data_19510 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19510 _Entry.PDB_ID 2MDZ 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 19510 _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 4 4 PHE N N 4 122.548 122.548 124.582 -2.034 19510 2 1 1 . 1 1 4 4 PHE HA H 4 4.680 4.680 4.573 0.107 19510 3 1 1 . 1 1 4 4 PHE CA C 4 57.087 57.087 58.195 -1.108 19510 4 1 1 . 1 1 4 4 PHE CB C 4 38.126 38.126 42.108 -3.982 19510 5 1 1 . 1 1 4 4 PHE H H 4 8.328 8.328 7.879 0.449 19510 6 1 1 . 1 1 7 7 ARG N N 7 121.962 121.962 119.527 2.435 19510 7 1 1 . 1 1 7 7 ARG HA H 7 4.265 4.265 4.011 0.254 19510 8 1 1 . 1 1 7 7 ARG C C 7 176.683 176.683 175.074 1.609 19510 9 1 1 . 1 1 7 7 ARG CA C 7 56.502 56.502 56.915 -0.413 19510 10 1 1 . 1 1 7 7 ARG CB C 7 28.840 28.840 30.496 -1.656 19510 11 1 1 . 1 1 7 7 ARG H H 7 8.339 8.339 7.869 0.470 19510 12 1 1 . 1 1 8 8 GLU N N 8 121.095 121.095 121.113 -0.018 19510 13 1 1 . 1 1 8 8 GLU HA H 8 4.233 4.233 4.252 -0.019 19510 14 1 1 . 1 1 8 8 GLU C C 8 176.964 176.964 176.680 0.284 19510 15 1 1 . 1 1 8 8 GLU CA C 8 57.517 57.517 56.598 0.919 19510 16 1 1 . 1 1 8 8 GLU CB C 8 27.744 27.744 29.959 -2.215 19510 17 1 1 . 1 1 8 8 GLU H H 8 8.384 8.384 8.485 -0.101 19510 18 1 1 . 1 1 9 9 ARG N N 9 121.320 121.320 121.085 0.235 19510 19 1 1 . 1 1 9 9 ARG HA H 9 4.310 4.310 4.378 -0.068 19510 20 1 1 . 1 1 9 9 ARG C C 9 176.563 176.563 175.622 0.941 19510 21 1 1 . 1 1 9 9 ARG CA C 9 56.233 56.233 55.587 0.646 19510 22 1 1 . 1 1 9 9 ARG CB C 9 28.977 28.977 31.570 -2.593 19510 23 1 1 . 1 1 9 9 ARG H H 9 8.291 8.291 8.249 0.042 19510 24 1 1 . 1 1 10 10 ALA N N 10 123.900 123.900 122.423 1.477 19510 25 1 1 . 1 1 10 10 ALA HA H 10 4.333 4.333 4.643 -0.310 19510 26 1 1 . 1 1 10 10 ALA C C 10 178.129 178.129 176.687 1.442 19510 27 1 1 . 1 1 10 10 ALA CA C 10 52.348 52.348 52.059 0.289 19510 28 1 1 . 1 1 10 10 ALA CB C 10 17.396 17.396 19.621 -2.225 19510 29 1 1 . 1 1 10 10 ALA H H 10 8.225 8.225 8.622 -0.397 19510 30 1 1 . 1 1 11 11 HIS N N 11 117.829 117.829 119.500 -1.671 19510 31 1 1 . 1 1 11 11 HIS HA H 11 4.740 4.740 4.531 0.209 19510 32 1 1 . 1 1 11 11 HIS C C 11 175.013 175.013 174.765 0.248 19510 33 1 1 . 1 1 11 11 HIS CA C 11 55.041 55.041 55.321 -0.280 19510 34 1 1 . 1 1 11 11 HIS CB C 11 27.391 27.391 29.142 -1.750 19510 35 1 1 . 1 1 11 11 HIS H H 11 8.500 8.500 9.005 -0.505 19510 36 1 1 . 1 1 12 12 GLU N N 12 121.398 121.398 119.141 2.257 19510 37 1 1 . 1 1 12 12 GLU HA H 12 4.326 4.326 3.934 0.392 19510 38 1 1 . 1 1 12 12 GLU C C 12 176.808 176.808 176.217 0.591 19510 39 1 1 . 1 1 12 12 GLU CA C 12 56.517 56.517 56.810 -0.293 19510 40 1 1 . 1 1 12 12 GLU CB C 12 28.289 28.289 28.519 -0.230 19510 41 1 1 . 1 1 12 12 GLU H H 12 8.456 8.456 8.097 0.359 19510 42 1 1 . 1 1 13 13 ALA N N 13 124.231 124.231 126.644 -2.413 19510 43 1 1 . 1 1 13 13 ALA HA H 13 4.309 4.309 3.849 0.460 19510 44 1 1 . 1 1 13 13 ALA C C 13 178.197 178.197 178.945 -0.748 19510 45 1 1 . 1 1 13 13 ALA CA C 13 53.511 53.511 53.856 -0.345 19510 46 1 1 . 1 1 13 13 ALA CB C 13 17.174 17.174 17.941 -0.767 19510 47 1 1 . 1 1 13 13 ALA H H 13 8.444 8.444 8.599 -0.155 19510 48 1 1 . 1 1 14 14 LYS N N 14 120.159 120.159 118.353 1.806 19510 49 1 1 . 1 1 14 14 LYS HA H 14 4.257 4.257 4.266 -0.009 19510 50 1 1 . 1 1 14 14 LYS C C 14 176.757 176.757 178.797 -2.040 19510 51 1 1 . 1 1 14 14 LYS CA C 14 56.461 56.461 58.943 -2.482 19510 52 1 1 . 1 1 14 14 LYS CB C 14 31.191 31.191 32.477 -1.286 19510 53 1 1 . 1 1 14 14 LYS H H 14 8.136 8.136 7.494 0.642 19510 54 1 1 . 1 1 15 15 PHE N N 15 118.588 118.588 117.483 1.105 19510 55 1 1 . 1 1 15 15 PHE HA H 15 4.527 4.527 4.386 0.141 19510 56 1 1 . 1 1 15 15 PHE C C 15 175.635 175.635 176.336 -0.701 19510 57 1 1 . 1 1 15 15 PHE CA C 15 57.992 57.992 59.683 -1.691 19510 58 1 1 . 1 1 15 15 PHE CB C 15 37.908 37.908 38.936 -1.028 19510 59 1 1 . 1 1 15 15 PHE H H 15 7.998 7.998 8.175 -0.177 19510 60 1 1 . 1 1 16 16 ALA N N 16 122.847 122.847 118.538 4.309 19510 61 1 1 . 1 1 16 16 ALA HA H 16 4.317 4.317 4.496 -0.179 19510 62 1 1 . 1 1 16 16 ALA C C 16 177.641 177.641 175.773 1.868 19510 63 1 1 . 1 1 16 16 ALA CA C 16 52.317 52.317 52.036 0.281 19510 64 1 1 . 1 1 16 16 ALA CB C 16 17.378 17.378 19.422 -2.044 19510 65 1 1 . 1 1 16 16 ALA H H 16 8.172 8.172 7.998 0.174 19510 66 1 1 . 1 1 17 17 HIS N N 17 115.904 115.904 117.843 -1.939 19510 67 1 1 . 1 1 17 17 HIS HA H 17 4.839 4.839 4.730 0.109 19510 68 1 1 . 1 1 17 17 HIS CA C 17 54.594 54.594 56.072 -1.478 19510 69 1 1 . 1 1 17 17 HIS CB C 17 27.532 27.532 32.108 -4.576 19510 70 1 1 . 1 1 17 17 HIS H H 17 8.218 8.218 8.395 -0.177 19510 71 1 1 . 1 1 18 18 ASP N N 18 121.432 121.432 121.801 -0.369 19510 72 1 1 . 1 1 18 18 ASP HA H 18 4.758 4.758 4.694 0.064 19510 73 1 1 . 1 1 18 18 ASP CA C 18 53.004 53.004 54.636 -1.631 19510 74 1 1 . 1 1 18 18 ASP CB C 18 39.571 39.571 41.592 -2.021 19510 75 1 1 . 1 1 18 18 ASP H H 18 8.103 8.103 7.974 0.129 19510 76 1 1 . 1 1 19 19 ALA N N 19 126.628 126.628 123.732 2.896 19510 77 1 1 . 1 1 19 19 ALA HA H 19 4.303 4.303 4.215 0.088 19510 78 1 1 . 1 1 19 19 ALA CA C 19 53.177 53.177 54.266 -1.089 19510 79 1 1 . 1 1 19 19 ALA CB C 19 17.231 17.231 19.510 -2.279 19510 80 1 1 . 1 1 19 19 ALA H H 19 8.588 8.588 8.351 0.237 19510 81 1 1 . 1 1 20 20 GLU N N 20 119.826 119.826 119.295 0.531 19510 82 1 1 . 1 1 20 20 GLU HA H 20 4.314 4.314 4.136 0.178 19510 83 1 1 . 1 1 20 20 GLU CA C 20 57.403 57.403 59.372 -1.969 19510 84 1 1 . 1 1 20 20 GLU CB C 20 27.780 27.780 29.191 -1.411 19510 85 1 1 . 1 1 20 20 GLU H H 20 8.391 8.391 8.757 -0.366 19510 86 1 1 . 1 1 21 21 LEU N N 21 122.268 122.268 117.773 4.495 19510 87 1 1 . 1 1 21 21 LEU HA H 21 4.179 4.179 4.226 -0.047 19510 88 1 1 . 1 1 21 21 LEU CA C 21 56.531 56.531 56.821 -0.290 19510 89 1 1 . 1 1 21 21 LEU CB C 21 40.255 40.255 41.565 -1.310 19510 90 1 1 . 1 1 21 21 LEU H H 21 8.134 8.134 8.164 -0.030 19510 91 1 1 . 1 1 22 22 ASN N N 22 118.005 118.005 119.678 -1.673 19510 92 1 1 . 1 1 22 22 ASN HA H 22 4.665 4.665 3.690 0.975 19510 93 1 1 . 1 1 22 22 ASN CA C 22 55.493 55.493 55.550 -0.057 19510 94 1 1 . 1 1 22 22 ASN CB C 22 37.084 37.084 37.881 -0.797 19510 95 1 1 . 1 1 22 22 ASN H H 22 8.456 8.456 7.751 0.705 19510 96 1 1 . 1 1 23 23 PHE N N 23 121.379 121.379 121.048 0.331 19510 97 1 1 . 1 1 23 23 PHE HA H 23 4.509 4.509 3.986 0.523 19510 98 1 1 . 1 1 23 23 PHE CA C 23 59.496 59.496 61.380 -1.884 19510 99 1 1 . 1 1 23 23 PHE CB C 23 37.380 37.380 38.889 -1.508 19510 100 1 1 . 1 1 23 23 PHE H H 23 8.453 8.453 8.866 -0.413 19510 101 1 1 . 1 1 24 24 LYS N N 24 120.674 120.674 118.645 2.029 19510 102 1 1 . 1 1 24 24 LYS HA H 24 4.191 4.191 3.913 0.278 19510 103 1 1 . 1 1 24 24 LYS C C 24 179.309 179.309 178.657 0.652 19510 104 1 1 . 1 1 24 24 LYS CA C 24 58.132 58.132 59.487 -1.355 19510 105 1 1 . 1 1 24 24 LYS CB C 24 31.828 31.828 31.835 -0.007 19510 106 1 1 . 1 1 24 24 LYS H H 24 8.504 8.504 7.766 0.738 19510 107 1 1 . 1 1 25 25 ALA N N 25 123.584 123.584 120.633 2.951 19510 108 1 1 . 1 1 25 25 ALA HA H 25 4.146 4.146 4.245 -0.099 19510 109 1 1 . 1 1 25 25 ALA C C 25 178.243 178.243 178.755 -0.512 19510 110 1 1 . 1 1 25 25 ALA CA C 25 53.760 53.760 53.824 -0.064 19510 111 1 1 . 1 1 25 25 ALA CB C 25 16.827 16.827 18.559 -1.732 19510 112 1 1 . 1 1 25 25 ALA H H 25 8.841 8.841 7.676 1.165 19510 113 1 1 . 1 1 26 26 GLU N N 26 122.239 122.239 118.313 3.926 19510 114 1 1 . 1 1 26 26 GLU HA H 26 4.083 4.083 3.976 0.107 19510 115 1 1 . 1 1 26 26 GLU C C 26 177.265 177.265 177.455 -0.190 19510 116 1 1 . 