . 1 1 118 118 ASP N N 118 121.130 121.130 122.101 -0.971 19036 9670 1 14 . 1 1 118 118 ASP HA H 118 4.232 4.232 4.327 -0.095 19036 9671 1 14 . 1 1 118 118 ASP CA C 118 58.080 58.080 57.254 0.827 19036 9672 1 14 . 1 1 118 118 ASP CB C 118 39.870 39.870 39.895 -0.025 19036 9673 1 14 . 1 1 118 118 ASP H H 118 8.936 8.936 8.883 0.053 19036 9674 1 14 . 1 1 119 119 GLU N N 119 119.110 119.110 119.492 -0.382 19036 9675 1 14 . 1 1 119 119 GLU HA H 119 4.117 4.117 4.068 0.049 19036 9676 1 14 . 1 1 119 119 GLU CA C 119 60.043 60.043 59.518 0.525 19036 9677 1 14 . 1 1 119 119 GLU CB C 119 29.135 29.135 29.102 0.033 19036 9678 1 14 . 1 1 119 119 GLU H H 119 8.715 8.715 8.736 -0.021 19036 9679 1 14 . 1 1 120 120 GLU N N 120 120.680 120.680 119.256 1.424 19036 9680 1 14 . 1 1 120 120 GLU HA H 120 4.062 4.062 4.135 -0.073 19036 9681 1 14 . 1 1 120 120 GLU CA C 120 59.138 59.138 59.146 -0.008 19036 9682 1 14 . 1 1 120 120 GLU CB C 120 30.420 30.420 29.539 0.881 19036 9683 1 14 . 1 1 120 120 GLU H H 120 7.809 7.809 7.561 0.248 19036 9684 1 14 . 1 1 121 121 VAL N N 121 120.660 120.660 119.153 1.507 19036 9685 1 14 . 1 1 121 121 VAL HA H 121 3.637 3.637 3.743 -0.106 19036 9686 1 14 . 1 1 121 121 VAL CA C 121 67.003 67.003 65.500 1.503 19036 9687 1 14 . 1 1 121 121 VAL CB C 121 31.463 31.463 31.197 0.266 19036 9688 1 14 . 1 1 121 121 VAL H H 121 8.079 8.079 8.085 -0.006 19036 9689 1 14 . 1 1 122 122 ASP N N 122 119.590 119.590 120.396 -0.806 19036 9690 1 14 . 1 1 122 122 ASP HA H 122 4.349 4.349 4.317 0.032 19036 9691 1 14 . 1 1 122 122 ASP CA C 122 57.718 57.718 57.651 0.067 19036 9692 1 14 . 1 1 122 122 ASP CB C 122 40.593 40.593 40.837 -0.243 19036 9693 1 14 . 1 1 122 122 ASP H H 122 8.124 8.124 8.555 -0.431 19036 9694 1 14 . 1 1 123 123 GLU N N 123 119.760 119.760 119.507 0.253 19036 9695 1 14 . 1 1 123 123 GLU HA H 123 4.051 4.051 4.009 0.042 19036 9696 1 14 . 1 1 123 123 GLU CA C 123 59.144 59.144 58.907 0.237 19036 9697 1 14 . 1 1 123 123 GLU CB C 123 29.161 29.161 29.559 -0.398 19036 9698 1 14 . 1 1 123 123 GLU H H 123 8.034 8.034 8.038 -0.004 19036 9699 1 14 . 1 1 124 124 MET N N 124 119