1 1 26 26 GLU CA C 26 57.850 57.850 58.788 -0.938 19510 117 1 1 . 1 1 26 26 GLU CB C 26 28.891 28.891 29.879 -0.988 19510 118 1 1 . 1 1 26 26 GLU H H 26 8.482 8.482 7.866 0.616 19510 119 1 1 . 1 1 27 27 ALA N N 27 122.124 122.124 120.774 1.350 19510 120 1 1 . 1 1 27 27 ALA HA H 27 4.352 4.352 4.397 -0.045 19510 121 1 1 . 1 1 27 27 ALA C C 27 180.552 180.552 179.126 1.426 19510 122 1 1 . 1 1 27 27 ALA CA C 27 53.519 53.519 52.766 0.753 19510 123 1 1 . 1 1 27 27 ALA CB C 27 16.410 16.410 19.963 -3.553 19510 124 1 1 . 1 1 27 27 ALA H H 27 8.043 8.043 7.956 0.087 19510 125 1 1 . 1 1 28 28 ARG N N 28 120.375 120.375 117.769 2.606 19510 126 1 1 . 1 1 28 28 ARG HA H 28 4.441 4.441 3.952 0.489 19510 127 1 1 . 1 1 28 28 ARG C C 28 176.309 176.309 177.894 -1.585 19510 128 1 1 . 1 1 28 28 ARG CA C 28 55.369 55.369 58.716 -3.347 19510 129 1 1 . 1 1 28 28 ARG CB C 28 28.480 28.480 29.166 -0.686 19510 130 1 1 . 1 1 28 28 ARG H H 28 8.101 8.101 8.441 -0.340 19510 131 1 1 . 1 1 29 29 ARG N N 29 122.734 122.734 117.049 5.685 19510 132 1 1 . 1 1 29 29 ARG HA H 29 3.743 3.743 4.000 -0.257 19510 133 1 1 . 1 1 29 29 ARG CA C 29 58.672 58.672 58.607 0.065 19510 134 1 1 . 1 1 29 29 ARG CB C 29 29.051 29.051 29.421 -0.370 19510 135 1 1 . 1 1 29 29 ARG H H 29 8.901 8.901 8.306 0.595 19510 136 1 1 . 1 1 30 30 ASN N N 30 119.961 119.961 115.235 4.726 19510 137 1 1 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.784 -0.150 19510 138 1 1 . 1 1 30 30 ASN C C 30 175.888 175.888 177.265 -1.377 19510 139 1 1 . 1 1 30 30 ASN CA C 30 55.147 55.147 53.441 1.706 19510 140 1 1 . 1 1 30 30 ASN CB C 30 35.418 35.418 39.560 -4.142 19510 141 1 1 . 1 1 30 30 ASN H H 30 8.429 8.429 8.261 0.168 19510 142 1 1 . 1 1 31 31 ARG N N 31 123.400 123.400 122.488 0.912 19510 143 1 1 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.093 0.189 19510 144 1 1 . 1 1 31 31 ARG C C 31 177.804 177.804 177.643 0.161 19510 145 1 1 . 1 1 31 31 ARG CA C 31 58.132 58.132 58.910 -0.778 19510 146 1 1 . 1 1 31 31 ARG CB C 31 27.636 27.636 29.990 -2.354 19510 147 1 1 . 1 1 31 31 ARG H H 31 8.052 8.052 7.819 0.233 19510 148 1 1 . 1 1 32 32 LEU N N 32 119.872 119.872 114.203 5.669 19510 149 1 1 . 1 1 32 32 LEU HA H 32 4.318 4.318 4.665 -0.347 19510 150 1 1 . 1 1 32 32 LEU C C 32 180.602 180.602 177.687 2.915 19510 151 1 1 . 1 1 32 32 LEU CA C 32 56.471 56.471 54.920 1.551 19510 152 1 1 . 1 1 32 32 LEU CB C 32 40.558 40.558 40.983 -0.425 19510 153 1 1 . 1 1 32 32 LEU H H 32 8.752 8.752 7.468 1.284 19510 154 1 1 . 1 1 33 33 LEU N N 33 124.468 124.468 120.757 3.711 19510 155 1 1 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.261 0.040 19510 156 1 1 . 1 1 33 33 LEU C C 33 177.992 177.992 178.885 -0.893 19510 157 1 1 . 1 1 33 33 LEU CA C 33 56.482 56.482 57.650 -1.167 19510 158 1 1 . 1 1 33 33 LEU CB C 33 41.626 41.626 41.498 0.128 19510 159 1 1 . 1 1 33 33 LEU H H 33 9.273 9.273 7.961 1.312 19510 160 1 1 . 1 1 34 34 GLY N N 34 109.045 109.045 106.706 2.339 19510 161 1 1 . 1 1 34 34 GLY C C 34 174.530 174.530 175.505 -0.975 19510 162 1 1 . 1 1 34 34 GLY CA C 34 45.447 45.447 47.048 -1.601 19510 163 1 1 . 1 1 34 34 GLY H H 34 8.907 8.907 8.504 0.403 19510 164 1 1 . 1 1 35 35 GLU N N 35 123.414 123.414 121.235 2.179 19510 165 1 1 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.145 0.032 19510 166 1 1 . 1 1 35 35 GLU C C 35 178.866 178.866 178.532 0.334 19510 167 1 1 . 1 1 35 35 GLU CA C 35 59.564 59.564 58.394 1.170 19510 168 1 1 . 1 1 35 35 GLU CB C 35 27.692 27.692 29.346 -1.655 19510 169 1 1 . 1 1 35 35 GLU H H 35 8.935 8.935 8.578 0.357 19510 170 1 1 . 1 1 36 36 TRP N N 36 124.774 124.774 122.136 2.638 19510 171 1 1 . 1 1 36 36 TRP HA H 36 4.604 4.604 4.423 0.181 19510 172 1 1 . 1 1 36 36 TRP C C 36 177.618 177.618 177.159 0.459 19510 173 1 1 . 1 1 36 36 TRP CA C 36 58.867 58.867 60.531 -1.664 19510 174 1 1 . 1 1 36 36 TRP CB C 36 26.021 26.021 29.591 -3.570 19510 175 1 1 . 1 1 36 36 TRP H H 36 8.531 8.531 7.413 1.118 19510 176 1 1 . 1 1 37 37 ALA N N 37 123.777 123.777 121.279 2.498 19510 177 1 1 . 1 1 37 37 ALA HA H 37 3.403 3.403 3.294 0.109 19510 178 1 1 . 1 1 37 37 ALA C C 37 177.427 177.427 179.353 -1.926 19510 179 1 1 . 1 1 37 37 ALA CA C 37 53.148 53.148 54.529 -1.381 19510 180 1 1 . 1 1 37 37 ALA CB C 37 18.440 18.440 17.964 0.476 19510 181 1 1 . 1 1 37 37 ALA H H 37 9.141 9.141 8.118 1.023 19510 182 1 1 . 1 1 38 38 ALA N N 38 119.259 119.259 121.382 -2.123 19510 183 1 1 . 1 1 38 38 ALA HA H 38 3.523 3.523 3.892 -0.369 19510 184 1 1 . 1 1 38 38 ALA C C 38 178.670 178.670 179.513 -0.843 19510 185 1 1 . 1 1 38 38 ALA CA C 38 53.882 53.882 55.568 -1.686 19510 186 1 1 . 1 1 38 38 ALA CB C 38 17.083 17.083 18.080 -0.997 19510 187 1 1 . 1 1 38 38 ALA H H 38 8.788 8.788 8.759 0.029 19510 188 1 1 . 1 1 39 39 GLY N N 39 104.011 104.011 106.779 -2.768 19510 189 1 1 . 1 1 39 39 GLY C C 39 177.232 177.232 176.879 0.353 19510 190 1 1 . 1 1 39 39 GLY CA C 39 45.519 45.519 46.922 -1.403 19510 191 1 1 . 1 1 39 39 GLY H H 39 7.756 7.756 7.880 -0.124 19510 192 1 1 . 1 1 40 40 LEU N N 40 125.340 125.340 121.799 3.541 19510 193 1 1 . 1 1 40 40 LEU HA H 40 4.111 4.111 3.913 0.198 19510 194 1 1 . 1 1 40 40 LEU C C 40 178.203 178.203 178.347 -0.144 19510 195 1 1 . 1 1 40 40 LEU CA C 40 56.123 56.123 57.201 -1.078 19510 196 1 1 . 1 1 40 40 LEU CB C 40 40.764 40.764 41.614 -0.850 19510 197 1 1 . 1 1 40 40 LEU H H 40 7.511 7.511 7.347 0.164 19510 198 1 1 . 1 1 41 41 LEU N N 41 117.234 117.234 114.714 2.520 19510 199 1 1 . 1 1 41 41 LEU HA H 41 4.139 4.139 4.285 -0.146 19510 200 1 1 . 1 1 41 41 LEU C C 41 176.119 176.119 177.539 -1.420 19510 201 1 1 . 1 1 41 41 LEU CA C 41 53.213 53.213 54.692 -1.479 19510 202 1 1 . 1 1 41 41 LEU CB C 41 41.092 41.092 41.893 -0.801 19510 203 1 1 . 1 1 41 41 LEU H H 41 7.692 7.692 7.835 -0.143 19510 204 1 1 . 1 1 42 42 GLY N N 42 109.595 109.595 107.094 2.501 19510 205 1 1 . 1 1 42 42 GLY C C 42 173.775 173.775 174.279 -0.504 19510 206 1 1 . 1 1 42 42 GLY CA C 42 44.409 44.409 45.077 -0.667 19510 207 1 1 . 1 1 42 42 GLY H H 42 7.896 7.896 7.838 0.058 19510 208 1 1 . 1 1 43 43 LYS N N 43 119.965 119.965 122.220 -2.255 19510 209 1 1 . 1 1 43 43 LYS HA H 43 4.737 4.737 4.422 0.315 19510 210 1 1 . 1 1 43 43 LYS C C 43 175.246 175.246 175.469 -0.223 19510 211 1 1 . 1 1 43 43 LYS CA C 43 54.189 54.189 55.949 -1.760 19510 212 1 1 . 1 1 43 43 LYS CB C 43 33.208 33.208 33.278 -0.070 19510 213 1 1 . 1 1 43 43 LYS H H 43 8.104 8.104 8.070 0.034 19510 214 1 1 . 1 1 44 44 THR N N 44 114.199 114.199 112.170 2.029 19510 215 1 1 . 1 1 44 44 THR HA H 44 4.773 4.773 4.503 0.270 19510 216 1 1 . 1 1 44 44 THR C C 44 174.392 174.392 174.561 -0.169 19510 217 1 1 . 1 1 44 44 THR CA C 44 58.348 58.348 59.854 -1.506 19510 218 1 1 . 1 1 44 44 THR CB C 44 70.921 70.921 72.037 -1.116 19510 219 1 1 . 1 1 44 44 THR H H 44 8.958 8.958 8.184 0.774 19510 220 1 1 . 1 1 45 45 GLY N N 45 109.657 109.657 110.072 -0.415 19510 221 1 1 . 1 1 45 45 GLY C C 45 175.330 175.330 175.216 0.114 19510 222 1 1 . 1 1 45 45 GLY CA C 45 45.315 45.315 46.370 -1.055 19510 223 1 1 . 1 1 45 45 GLY H H 45 8.885 8.885 8.496 0.389 19510 224 1 1 . 1 1 46 46 ASP N N 46 128.403 128.403 123.669 4.734 19510 225 1 1 . 1 1 46 46 ASP HA H 46 4.561 4.561 4.494 0.067 19510 226 1 1 . 1 1 46 46 ASP C C 46 177.343 177.343 177.621 -0.278 19510 227 1 1 . 1 1 46 46 ASP CA C 46 55.829 55.829 56.278 -0.449 19510 228 1 1 . 1 1 46 46 ASP CB C 46 39.039 39.039 40.752 -1.713 19510 229 1 1 . 1 1 46 46 ASP H H 46 9.318 9.318 8.571 0.747 19510 230 1 1 . 1 1 47 47 ASP N N 47 121.367 121.367 119.201 2.166 19510 231 1 1 . 1 1 47 47 ASP HA H 47 4.668 4.668 4.412 0.256 19510 232 1 1 . 1 1 47 47 ASP CA C 47 55.545 55.545 57.380 -1.835 19510 233 1 1 . 1 1 47 47 ASP CB C 47 39.415 39.415 41.037 -1.622 19510 234 1 1 . 1 1 47 47 ASP H H 47 8.521 8.521 8.077 0.444 19510 235 1 1 . 1 1 48 48 ALA N N 48 123.210 123.210 122.432 0.778 19510 236 1 1 . 1 1 48 48 ALA HA H 48 3.940 3.940 4.187 -0.247 19510 237 1 1 . 1 1 48 48 ALA CA C 48 53.331 53.331 55.054 -1.723 19510 238 1 1 . 1 1 48 48 ALA CB C 48 16.036 16.036 18.848 -2.812 19510 239 1 1 . 1 1 48 48 ALA H H 48 7.262 7.262 7.361 -0.099 19510 240 1 1 . 1 1 49 49 ARG N N 49 120.088 120.088 119.516 0.572 19510 241 1 1 . 1 1 49 49 ARG HA H 49 4.126 4.126 4.052 0.074 19510 242 1 1 . 1 1 49 49 ARG CA C 49 57.876 57.876 59.288 -1.412 19510 243 1 1 . 1 1 49 49 ARG CB C 49 28.774 28.774 30.026 -1.252 19510 244 1 1 . 1 1 49 49 ARG H H 49 7.805 7.805 8.217 -0.412 19510 245 1 1 . 1 1 50 50 ALA N N 50 121.061 121.061 121.924 -0.863 19510 246 1 1 . 1 1 50 50 ALA HA H 50 4.218 4.218 4.126 0.092 19510 247 1 1 . 1 1 50 50 ALA CA C 50 53.399 53.399 54.404 -1.005 19510 248 1 1 . 1 1 50 50 ALA CB C 50 16.672 16.672 18.083 -1.411 19510 249 1 1 . 1 1 50 50 ALA H H 50 8.387 8.387 8.283 0.104 19510 250 1 1 . 1 1 51 51 TYR N N 51 119.264 119.264 120.587 -1.323 19510 251 1 1 . 1 1 51 51 TYR HA H 51 4.231 4.231 4.167 0.064 19510 252 1 1 . 1 1 51 51 TYR C C 51 178.335 178.335 177.782 0.553 19510 253 1 1 . 1 1 51 51 TYR CA C 51 60.493 60.493 60.003 0.490 19510 254 1 1 . 1 1 51 51 TYR CB C 51 37.094 37.094 38.554 -1.460 19510 255 1 1 . 1 1 51 51 TYR H H 51 8.095 8.095 7.690 0.405 19510 256 1 1 . 1 1 52 52 ALA N N 52 124.002 124.002 121.964 2.038 19510 257 1 1 . 1 1 52 52 ALA HA H 52 3.899 3.899 3.754 0.145 19510 258 1 1 . 1 1 52 52 ALA C C 52 178.352 178.352 179.094 -0.742 19510 259 1 1 . 1 1 52 52 ALA CA C 52 54.394 54.394 54.862 -0.468 19510 260 1 1 . 1 1 52 52 ALA CB C 52 16.369 16.369 18.390 -2.021 19510 261 1 1 . 1 1 52 52 ALA H H 52 8.651 8.651 8.589 0.062 19510 262 1 1 . 1 1 53 53 LEU N N 53 116.593 116.593 116.306 0.287 19510 263 1 1 . 1 1 53 53 LEU HA H 53 4.301 4.301 4.240 0.061 19510 264 1 1 . 1 1 53 53 LEU C C 53 177.452 177.452 177.367 0.085 19510 265 1 1 . 1 1 53 53 LEU CA C 53 55.412 55.412 55.786 -0.374 19510 266 1 1 . 1 1 53 53 LEU CB C 53 40.510 40.510 41.641 -1.131 19510 267 1 1 . 1 1 53 53 LEU H H 53 7.664 7.664 7.516 0.148 19510 268 1 1 . 1 1 54 54 THR N N 54 110.998 110.998 114.299 -3.301 19510 269 1 1 . 1 1 54 54 THR HA H 54 4.401 4.401 4.441 -0.040 19510 270 1 1 . 1 1 54 54 THR CA C 54 61.997 61.997 62.018 -0.021 19510 271 1 1 . 1 1 54 54 THR CB C 54 67.988 67.988 69.137 -1.149 19510 272 1 1 . 1 1 54 54 THR H H 54 7.962 7.962 7.769 0.193 19510 273 1 1 . 1 1 55 55 VAL N N 55 123.907 123.907 124.672 -0.765 19510 274 1 1 . 1 1 55 55 VAL HA H 55 3.869 3.869 4.287 -0.418 19510 275 1 1 . 1 1 55 55 VAL CA C 55 62.373 62.373 61.478 0.895 19510 276 1 1 . 1 1 55 55 VAL CB C 55 29.037 29.037 32.082 -3.045 19510 277 1 1 . 1 1 55 55 VAL H H 55 7.217 7.217 7.606 -0.389 19510 278 1 1 . 1 1 56 56 VAL N N 56 119.176 119.176 124.574 -5.398 19510 279 1 1 . 1 1 56 56 VAL HA H 56 4.300 4.300 4.749 -0.449 19510 280 1 1 . 1 1 56 56 VAL CA C 56 55.363 55.363 62.325 -6.962 19510 281 1 1 . 1 1 56 56 VAL CB C 56 32.466 32.466 35.094 -2.628 19510 282 1 1 . 1 1 56 56 VAL H H 56 7.474 7.474 8.037 -0.563 19510 283 1 1 . 1 1 57 57 THR N N 57 114.951 114.951 120.398 -5.447 19510 284 1 1 . 1 1 57 57 THR HA H 57 4.509 4.509 4.635 -0.126 19510 285 1 1 . 1 1 57 57 THR CA C 57 60.698 60.698 61.774 -1.076 19510 286 1 1 . 1 1 57 57 THR CB C 57 68.177 68.177 69.896 -1.719 19510 287 1 1 . 1 1 57 57 THR H H 57 7.992 7.992 9.421 -1.429 19510 288 1 1 . 1 1 58 58 SER N N 58 119.820 119.820 117.726 2.094 19510 289 1 1 . 1 1 58 58 SER HA H 58 4.554 4.554 4.163 0.391 19510 290 1 1 . 1 1 58 58 SER CA C 58 57.409 57.409 58.148 -0.739 19510 291 1 1 . 1 1 58 58 SER CB C 58 62.399 62.399 62.693 -0.294 19510 292 1 1 . 1 1 58 58 SER H H 58 8.473 8.473 8.119 0.354 19510 293 1 1 . 1 1 59 59 ASP N N 59 122.199 122.199 121.081 1.118 19510 294 1 1 . 1 1 59 59 ASP HA H 59 4.762 4.762 4.584 0.178 19510 295 1 1 . 1 1 59 59 ASP C C 59 175.459 175.459 176.976 -1.517 19510 296 1 1 . 1 1 59 59 ASP CA C 59 52.469 52.469 55.056 -2.587 19510 297 1 1 . 1 1 59 59 ASP CB C 59 39.455 39.455 41.522 -2.067 19510 298 1 1 . 1 1 59 59 ASP H H 59 8.285 8.285 7.884 0.401 19510 299 1 1 . 1 1 60 60 PHE HA H 60 4.182 4.182 4.284 -0.102 19510 300 1 1 . 1 1 60 60 PHE CA C 60 59.253 59.253 58.957 0.296 19510 301 1 1 . 1 1 60 60 PHE CB C 60 35.163 35.163 38.328 -3.164 19510 302 1 1 . 1 1 63 63 PRO HA H 63 4.606 4.606 4.358 0.248 19510 303 1 1 . 1 1 63 63 PRO CA C 63 55.716 55.716 63.071 -7.354 19510 304 1 1 . 1 1 63 63 PRO CB C 63 30.732 30.732 31.933 -1.202 19510 305 1 1 . 1 1 64 64 GLY N N 64 110.382 110.382 112.765 -2.383 19510 306 1 1 . 1 1 64 64 GLY CA C 64 44.280 44.280 45.438 -1.158 19510 307 1 1 . 1 1 64 64 GLY H H 64 8.706 8.706 8.589 0.117 19510 308 1 1 . 1 1 65 65 ASP N N 65 121.977 121.977 121.360 0.617 19510 309 1 1 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.630 0.033 19510 310 1 1 . 1 1 65 65 ASP CA C 65 55.765 55.765 53.740 2.025 19510 311 1 1 . 1 1 65 65 ASP CB C 65 39.579 39.579 42.926 -3.347 19510 312 1 1 . 1 1 65 65 ASP H H 65 8.661 8.661 7.994 0.667 19510 313 1 1 . 1 1 66 66 GLU N N 66 120.065 120.065 121.396 -1.331 19510 314 1 1 . 1 1 66 66 GLU HA H 66 4.437 4.437 4.066 0.371 19510 315 1 1 . 1 1 66 66 GLU CA C 66 57.520 57.520 57.027 0.493 19510 316 1 1 . 1 1 66 66 GLU CB C 66 27.598 27.598 28.356 -0.758 19510 317 1 1 . 1 1 66 66 GLU H H 66 8.643 8.643 8.508 0.135 19510 318 1 1 . 1 1 67 67 ASP N N 67 120.033 120.033 121.733 -1.700 19510 319 1 1 . 1 1 67 67 ASP HA H 67 4.609 4.609 4.776 -0.167 19510 320 1 1 . 1 1 67 67 ASP CA C 67 55.601 55.601 56.439 -0.838 19510 321 1 1 . 1 1 67 67 ASP CB C 67 39.106 39.106 42.701 -3.595 19510 322 1 1 . 1 1 67 67 ASP H H 67 8.272 8.272 8.721 -0.449 19510 323 1 1 . 1 1 68 68 VAL N N 68 123.206 123.206 121.475 1.731 19510 324 1 1 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.741 0.076 19510 325 1 1 . 1 1 68 68 VAL CA C 68 65.715 65.715 67.226 -1.511 19510 326 1 1 . 1 1 68 68 VAL CB C 68 30.705 30.705 31.723 -1.018 19510 327 1 1 . 1 1 68 68 VAL H H 68 8.045 8.045 8.789 -0.744 19510 328 1 1 . 1 1 69 69 PHE N N 69 120.600 120.600 121.041 -0.441 19510 329 1 1 . 1 1 69 69 PHE HA H 69 4.158 4.158 4.141 0.017 19510 330 1 1 . 1 1 69 69 PHE CA C 69 61.013 61.013 61.335 -0.322 19510 331 1 1 . 1 1 69 69 PHE CB C 69 37.455 37.455 38.455 -1.000 19510 332 1 1 . 1 1 69 69 PHE H H 69 8.488 8.488 7.979 0.509 19510 333 1 1 . 1 1 70 70 ARG N N 70 117.820 117.820 119.601 -1.781 19510 334 1 1 . 1 1 70 70 ARG HA H 70 3.755 3.755 3.658 0.097 19510 335 1 1 . 1 1 70 70 ARG C C 70 178.813 178.813 178.404 0.409 19510 336 1 1 . 1 1 70 70 ARG CA C 70 58.184 58.184 59.586 -1.402 19510 337 1 1 . 1 1 70 70 ARG CB C 70 28.899 28.899 29.999 -1.100 19510 338 1 1 . 1 1 70 70 ARG H H 70 8.611 8.611 8.417 0.194 19510 339 1 1 . 1 1 71 71 LYS N N 71 121.726 121.726 119.412 2.314 19510 340 1 1 . 1 1 71 71 LYS HA H 71 4.253 4.253 4.153 0.100 19510 341 1 1 . 1 1 71 71 LYS C C 71 177.020 177.020 179.069 -2.049 19510 342 1 1 . 1 1 71 71 LYS CA C 71 58.490 58.490 59.029 -0.539 19510 343 1 1 . 1 1 71 71 LYS CB C 71 31.216 31.216 32.207 -0.991 19510 344 1 1 . 1 1 71 71 LYS H H 71 7.686 7.686 8.178 -0.492 19510 345 1 1 . 1 1 72 72 LEU N N 72 119.355 119.355 121.332 -1.977 19510 346 1 1 . 1 1 72 72 LEU HA H 72 4.051 4.051 4.001 0.050 19510 347 1 1 . 1 1 72 72 LEU C C 72 177.378 177.378 178.918 -1.540 19510 348 1 1 . 1 1 72 72 LEU CA C 72 56.317 56.317 58.627 -2.311 19510 349 1 1 . 1 1 72 72 LEU CB C 72 41.148 41.148 42.030 -0.882 19510 350 1 1 . 1 1 72 72 LEU H H 72 8.215 8.215 8.744 -0.529 19510 351 1 1 . 1 1 73 73 ALA N N 73 121.106 121.106 119.193 1.913 19510 352 1 1 . 1 1 73 73 ALA HA H 73 3.767 3.767 4.131 -0.364 19510 353 1 1 . 1 1 73 73 ALA C C 73 179.644 179.644 178.336 1.308 19510 354 1 1 . 1 1 73 73 ALA CA C 73 53.263 53.263 54.407 -1.143 19510 355 1 1 . 1 1 73 73 ALA CB C 73 15.930 15.930 18.448 -2.518 19510 356 1 1 . 1 1 73 73 ALA H H 73 9.143 9.143 8.752 0.391 19510 357 1 1 . 1 1 74 74 ALA N N 74 119.383 119.383 121.114 -1.731 19510 358 1 1 . 1 1 74 74 ALA HA H 74 4.384 4.384 4.179 0.205 19510 359 1 1 . 1 1 74 74 ALA C C 74 179.752 179.752 179.771 -0.019 19510 360 1 1 . 1 1 74 74 ALA CA C 74 53.524 53.524 53.686 -0.162 19510 361 1 1 . 1 1 74 74 ALA CB C 74 17.094 17.094 18.882 -1.788 19510 362 1 1 . 1 1 74 74 ALA H H 74 7.403 7.403 7.371 0.032 19510 363 1 1 . 1 1 75 75 ASP N N 75 120.226 120.226 121.084 -0.858 19510 364 1 1 . 1 1 75 75 ASP HA H 75 4.523 4.523 4.420 0.103 19510 365 1 1 . 1 1 75 75 ASP C C 75 177.704 177.704 177.810 -0.106 19510 366 1 1 . 1 1 75 75 ASP CA C 75 55.312 55.312 57.248 -1.936 19510 367 1 1 . 1 1 75 75 ASP CB C 75 38.326 38.326 41.354 -3.028 19510 368 1 1 . 1 1 75 75 ASP H H 75 8.536 8.536 8.416 0.120 19510 369 1 1 . 1 1 76 76 LEU N N 76 115.468 115.468 118.849 -3.381 19510 370 1 1 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.369 0.023 19510 371 1 1 . 1 1 76 76 LEU C C 76 174.790 174.790 175.202 -0.412 19510 372 1 1 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.124 -0.500 19510 373 1 1 . 1 1 76 76 LEU CB C 76 39.594 39.594 42.026 -2.432 19510 374 1 1 . 1 1 76 76 LEU H H 76 8.612 8.612 8.276 0.336 19510 375 1 1 . 1 1 77 77 GLU N N 77 124.725 124.725 120.518 4.207 19510 376 1 1 . 1 1 77 77 GLU HA H 77 4.343 4.343 4.082 0.261 19510 377 1 1 . 1 1 77 77 GLU C C 77 176.953 176.953 176.877 0.076 19510 378 1 1 . 1 1 77 77 GLU CA C 77 57.345 57.345 58.074 -0.729 19510 379 1 1 . 1 1 77 77 GLU CB C 77 27.555 27.555 29.159 -1.604 19510 380 1 1 . 1 1 77 77 GLU H H 77 7.158 7.158 7.146 0.012 19510 381 1 1 . 1 1 78 78 GLY N N 78 118.105 118.105 113.764 4.341 19510 382 1 1 . 1 1 78 78 GLY C C 78 173.075 173.075 174.823 -1.748 19510 383 1 1 . 1 1 78 78 GLY CA C 78 44.269 44.269 45.422 -1.153 19510 384 1 1 . 1 1 78 78 GLY H H 78 9.392 9.392 8.921 0.471 19510 385 1 1 . 1 1 79 79 LYS N N 79 120.237 120.237 119.568 0.669 19510 386 1 1 . 1 1 79 79 LYS HA H 79 4.663 4.663 4.456 0.207 19510 387 1 1 . 1 1 79 79 LYS C C 79 175.050 175.050 175.097 -0.047 19510 388 1 1 . 1 1 79 79 LYS CA C 79 54.683 54.683 55.915 -1.232 19510 389 1 1 . 1 1 79 79 LYS CB C 79 33.435 33.435 34.576 -1.141 19510 390 1 1 . 1 1 79 79 LYS H H 79 8.809 8.809 8.334 0.475 19510 391 1 1 . 1 1 80 80 ALA N N 80 121.135 121.135 122.799 -1.664 19510 392 1 1 . 1 1 80 80 ALA HA H 80 4.893 4.893 4.669 0.224 19510 393 1 1 . 1 1 80 80 ALA C C 80 174.051 174.051 175.550 -1.499 19510 394 1 1 . 1 1 80 80 ALA CA C 80 50.289 50.289 51.525 -1.236 19510 395 1 1 . 1 1 80 80 ALA CB C 80 20.483 20.483 20.946 -0.463 19510 396 1 1 . 1 1 80 80 ALA H H 80 8.169 8.169 7.417 0.752 19510 397 1 1 . 1 1 81 81 ASP N N 81 121.569 121.569 124.655 -3.086 19510 398 1 1 . 1 1 81 81 ASP HA H 81 4.898 4.898 4.607 0.291 19510 399 1 1 . 1 1 81 81 ASP CA C 81 50.397 50.397 53.509 -3.112 19510 400 1 1 . 1 1 81 81 ASP CB C 81 40.401 40.401 41.440 -1.039 19510 401 1 1 . 1 1 81 81 ASP H H 81 8.330 8.330 8.385 -0.055 19510 402 1 1 . 1 1 82 82 GLU N N 82 119.843 119.843 121.681 -1.838 19510 403 1 1 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.200 -0.015 19510 404 1 1 . 1 1 82 82 GLU C C 82 177.350 177.350 178.746 -1.396 19510 405 1 1 . 1 1 82 82 GLU CA C 82 59.676 59.676 60.606 -0.930 19510 406 1 1 . 1 1 82 82 GLU CB C 82 27.893 27.893 29.803 -1.910 19510 407 1 1 . 1 1 82 82 GLU H H 82 8.923 8.923 8.877 0.046 19510 408 1 1 . 1 1 83 83 GLU N N 83 119.348 119.348 117.742 1.606 19510 409 1 1 . 1 1 83 83 GLU HA H 83 4.177 4.177 4.128 0.049 19510 410 1 1 . 1 1 83 83 GLU C C 83 178.794 178.794 178.857 -0.063 19510 411 1 1 . 1 1 83 83 GLU CA C 83 59.082 59.082 59.318 -0.236 19510 412 1 1 . 1 1 83 83 GLU CB C 83 28.879 28.879 29.240 -0.361 19510 413 1 1 . 1 1 83 83 GLU H H 83 8.832 8.832 8.798 0.034 19510 414 1 1 . 1 1 84 84 THR N N 84 119.892 119.892 116.882 3.010 19510 415 1 1 . 1 1 84 84 THR HA H 84 4.140 4.140 4.087 0.053 19510 416 1 1 . 1 1 84 84 THR C C 84 176.165 176.165 176.500 -0.335 19510 417 1 1 . 1 1 84 84 THR CA C 84 65.721 65.721 66.912 -1.191 19510 418 1 1 . 1 1 84 84 THR CB C 84 66.751 66.751 68.570 -1.819 19510 419 1 1 . 1 1 84 84 THR H H 84 8.576 8.576 7.347 1.229 19510 420 1 1 . 1 1 85 85 ILE N N 85 123.655 123.655 121.825 1.830 19510 421 1 1 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.690 0.129 19510 422 1 1 . 1 1 85 85 ILE C C 85 174.809 174.809 176.941 -2.132 19510 423 1 1 . 1 1 85 85 ILE CA C 85 64.891 64.891 65.059 -0.168 19510 424 1 1 . 1 1 85 85 ILE CB C 85 37.797 37.797 37.915 -0.118 19510 425 1 1 . 1 1 85 85 ILE H H 85 8.572 8.572 7.998 0.574 19510 426 1 1 . 1 1 86 86 ARG N N 86 119.670 119.670 119.601 0.069 19510 427 1 1 . 1 1 86 86 ARG HA H 86 4.186 4.186 3.571 0.615 19510 428 1 1 . 1 1 86 86 ARG CA C 86 58.766 58.766 58.189 0.577 19510 429 1 1 . 1 1 86 86 ARG CB C 86 28.165 28.165 29.434 -1.269 19510 430 1 1 . 1 1 86 86 ARG H H 86 9.092 9.092 8.181 0.911 19510 431 1 1 . 1 1 87 87 ALA N N 87 121.431 121.431 120.241 1.190 19510 432 1 1 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.266 0.041 19510 433 1 1 . 1 1 87 87 ALA CA C 87 53.558 53.558 52.677 0.881 19510 434 1 1 . 1 1 87 87 ALA CB C 87 16.382 16.382 19.062 -2.680 19510 435 1 1 . 1 1 87 87 ALA H H 87 8.242 8.242 8.183 0.059 19510 436 1 1 . 1 1 88 88 LYS N N 88 122.742 122.742 120.277 2.465 19510 437 1 1 . 1 1 88 88 LYS HA H 88 4.011 4.011 3.921 0.090 19510 438 1 1 . 1 1 88 88 LYS CA C 88 55.172 55.172 58.579 -3.407 19510 439 1 1 . 1 1 88 88 LYS CB C 88 29.078 29.078 32.011 -2.933 19510 440 1 1 . 1 1 88 88 LYS H H 88 8.182 8.182 7.460 0.722 19510 441 1 1 . 1 1 89 89 MET N N 89 118.686 118.686 117.387 1.299 19510 442 1 1 . 1 1 89 89 MET HA H 89 3.854 3.854 4.077 -0.223 19510 443 1 1 . 1 1 89 89 MET CA C 89 59.175 59.175 58.326 0.849 19510 444 1 1 . 1 1 89 89 MET CB C 89 31.697 31.697 31.726 -0.029 19510 445 1 1 . 1 1 89 89 MET H H 89 8.504 8.504 7.134 1.370 19510 446 1 1 . 1 1 90 90 VAL N N 90 120.987 120.987 120.706 0.281 19510 447 1 1 . 1 1 90 90 VAL HA H 90 3.853 3.853 3.406 0.447 19510 448 1 1 . 1 1 90 90 VAL C C 90 178.017 178.017 178.081 -0.064 19510 449 1 1 . 1 1 90 90 VAL CA C 90 64.868 64.868 65.691 -0.823 19510 450 1 1 . 1 1 90 90 VAL CB C 90 31.054 31.054 31.118 -0.064 19510 451 1 1 . 1 1 90 90 VAL H H 90 7.573 7.573 7.832 -0.259 19510 452 1 1 . 1 1 91 91 GLU N N 91 124.236 124.236 118.594 5.642 19510 453 1 1 . 1 1 91 91 GLU HA H 91 3.802 3.802 4.127 -0.325 19510 454 1 1 . 1 1 91 91 GLU C C 91 177.612 177.612 178.275 -0.663 19510 455 1 1 . 1 1 91 91 GLU CA C 91 58.414 58.414 58.433 -0.019 19510 456 1 1 . 1 1 91 91 GLU CB C 91 30.606 30.606 29.401 1.205 19510 457 1 1 . 1 1 91 91 GLU H H 91 8.494 8.494 8.093 0.401 19510 458 1 1 . 1 1 92 92 LEU N N 92 114.818 114.818 121.053 -6.235 19510 459 1 1 . 1 1 92 92 LEU HA H 92 4.336 4.336 4.178 0.158 19510 460 1 1 . 1 1 92 92 LEU C C 92 177.928 177.928 178.239 -0.311 19510 461 1 1 . 1 1 92 92 LEU CA C 92 56.351 56.351 55.989 0.362 19510 462 1 1 . 1 1 92 92 LEU CB C 92 39.780 39.780 41.182 -1.402 19510 463 1 1 . 1 1 92 92 LEU H H 92 8.833 8.833 7.545 1.288 19510 464 1 1 . 1 1 93 93 ARG N N 93 123.398 123.398 119.938 3.460 19510 465 1 1 . 1 1 93 93 ARG HA H 93 3.997 3.997 3.822 0.175 19510 466 1 1 . 1 1 93 93 ARG C C 93 176.350 176.350 178.494 -2.144 19510 467 1 1 . 1 1 93 93 ARG CA C 93 58.848 58.848 59.793 -0.945 19510 468 1 1 . 1 1 93 93 ARG CB C 93 28.592 28.592 29.733 -1.141 19510 469 1 1 . 1 1 93 93 ARG H H 93 7.746 7.746 7.571 0.175 19510 470 1 1 . 1 1 94 94 ALA N N 94 122.480 122.480 120.209 2.271 19510 471 1 1 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.307 -0.046 19510 472 1 1 . 1 1 94 94 ALA C C 94 179.805 179.805 179.311 0.494 19510 473 1 1 . 1 1 94 94 ALA CA C 94 54.529 54.529 54.782 -0.253 19510 474 1 1 . 1 1 94 94 ALA CB C 94 16.423 16.423 18.480 -2.057 19510 475 1 1 . 1 1 94 94 ALA H H 94 7.322 7.322 8.107 -0.785 19510 476 1 1 . 1 1 95 95 THR N N 95 116.936 116.936 115.547 1.389 19510 477 1 1 . 1 1 95 95 THR HA H 95 4.045 4.045 3.863 0.182 19510 478 1 1 . 1 1 95 95 THR C C 95 175.007 175.007 176.355 -1.348 19510 479 1 1 . 1 1 95 95 THR CA C 95 64.868 64.868 66.406 -1.538 19510 480 1 1 . 1 1 95 95 THR CB C 95 67.633 67.633 68.397 -0.764 19510 481 1 1 . 1 1 95 95 THR H H 95 8.275 8.275 7.598 0.677 19510 482 1 1 . 1 1 96 96 ALA N N 96 123.969 123.969 124.012 -0.043 19510 483 1 1 . 1 1 96 96 ALA HA H 96 3.904 3.904 4.007 -0.103 19510 484 1 1 . 1 1 96 96 ALA C C 96 178.184 178.184 179.257 -1.073 19510 485 1 1 . 1 1 96 96 ALA CA C 96 54.098 54.098 55.181 -1.083 19510 486 1 1 . 1 1 96 96 ALA CB C 96 18.118 18.118 18.405 -0.287 19510 487 1 1 . 1 1 96 96 ALA H H 96 8.688 8.688 8.284 0.404 19510 488 1 1 . 1 1 97 97 ARG N N 97 117.393 117.393 116.733 0.660 19510 489 1 1 . 1 1 97 97 ARG HA H 97 3.857 3.857 4.124 -0.267 19510 490 1 1 . 1 1 97 97 ARG C C 97 176.770 176.770 178.465 -1.695 19510 491 1 1 . 1 1 97 97 ARG CA C 97 58.669 58.669 58.708 -0.039 19510 492 1 1 . 1 1 97 97 ARG CB C 97 28.932 28.932 29.884 -0.953 19510 493 1 1 . 1 1 97 97 ARG H H 97 8.073 8.073 7.637 0.436 19510 494 1 1 . 1 1 98 98 GLU N N 98 118.029 118.029 120.642 -2.613 19510 495 1 1 . 1 1 98 98 GLU HA H 98 4.180 4.180 3.962 0.218 19510 496 1 1 . 1 1 98 98 GLU C C 98 178.865 178.865 179.177 -0.312 19510 497 1 1 . 1 1 98 98 GLU CA C 98 57.867 57.867 59.756 -1.889 19510 498 1 1 . 1 1 98 98 GLU CB C 98 27.704 27.704 29.367 -1.663 19510 499 1 1 . 1 1 98 98 GLU H H 98 7.896 7.896 7.888 0.008 19510 500 1 1 . 1 1 99 99 GLN N N 99 119.735 119.735 116.527 3.208 19510 501 1 1 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.112 0.073 19510 502 1 1 . 1 1 99 99 GLN C C 99 178.146 178.146 178.698 -0.552 19510 503 1 1 . 1 1 99 99 GLN CA C 99 57.748 57.748 58.482 -0.734 19510 504 1 1 . 1 1 99 99 GLN CB C 99 27.529 27.529 28.797 -1.268 19510 505 1 1 . 1 1 99 99 GLN H H 99 8.320 8.320 8.361 -0.041 19510 506 1 1 . 1 1 100 100 ILE N N 100 119.676 119.676 120.325 -0.649 19510 507 1 1 . 1 1 100 100 ILE HA H 100 3.993 3.993 3.950 0.043 19510 508 1 1 . 1 1 100 100 ILE C C 100 178.315 178.315 177.797 0.518 19510 509 1 1 . 1 1 100 100 ILE CA C 100 60.935 60.935 63.304 -2.369 19510 510 1 1 . 1 1 100 100 ILE CB C 100 34.935 34.935 37.941 -3.006 19510 511 1 1 . 1 1 100 100 ILE H H 100 8.398 8.398 7.552 0.846 19510 512 1 1 . 1 1 101 101 ILE N N 101 120.600 120.600 117.869 2.731 19510 513 1 1 . 1 1 101 101 ILE HA H 101 4.027 4.027 3.725 0.302 19510 514 1 1 . 1 1 101 101 ILE C C 101 177.006 177.006 177.593 -0.587 19510 515 1 1 . 1 1 101 101 ILE CA C 101 62.382 62.382 64.095 -1.713 19510 516 1 1 . 1 1 101 101 ILE CB C 101 36.195 36.195 37.356 -1.161 19510 517 1 1 . 1 1 101 101 ILE H H 101 8.350 8.350 8.008 0.342 19510 518 1 1 . 1 1 102 102 SER N N 102 116.172 116.172 115.487 0.685 19510 519 1 1 . 1 1 102 102 SER HA H 102 4.589 4.589 4.403 0.186 19510 520 1 1 . 1 1 102 102 SER C C 102 173.845 173.845 175.475 -1.630 19510 521 1 1 . 1 1 102 102 SER CA C 102 58.735 58.735 60.097 -1.362 19510 522 1 1 . 1 1 102 102 SER CB C 102 62.254 62.254 63.859 -1.605 19510 523 1 1 . 1 1 102 102 SER H H 102 7.896 7.896 7.702 0.194 19510 524 1 1 . 1 1 103 103 GLU N N 103 122.642 122.642 122.030 0.612 19510 525 1 1 . 1 1 103 103 GLU HA H 103 4.473 4.473 4.444 0.029 19510 526 1 1 . 1 1 103 103 GLU C C 103 175.095 175.095 175.345 -0.250 19510 527 1 1 . 1 1 103 103 GLU CA C 103 55.006 55.006 54.701 0.305 19510 528 1 1 . 1 1 103 103 GLU CB C 103 28.770 28.770 28.618 0.152 19510 529 1 1 . 1 1 103 103 GLU H H 103 7.780 7.780 7.918 -0.138 19510 530 1 2 . 1 1 4 4 PHE N N 4 122.548 122.548 122.225 0.323 19510 531 1 2 . 1 1 4 4 PHE HA H 4 4.680 4.680 4.520 0.160 19510 532 1 2 . 1 1 4 4 PHE CA C 4 57.087 57.087 58.226 -1.139 19510 533 1 2 . 1 1 4 4 PHE CB C 4 38.126 38.126 39.477 -1.351 19510 534 1 2 . 1 1 4 4 PHE H H 4 8.328 8.328 8.206 0.122 19510 535 1 2 . 1 1 7 7 ARG N N 7 121.962 121.962 120.439 1.523 19510 536 1 2 . 1 1 7 7 ARG HA H 7 4.265 4.265 4.577 -0.312 19510 537 1 2 . 1 1 7 7 ARG C C 7 176.683 176.683 174.392 2.291 19510 538 1 2 . 1 1 7 7 ARG CA C 7 56.502 56.502 55.109 1.393 19510 539 1 2 . 1 1 7 7 ARG CB C 7 28.840 28.840 31.766 -2.926 19510 540 1 2 . 1 1 7 7 ARG H H 7 8.339 8.339 8.059 0.280 19510 541 1 2 . 1 1 8 8 GLU N N 8 121.095 121.095 120.515 0.580 19510 542 1 2 . 1 1 8 8 GLU HA H 8 4.233 4.233 4.258 -0.025 19510 543 1 2 . 1 1 8 8 GLU C C 8 176.964 176.964 176.326 0.638 19510 544 1 2 . 1 1 8 8 GLU CA C 8 57.517 57.517 57.033 0.484 19510 545 1 2 . 1 1 8 8 GLU CB C 8 27.744 27.744 29.983 -2.239 19510 546 1 2 . 1 1 8 8 GLU H H 8 8.384 8.384 8.615 -0.231 19510 547 1 2 . 1 1 9 9 ARG N N 9 121.320 121.320 124.072 -2.752 19510 548 1 2 . 1 1 9 9 ARG HA H 9 4.310 4.310 4.506 -0.196 19510 549 1 2 . 1 1 9 9 ARG C C 9 176.563 176.563 175.885 0.678 19510 550 1 2 . 1 1 9 9 ARG CA C 9 56.233 56.233 56.738 -0.505 19510 551 1 2 . 1 1 9 9 ARG CB C 9 28.977 28.977 31.136 -2.159 19510 552 1 2 . 1 1 9 9 ARG H H 9 8.291 8.291 8.723 -0.432 19510 553 1 2 . 1 1 10 10 ALA N N 10 123.900 123.900 118.385 5.515 19510 554 1 2 . 1 1 10 10 ALA HA H 10 4.333 4.333 3.966 0.367 19510 555 1 2 . 1 1 10 10 ALA C C 10 178.129 178.129 175.702 2.427 19510 556 1 2 . 1 1 10 10 ALA CA C 10 52.348 52.348 51.385 0.963 19510 557 1 2 . 1 1 10 10 ALA CB C 10 17.396 17.396 20.015 -2.619 19510 558 1 2 . 1 1 10 10 ALA H H 10 8.225 8.225 8.201 0.024 19510 559 1 2 . 1 1 11 11 HIS N N 11 117.829 117.829 115.491 2.338 19510 560 1 2 . 1 1 11 11 HIS HA H 11 4.740 4.740 4.331 0.409 19510 561 1 2 . 1 1 11 11 HIS C C 11 175.013 175.013 175.627 -0.614 19510 562 1 2 . 1 1 11 11 HIS CA C 11 55.041 55.041 56.075 -1.034 19510 563 1 2 . 1 1 11 11 HIS CB C 11 27.391 27.391 28.902 -1.511 19510 564 1 2 . 1 1 11 11 HIS H H 11 8.500 8.500 7.685 0.815 19510 565 1 2 . 1 1 12 12 GLU N N 12 121.398 121.398 120.805 0.593 19510 566 1 2 . 1 1 12 12 GLU HA H 12 4.326 4.326 4.001 0.325 19510 567 1 2 . 1 1 12 12 GLU C C 12 176.808 176.808 175.839 0.969 19510 568 1 2 . 1 1 12 12 GLU CA C 12 56.517 56.517 56.937 -0.420 19510 569 1 2 . 1 1 12 12 GLU CB C 12 28.289 28.289 29.369 -1.080 19510 570 1 2 . 1 1 12 12 GLU H H 12 8.456 8.456 8.889 -0.433 19510 571 1 2 . 1 1 13 13 ALA N N 13 124.231 124.231 122.507 1.724 19510 572 1 2 . 1 1 13 13 ALA HA H 13 4.309 4.309 4.089 0.220 19510 573 1 2 . 1 1 13 13 ALA C C 13 178.197 178.197 178.926 -0.729 19510 574 1 2 . 1 1 13 13 ALA CA C 13 53.511 53.511 53.860 -0.349 19510 575 1 2 . 1 1 13 13 ALA CB C 13 17.174 17.174 18.525 -1.351 19510 576 1 2 . 1 1 13 13 ALA H H 13 8.444 8.444 8.709 -0.265 19510 577 1 2 . 1 1 14 14 LYS N N 14 120.159 120.159 118.895 1.264 19510 578 1 2 . 1 1 14 14 LYS HA H 14 4.257 4.257 4.238 0.019 19510 579 1 2 . 1 1 14 14 LYS C C 14 176.757 176.757 178.240 -1.483 19510 580 1 2 . 1 1 14 14 LYS CA C 14 56.461 56.461 58.012 -1.551 19510 581 1 2 . 1 1 14 14 LYS CB C 14 31.191 31.191 31.970 -0.779 19510 582 1 2 . 1 1 14 14 LYS H H 14 8.136 8.136 7.846 0.290 19510 583 1 2 . 1 1 15 15 PHE N N 15 118.588 118.588 118.451 0.137 19510 584 1 2 . 1 1 15 15 PHE HA H 15 4.527 4.527 4.249 0.278 19510 585 1 2 . 1 1 15 15 PHE C C 15 175.635 175.635 177.312 -1.677 19510 586 1 2 . 1 1 15 15 PHE CA C 15 57.992 57.992 61.509 -3.517 19510 587 1 2 . 1 1 15 15 PHE CB C 15 37.908 37.908 38.839 -0.931 19510 588 1 2 . 1 1 15 15 PHE H H 15 7.998 7.998 8.408 -0.410 19510 589 1 2 . 1 1 16 16 ALA N N 16 122.847 122.847 118.797 4.050 19510 590 1 2 . 1 1 16 16 ALA HA H 16 4.317 4.317 4.212 0.105 19510 591 1 2 . 1 1 16 16 ALA C C 16 177.641 177.641 179.109 -1.468 19510 592 1 2 . 1 1 16 16 ALA CA C 16 52.317 52.317 53.953 -1.636 19510 593 1 2 . 1 1 16 16 ALA CB C 16 17.378 17.378 18.750 -1.371 19510 594 1 2 . 1 1 16 16 ALA H H 16 8.172 8.172 7.880 0.292 19510 595 1 2 . 1 1 17 17 HIS N N 17 115.904 115.904 116.842 -0.938 19510 596 1 2 . 1 1 17 17 HIS HA H 17 4.839 4.839 4.503 0.336 19510 597 1 2 . 1 1 17 17 HIS CA C 17 54.594 54.594 58.901 -4.307 19510 598 1 2 . 1 1 17 17 HIS CB C 17 27.532 27.532 31.086 -3.554 19510 599 1 2 . 1 1 17 17 HIS H H 17 8.218 8.218 7.807 0.411 19510 600 1 2 . 1 1 18 18 ASP N N 18 121.432 121.432 119.771 1.661 19510 601 1 2 . 1 1 18 18 ASP HA H 18 4.758 4.758 4.923 -0.165 19510 602 1 2 . 1 1 18 18 ASP CA C 18 53.004 53.004 53.285 -0.281 19510 603 1 2 . 1 1 18 18 ASP CB C 18 39.571 39.571 41.703 -2.132 19510 604 1 2 . 1 1 18 18 ASP H H 18 8.103 8.103 8.376 -0.273 19510 605 1 2 . 1 1 19 19 ALA N N 19 126.628 126.628 126.711 -0.083 19510 606 1 2 . 1 1 19 19 ALA HA H 19 4.303 4.303 4.031 0.272 19510 607 1 2 . 1 1 19 19 ALA CA C 19 53.177 53.177 54.442 -1.265 19510 608 1 2 . 1 1 19 19 ALA CB C 19 17.231 17.231 19.215 -1.984 19510 609 1 2 . 1 1 19 19 ALA H H 19 8.588 8.588 8.664 -0.076 19510 610 1 2 . 1 1 20 20 GLU N N 20 119.826 119.826 118.772 1.054 19510 611 1 2 . 1 1 20 20 GLU HA H 20 4.314 4.314 4.155 0.159 19510 612 1 2 . 1 1 20 20 GLU CA C 20 57.403 57.403 58.493 -1.091 19510 613 1 2 . 1 1 20 20 GLU CB C 20 27.780 27.780 28.550 -0.770 19510 614 1 2 . 1 1 20 20 GLU H H 20 8.391 8.391 8.471 -0.080 19510 615 1 2 . 1 1 21 21 LEU N N 21 122.268 122.268 119.721 2.547 19510 616 1 2 . 1 1 21 21 LEU HA H 21 4.179 4.179 3.827 0.352 19510 617 1 2 . 1 1 21 21 LEU CA C 21 56.531 56.531 57.478 -0.947 19510 618 1 2 . 1 1 21 21 LEU CB C 21 40.255 40.255 41.518 -1.263 19510 619 1 2 . 1 1 21 21 LEU H H 21 8.134 8.134 7.947 0.187 19510 620 1 2 . 1 1 22 22 ASN N N 22 118.005 118.005 118.014 -0.009 19510 621 1 2 . 1 1 22 22 ASN HA H 22 4.665 4.665 4.043 0.622 19510 622 1 2 . 1 1 22 22 ASN CA C 22 55.493 55.493 56.297 -0.804 19510 623 1 2 . 1 1 22 22 ASN CB C 22 37.084 37.084 38.398 -1.314 19510 624 1 2 . 1 1 22 22 ASN H H 22 8.456 8.456 7.287 1.169 19510 625 1 2 . 1 1 23 23 PHE N N 23 121.379 121.379 121.404 -0.025 19510 626 1 2 . 1 1 23 23 PHE HA H 23 4.509 4.509 4.080 0.429 19510 627 1 2 . 1 1 23 23 PHE CA C 23 59.496 59.496 60.400 -0.904 19510 628 1 2 . 1 1 23 23 PHE CB C 23 37.380 37.380 38.761 -1.381 19510 629 1 2 . 1 1 23 23 PHE H H 23 8.453 8.453 8.631 -0.178 19510 630 1 2 . 1 1 24 24 LYS N N 24 120.674 120.674 118.043 2.631 19510 631 1 2 . 1 1 24 24 LYS HA H 24 4.191 4.191 3.402 0.789 19510 632 1 2 . 1 1 24 24 LYS C C 24 179.309 179.309 178.098 1.211 19510 633 1 2 . 1 1 24 24 LYS CA C 24 58.132 58.132 58.778 -0.646 19510 634 1 2 . 1 1 24 24 LYS CB C 24 31.828 31.828 31.926 -0.098 19510 635 1 2 . 1 1 24 24 LYS H H 24 8.504 8.504 8.070 0.434 19510 636 1 2 . 1 1 25 25 ALA N N 25 123.584 123.584 119.579 4.005 19510 637 1 2 . 1 1 25 25 ALA HA H 25 4.146 4.146 4.453 -0.307 19510 638 1 2 . 1 1 25 25 ALA C C 25 178.243 178.243 179.756 -1.513 19510 639 1 2 . 1 1 25 25 ALA CA C 25 53.760 53.760 54.089 -0.329 19510 640 1 2 . 1 1 25 25 ALA CB C 25 16.827 16.827 19.673 -2.846 19510 641 1 2 . 1 1 25 25 ALA H H 25 8.841 8.841 7.318 1.523 19510 642 1 2 . 1 1 26 26 GLU N N 26 122.239 122.239 119.810 2.429 19510 643 1 2 . 1 1 26 26 GLU HA H 26 4.083 4.083 4.100 -0.017 19510 644 1 2 . 1 1 26 26 GLU C C 26 177.265 177.265 177.428 -0.163 19510 645 1 2 . 1 1 26 26 GLU CA C 26 57.850 57.850 58.539 -0.689 19510 646 1 2 . 1 1 26 26 GLU CB C 26 28.891 28.891 29.741 -0.850 19510 647 1 2 . 1 1 26 26 GLU H H 26 8.482 8.482 8.561 -0.079 19510 648 1 2 . 1 1 27 27 ALA N N 27 122.124 122.124 120.242 1.882 19510 649 1 2 . 1 1 27 27 ALA HA H 27 4.352 4.352 4.469 -0.117 19510 650 1 2 . 1 1 27 27 ALA C C 27 180.552 180.552 177.909 2.643 19510 651 1 2 . 1 1 27 27 ALA CA C 27 53.519 53.519 52.549 0.970 19510 652 1 2 . 1 1 27 27 ALA CB C 27 16.410 16.410 18.769 -2.359 19510 653 1 2 . 1 1 27 27 ALA H H 27 8.043 8.043 7.872 0.171 19510 654 1 2 . 1 1 28 28 ARG N N 28 120.375 120.375 117.507 2.868 19510 655 1 2 . 1 1 28 28 ARG HA H 28 4.441 4.441 4.466 -0.025 19510 656 1 2 . 1 1 28 28 ARG C C 28 176.309 176.309 178.055 -1.746 19510 657 1 2 . 1 1 28 28 ARG CA C 28 55.369 55.369 56.858 -1.489 19510 658 1 2 . 1 1 28 28 ARG CB C 28 28.480 28.480 31.322 -2.842 19510 659 1 2 . 1 1 28 28 ARG H H 28 8.101 8.101 8.141 -0.040 19510 660 1 2 . 1 1 29 29 ARG N N 29 122.734 122.734 118.334 4.400 19510 661 1 2 . 1 1 29 29 ARG HA H 29 3.743 3.743 4.065 -0.322 19510 662 1 2 . 1 1 29 29 ARG CA C 29 58.672 58.672 58.720 -0.048 19510 663 1 2 . 1 1 29 29 ARG CB C 29 29.051 29.051 29.431 -0.380 19510 664 1 2 . 1 1 29 29 ARG H H 29 8.901 8.901 7.436 1.465 19510 665 1 2 . 1 1 30 30 ASN N N 30 119.961 119.961 113.928 6.033 19510 666 1 2 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.779 -0.145 19510 667 1 2 . 1 1 30 30 ASN C C 30 175.888 175.888 175.688 0.200 19510 668 1 2 . 1 1 30 30 ASN CA C 30 55.147 55.147 53.446 1.701 19510 669 1 2 . 1 1 30 30 ASN CB C 30 35.418 35.418 40.054 -4.636 19510 670 1 2 . 1 1 30 30 ASN H H 30 8.429 8.429 8.269 0.160 19510 671 1 2 . 1 1 31 31 ARG N N 31 123.400 123.400 120.378 3.022 19510 672 1 2 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.093 0.189 19510 673 1 2 . 1 1 31 31 ARG C C 31 177.804 177.804 177.348 0.456 19510 674 1 2 . 1 1 31 31 ARG CA C 31 58.132 58.132 58.019 0.113 19510 675 1 2 . 1 1 31 31 ARG CB C 31 27.636 27.636 29.889 -2.253 19510 676 1 2 . 1 1 31 31 ARG H H 31 8.052 8.052 7.736 0.316 19510 677 1 2 . 1 1 32 32 LEU N N 32 119.872 119.872 114.476 5.396 19510 678 1 2 . 1 1 32 32 LEU HA H 32 4.318 4.318 4.762 -0.444 19510 679 1 2 . 1 1 32 32 LEU C C 32 180.602 180.602 178.226 2.376 19510 680 1 2 . 1 1 32 32 LEU CA C 32 56.471 56.471 54.410 2.061 19510 681 1 2 . 1 1 32 32 LEU CB C 32 40.558 40.558 41.351 -0.793 19510 682 1 2 . 1 1 32 32 LEU H H 32 8.752 8.752 7.261 1.491 19510 683 1 2 . 1 1 33 33 LEU N N 33 124.468 124.468 121.798 2.670 19510 684 1 2 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.057 0.244 19510 685 1 2 . 1 1 33 33 LEU C C 33 177.992 177.992 178.979 -0.987 19510 686 1 2 . 1 1 33 33 LEU CA C 33 56.482 56.482 58.129 -1.647 19510 687 1 2 . 1 1 33 33 LEU CB C 33 41.626 41.626 40.877 0.750 19510 688 1 2 . 1 1 33 33 LEU H H 33 9.273 9.273 8.438 0.835 19510 689 1 2 . 1 1 34 34 GLY N N 34 109.045 109.045 104.693 4.352 19510 690 1 2 . 1 1 34 34 GLY C C 34 174.530 174.530 176.204 -1.674 19510 691 1 2 . 1 1 34 34 GLY CA C 34 45.447 45.447 46.611 -1.164 19510 692 1 2 . 1 1 34 34 GLY H H 34 8.907 8.907 8.530 0.377 19510 693 1 2 . 1 1 35 35 GLU N N 35 123.414 123.414 121.709 1.705 19510 694 1 2 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.139 0.038 19510 695 1 2 . 1 1 35 35 GLU C C 35 178.866 178.866 178.647 0.219 19510 696 1 2 . 1 1 35 35 GLU CA C 35 59.564 59.564 58.475 1.089 19510 697 1 2 . 1 1 35 35 GLU CB C 35 27.692 27.692 29.534 -1.842 19510 698 1 2 . 1 1 35 35 GLU H H 35 8.935 8.935 8.161 0.774 19510 699 1 2 . 1 1 36 36 TRP N N 36 124.774 124.774 122.312 2.462 19510 700 1 2 . 1 1 36 36 TRP HA H 36 4.604 4.604 4.341 0.263 19510 701 1 2 . 1 1 36 36 TRP C C 36 177.618 177.618 177.641 -0.023 19510 702 1 2 . 1 1 36 36 TRP CA C 36 58.867 58.867 60.827 -1.960 19510 703 1 2 . 1 1 36 36 TRP CB C 36 26.021 26.021 29.328 -3.307 19510 704 1 2 . 1 1 36 36 TRP H H 36 8.531 8.531 7.666 0.865 19510 705 1 2 . 1 1 37 37 ALA N N 37 123.777 123.777 120.360 3.417 19510 706 1 2 . 1 1 37 37 ALA HA H 37 3.403 3.403 3.478 -0.075 19510 707 1 2 . 1 1 37 37 ALA C C 37 177.427 177.427 179.315 -1.888 19510 708 1 2 . 1 1 37 37 ALA CA C 37 53.148 53.148 53.899 -0.751 19510 709 1 2 . 1 1 37 37 ALA CB C 37 18.440 18.440 17.653 0.787 19510 710 1 2 . 1 1 37 37 ALA H H 37 9.141 9.141 7.867 1.274 19510 711 1 2 . 1 1 38 38 ALA N N 38 119.259 119.259 121.357 -2.098 19510 712 1 2 . 1 1 38 38 ALA HA H 38 3.523 3.523 3.818 -0.295 19510 713 1 2 . 1 1 38 38 ALA C C 38 178.670 178.670 179.710 -1.040 19510 714 1 2 . 1 1 38 38 ALA CA C 38 53.882 53.882 55.318 -1.436 19510 715 1 2 . 1 1 38 38 ALA CB C 38 17.083 17.083 18.053 -0.970 19510 716 1 2 . 1 1 38 38 ALA H H 38 8.788 8.788 8.507 0.281 19510 717 1 2 . 1 1 39 39 GLY N N 39 104.011 104.011 106.944 -2.933 19510 718 1 2 . 1 1 39 39 GLY C C 39 177.232 177.232 176.912 0.320 19510 719 1 2 . 1 1 39 39 GLY CA C 39 45.519 45.519 46.896 -1.377 19510 720 1 2 . 1 1 39 39 GLY H H 39 7.756 7.756 7.873 -0.117 19510 721 1 2 . 1 1 40 40 LEU N N 40 125.340 125.340 123.161 2.179 19510 722 1 2 . 1 1 40 40 LEU HA H 40 4.111 4.111 3.970 0.141 19510 723 1 2 . 1 1 40 40 LEU C C 40 178.203 178.203 178.005 0.198 19510 724 1 2 . 1 1 40 40 LEU CA C 40 56.123 56.123 57.607 -1.484 19510 725 1 2 . 1 1 40 40 LEU CB C 40 40.764 40.764 41.911 -1.147 19510 726 1 2 . 1 1 40 40 LEU H H 40 7.511 7.511 7.219 0.292 19510 727 1 2 . 1 1 41 41 LEU N N 41 117.234 117.234 114.053 3.181 19510 728 1 2 . 1 1 41 41 LEU HA H 41 4.139 4.139 4.145 -0.006 19510 729 1 2 . 1 1 41 41 LEU C C 41 176.119 176.119 177.313 -1.194 19510 730 1 2 . 1 1 41 41 LEU CA C 41 53.213 53.213 54.542 -1.329 19510 731 1 2 . 1 1 41 41 LEU CB C 41 41.092 41.092 41.547 -0.455 19510 732 1 2 . 1 1 41 41 LEU H H 41 7.692 7.692 7.837 -0.145 19510 733 1 2 . 1 1 42 42 GLY N N 42 109.595 109.595 107.606 1.989 19510 734 1 2 . 1 1 42 42 GLY C C 42 173.775 173.775 174.500 -0.725 19510 735 1 2 . 1 1 42 42 GLY CA C 42 44.409 44.409 45.565 -1.156 19510 736 1 2 . 1 1 42 42 GLY H H 42 7.896 7.896 7.735 0.161 19510 737 1 2 . 1 1 43 43 LYS N N 43 119.965 119.965 121.506 -1.541 19510 738 1 2 . 1 1 43 43 LYS HA H 43 4.737 4.737 4.416 0.321 19510 739 1 2 . 1 1 43 43 LYS C C 43 175.246 175.246 175.534 -0.288 19510 740 1 2 . 1 1 43 43 LYS CA C 43 54.189 54.189 56.173 -1.984 19510 741 1 2 . 1 1 43 43 LYS CB C 43 33.208 33.208 33.252 -0.044 19510 742 1 2 . 1 1 43 43 LYS H H 43 8.104 8.104 7.940 0.164 19510 743 1 2 . 1 1 44 44 THR N N 44 114.199 114.199 111.840 2.359 19510 744 1 2 . 1 1 44 44 THR HA H 44 4.773 4.773 4.544 0.229 19510 745 1 2 . 1 1 44 44 THR C C 44 174.392 174.392 175.732 -1.340 19510 746 1 2 . 1 1 44 44 THR CA C 44 58.348 58.348 59.790 -1.442 19510 747 1 2 . 1 1 44 44 THR CB C 44 70.921 70.921 71.475 -0.554 19510 748 1 2 . 1 1 44 44 THR H H 44 8.958 8.958 8.131 0.827 19510 749 1 2 . 1 1 45 45 GLY N N 45 109.657 109.657 109.753 -0.096 19510 750 1 2 . 1 1 45 45 GLY C C 45 175.330 175.330 175.163 0.167 19510 751 1 2 . 1 1 45 45 GLY CA C 45 45.315 45.315 46.995 -1.680 19510 752 1 2 . 1 1 45 45 GLY H H 45 8.885 8.885 8.698 0.187 19510 753 1 2 . 1 1 46 46 ASP N N 46 128.403 128.403 123.909 4.494 19510 754 1 2 . 1 1 46 46 ASP HA H 46 4.561 4.561 4.722 -0.161 19510 755 1 2 . 1 1 46 46 ASP C C 46 177.343 177.343 177.734 -0.391 19510 756 1 2 . 1 1 46 46 ASP CA C 46 55.829 55.829 55.563 0.266 19510 757 1 2 . 1 1 46 46 ASP CB C 46 39.039 39.039 40.748 -1.709 19510 758 1 2 . 1 1 46 46 ASP H H 46 9.318 9.318 8.621 0.697 19510 759 1 2 . 1 1 47 47 ASP N N 47 121.367 121.367 120.610 0.757 19510 760 1 2 . 1 1 47 47 ASP HA H 47 4.668 4.668 4.522 0.146 19510 761 1 2 . 1 1 47 47 ASP CA C 47 55.545 55.545 57.092 -1.547 19510 762 1 2 . 1 1 47 47 ASP CB C 47 39.415 39.415 40.858 -1.443 19510 763 1 2 . 1 1 47 47 ASP H H 47 8.521 8.521 8.160 0.361 19510 764 1 2 . 1 1 48 48 ALA N N 48 123.210 123.210 123.617 -0.407 19510 765 1 2 . 1 1 48 48 ALA HA H 48 3.940 3.940 4.043 -0.103 19510 766 1 2 . 1 1 48 48 ALA CA C 48 53.331 53.331 55.343 -2.012 19510 767 1 2 . 1 1 48 48 ALA CB C 48 16.036 16.036 18.556 -2.520 19510 768 1 2 . 1 1 48 48 ALA H H 48 7.262 7.262 8.102 -0.840 19510 769 1 2 . 1 1 49 49 ARG N N 49 120.088 120.088 118.488 1.600 19510 770 1 2 . 1 1 49 49 ARG HA H 49 4.126 4.126 3.935 0.191 19510 771 1 2 . 1 1 49 49 ARG CA C 49 57.876 57.876 59.910 -2.034 19510 772 1 2 . 1 1 49 49 ARG CB C 49 28.774 28.774 30.272 -1.498 19510 773 1 2 . 1 1 49 49 ARG H H 49 7.805 7.805 8.301 -0.496 19510 774 1 2 . 1 1 50 50 ALA N N 50 121.061 121.061 120.176 0.885 19510 775 1 2 . 1 1 50 50 ALA HA H 50 4.218 4.218 4.187 0.031 19510 776 1 2 . 1 1 50 50 ALA CA C 50 53.399 53.399 54.672 -1.274 19510 777 1 2 . 1 1 50 50 ALA CB C 50 16.672 16.672 18.001 -1.329 19510 778 1 2 . 1 1 50 50 ALA H H 50 8.387 8.387 7.338 1.049 19510 779 1 2 . 1 1 51 51 TYR N N 51 119.264 119.264 121.380 -2.116 19510 780 1 2 . 1 1 51 51 TYR HA H 51 4.231 4.231 4.057 0.174 19510 781 1 2 . 1 1 51 51 TYR C C 51 178.335 178.335 177.693 0.642 19510 782 1 2 . 1 1 51 51 TYR CA C 51 60.493 60.493 60.721 -0.228 19510 783 1 2 . 1 1 51 51 TYR CB C 51 37.094 37.094 38.147 -1.053 19510 784 1 2 . 1 1 51 51 TYR H H 51 8.095 8.095 8.478 -0.383 19510 785 1 2 . 1 1 52 52 ALA N N 52 124.002 124.002 121.043 2.959 19510 786 1 2 . 1 1 52 52 ALA HA H 52 3.899 3.899 3.777 0.122 19510 787 1 2 . 1 1 52 52 ALA C C 52 178.352 178.352 179.078 -0.726 19510 788 1 2 . 1 1 52 52 ALA CA C 52 54.394 54.394 54.684 -0.290 19510 789 1 2 . 1 1 52 52 ALA CB C 52 16.369 16.369 18.356 -1.987 19510 790 1 2 . 1 1 52 52 ALA H H 52 8.651 8.651 8.575 0.076 19510 791 1 2 . 1 1 53 53 LEU N N 53 116.593 116.593 113.739 2.854 19510 792 1 2 . 1 1 53 53 LEU HA H 53 4.301 4.301 4.189 0.112 19510 793 1 2 . 1 1 53 53 LEU C C 53 177.452 177.452 177.673 -0.221 19510 794 1 2 . 1 1 53 53 LEU CA C 53 55.412 55.412 55.719 -0.307 19510 795 1 2 . 1 1 53 53 LEU CB C 53 40.510 40.510 42.002 -1.492 19510 796 1 2 . 1 1 53 53 LEU H H 53 7.664 7.664 7.290 0.374 19510 797 1 2 . 1 1 54 54 THR N N 54 110.998 110.998 114.239 -3.241 19510 798 1 2 . 1 1 54 54 THR HA H 54 4.401 4.401 4.551 -0.150 19510 799 1 2 . 1 1 54 54 THR CA C 54 61.997 61.997 61.230 0.767 19510 800 1 2 . 1 1 54 54 THR CB C 54 67.988 67.988 69.234 -1.246 19510 801 1 2 . 1 1 54 54 THR H H 54 7.962 7.962 7.704 0.258 19510 802 1 2 . 1 1 55 55 VAL N N 55 123.907 123.907 120.434 3.473 19510 803 1 2 . 1 1 55 55 VAL HA H 55 3.869 3.869 4.247 -0.378 19510 804 1 2 . 1 1 55 55 VAL CA C 55 62.373 62.373 61.500 0.873 19510 805 1 2 . 1 1 55 55 VAL CB C 55 29.037 29.037 32.914 -3.877 19510 806 1 2 . 1 1 55 55 VAL H H 55 7.217 7.217 7.582 -0.365 19510 807 1 2 . 1 1 56 56 VAL N N 56 119.176 119.176 118.531 0.645 19510 808 1 2 . 1 1 56 56 VAL HA H 56 4.300 4.300 4.270 0.030 19510 809 1 2 . 1 1 56 56 VAL CA C 56 55.363 55.363 61.015 -5.652 19510 810 1 2 . 1 1 56 56 VAL CB C 56 32.466 32.466 28.898 3.568 19510 811 1 2 . 1 1 56 56 VAL H H 56 7.474 7.474 7.658 -0.184 19510 812 1 2 . 1 1 57 57 THR N N 57 114.951 114.951 120.408 -5.457 19510 813 1 2 . 1 1 57 57 THR HA H 57 4.509 4.509 4.195 0.314 19510 814 1 2 . 1 1 57 57 THR CA C 57 60.698 60.698 61.528 -0.830 19510 815 1 2 . 1 1 57 57 THR CB C 57 68.177 68.177 67.652 0.525 19510 816 1 2 . 1 1 57 57 THR H H 57 7.992 7.992 8.283 -0.291 19510 817 1 2 . 1 1 58 58 SER N N 58 119.820 119.820 116.270 3.550 19510 818 1 2 . 1 1 58 58 SER HA H 58 4.554 4.554 4.049 0.505 19510 819 1 2 . 1 1 58 58 SER CA C 58 57.409 57.409 60.315 -2.906 19510 820 1 2 . 1 1 58 58 SER CB C 58 62.399 62.399 62.596 -0.197 19510 821 1 2 . 1 1 58 58 SER H H 58 8.473 8.473 8.273 0.200 19510 822 1 2 . 1 1 59 59 ASP N N 59 122.199 122.199 118.411 3.788 19510 823 1 2 . 1 1 59 59 ASP HA H 59 4.762 4.762 4.891 -0.129 19510 824 1 2 . 1 1 59 59 ASP C C 59 175.459 175.459 175.625 -0.166 19510 825 1 2 . 1 1 59 59 ASP CA C 59 52.469 52.469 52.676 -0.207 19510 826 1 2 . 1 1 59 59 ASP CB C 59 39.455 39.455 42.654 -3.199 19510 827 1 2 . 1 1 59 59 ASP H H 59 8.285 8.285 8.360 -0.075 19510 828 1 2 . 1 1 60 60 PHE HA H 60 4.182 4.182 4.422 -0.240 19510 829 1 2 . 1 1 60 60 PHE CA C 60 59.253 59.253 60.032 -0.779 19510 830 1 2 . 1 1 60 60 PHE CB C 60 35.163 35.163 39.524 -4.361 19510 831 1 2 . 1 1 63 63 PRO HA H 63 4.606 4.606 4.603 0.003 19510 832 1 2 . 1 1 63 63 PRO CA C 63 55.716 55.716 63.205 -7.489 19510 833 1 2 . 1 1 63 63 PRO CB C 63 30.732 30.732 30.150 0.582 19510 834 1 2 . 1 1 64 64 GLY N N 64 110.382 110.382 109.998 0.384 19510 835 1 2 . 1 1 64 64 GLY CA C 64 44.280 44.280 45.632 -1.351 19510 836 1 2 . 1 1 64 64 GLY H H 64 8.706 8.706 7.927 0.779 19510 837 1 2 . 1 1 65 65 ASP N N 65 121.977 121.977 122.188 -0.211 19510 838 1 2 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.939 -0.276 19510 839 1 2 . 1 1 65 65 ASP CA C 65 55.765 55.765 55.378 0.387 19510 840 1 2 . 1 1 65 65 ASP CB C 65 39.579 39.579 40.067 -0.488 19510 841 1 2 . 1 1 65 65 ASP H H 65 8.661 8.661 8.506 0.155 19510 842 1 2 . 1 1 66 66 GLU N N 66 120.065 120.065 122.467 -2.402 19510 843 1 2 . 1 1 66 66 GLU HA H 66 4.437 4.437 4.743 -0.306 19510 844 1 2 . 1 1 66 66 GLU CA C 66 57.520 57.520 57.380 0.140 19510 845 1 2 . 1 1 66 66 GLU CB C 66 27.598 27.598 30.898 -3.300 19510 846 1 2 . 1 1 66 66 GLU H H 66 8.643 8.643 8.433 0.210 19510 847 1 2 . 1 1 67 67 ASP N N 67 120.033 120.033 121.933 -1.900 19510 848 1 2 . 1 1 67 67 ASP HA H 67 4.609 4.609 4.296 0.313 19510 849 1 2 . 1 1 67 67 ASP CA C 67 55.601 55.601 57.191 -1.591 19510 850 1 2 . 1 1 67 67 ASP CB C 67 39.106 39.106 40.797 -1.691 19510 851 1 2 . 1 1 67 67 ASP H H 67 8.272 8.272 7.993 0.279 19510 852 1 2 . 1 1 68 68 VAL N N 68 123.206 123.206 118.029 5.177 19510 853 1 2 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.539 0.278 19510 854 1 2 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.821 -0.106 19510 855 1 2 . 1 1 68 68 VAL CB C 68 30.705 30.705 31.186 -0.481 19510 856 1 2 . 1 1 68 68 VAL H H 68 8.045 8.045 7.208 0.837 19510 857 1 2 . 1 1 69 69 PHE N N 69 120.600 120.600 118.231 2.369 19510 858 1 2 . 1 1 69 69 PHE HA H 69 4.158 4.158 4.355 -0.197 19510 859 1 2 . 1 1 69 69 PHE CA C 69 61.013 61.013 59.161 1.852 19510 860 1 2 . 1 1 69 69 PHE CB C 69 37.455 37.455 38.656 -1.200 19510 861 1 2 . 1 1 69 69 PHE H H 69 8.488 8.488 7.460 1.028 19510 862 1 2 . 1 1 70 70 ARG N N 70 117.820 117.820 121.282 -3.462 19510 863 1 2 . 1 1 70 70 ARG HA H 70 3.755 3.755 3.307 0.448 19510 864 1 2 . 1 1 70 70 ARG C C 70 178.813 178.813 177.969 0.844 19510 865 1 2 . 1 1 70 70 ARG CA C 70 58.184 58.184 58.849 -0.665 19510 866 1 2 . 1 1 70 70 ARG CB C 70 28.899 28.899 29.224 -0.326 19510 867 1 2 . 1 1 70 70 ARG H H 70 8.611 8.611 7.406 1.205 19510 868 1 2 . 1 1 71 71 LYS N N 71 121.726 121.726 117.865 3.861 19510 869 1 2 . 1 1 71 71 LYS HA H 71 4.253 4.253 4.109 0.144 19510 870 1 2 . 1 1 71 71 LYS C C 71 177.020 177.020 179.489 -2.469 19510 871 1 2 . 1 1 71 71 LYS CA C 71 58.490 58.490 58.621 -0.131 19510 872 1 2 . 1 1 71 71 LYS CB C 71 31.216 31.216 31.841 -0.625 19510 873 1 2 . 1 1 71 71 LYS H H 71 7.686 7.686 7.494 0.192 19510 874 1 2 . 1 1 72 72 LEU N N 72 119.355 119.355 121.229 -1.874 19510 875 1 2 . 1 1 72 72 LEU HA H 72 4.051 4.051 4.226 -0.175 19510 876 1 2 . 1 1 72 72 LEU C C 72 177.378 177.378 178.626 -1.248 19510 877 1 2 . 1 1 72 72 LEU CA C 72 56.317 56.317 57.852 -1.535 19510 878 1 2 . 1 1 72 72 LEU CB C 72 41.148 41.148 42.326 -1.178 19510 879 1 2 . 1 1 72 72 LEU H H 72 8.215 8.215 7.663 0.552 19510 880 1 2 . 1 1 73 73 ALA N N 73 121.106 121.106 121.717 -0.611 19510 881 1 2 . 1 1 73 73 ALA HA H 73 3.767 3.767 4.004 -0.237 19510 882 1 2 . 1 1 73 73 ALA C C 73 179.644 179.644 179.311 0.333 19510 883 1 2 . 1 1 73 73 ALA CA C 73 53.263 53.263 55.002 -1.740 19510 884 1 2 . 1 1 73 73 ALA CB C 73 15.930 15.930 18.710 -2.780 19510 885 1 2 . 1 1 73 73 ALA H H 73 9.143 9.143 8.582 0.561 19510 886 1 2 . 1 1 74 74 ALA N N 74 119.383 119.383 119.503 -0.120 19510 887 1 2 . 1 1 74 74 ALA HA H 74 4.384 4.384 4.087 0.297 19510 888 1 2 . 1 1 74 74 ALA C C 74 179.752 179.752 179.490 0.262 19510 889 1 2 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.723 -1.199 19510 890 1 2 . 1 1 74 74 ALA CB C 74 17.094 17.094 18.342 -1.248 19510 891 1 2 . 1 1 74 74 ALA H H 74 7.403 7.403 8.274 -0.871 19510 892 1 2 . 1 1 75 75 ASP N N 75 120.226 120.226 119.651 0.575 19510 893 1 2 . 1 1 75 75 ASP HA H 75 4.523 4.523 4.598 -0.075 19510 894 1 2 . 1 1 75 75 ASP C C 75 177.704 177.704 178.192 -0.488 19510 895 1 2 . 1 1 75 75 ASP CA C 75 55.312 55.312 56.064 -0.752 19510 896 1 2 . 1 1 75 75 ASP CB C 75 38.326 38.326 41.053 -2.727 19510 897 1 2 . 1 1 75 75 ASP H H 75 8.536 8.536 7.753 0.783 19510 898 1 2 . 1 1 76 76 LEU N N 76 115.468 115.468 120.833 -5.365 19510 899 1 2 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.329 0.063 19510 900 1 2 . 1 1 76 76 LEU C C 76 174.790 174.790 175.140 -0.350 19510 901 1 2 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.665 -1.041 19510 902 1 2 . 1 1 76 76 LEU CB C 76 39.594 39.594 41.599 -2.005 19510 903 1 2 . 1 1 76 76 LEU H H 76 8.612 8.612 8.133 0.479 19510 904 1 2 . 1 1 77 77 GLU N N 77 124.725 124.725 120.056 4.669 19510 905 1 2 . 1 1 77 77 GLU HA H 77 4.343 4.343 4.140 0.203 19510 906 1 2 . 1 1 77 77 GLU C C 77 176.953 176.953 177.373 -0.420 19510 907 1 2 . 1 1 77 77 GLU CA C 77 57.345 57.345 58.078 -0.733 19510 908 1 2 . 1 1 77 77 GLU CB C 77 27.555 27.555 29.570 -2.015 19510 909 1 2 . 1 1 77 77 GLU H H 77 7.158 7.158 7.160 -0.002 19510 910 1 2 . 1 1 78 78 GLY N N 78 118.105 118.105 114.402 3.703 19510 911 1 2 . 1 1 78 78 GLY C C 78 173.075 173.075 174.824 -1.749 19510 912 1 2 . 1 1 78 78 GLY CA C 78 44.269 44.269 45.461 -1.192 19510 913 1 2 . 1 1 78 78 GLY H H 78 9.392 9.392 8.816 0.576 19510 914 1 2 . 1 1 79 79 LYS N N 79 120.237 120.237 119.430 0.807 19510 915 1 2 . 1 1 79 79 LYS HA H 79 4.663 4.663 4.506 0.157 19510 916 1 2 . 1 1 79 79 LYS C C 79 175.050 175.050 174.687 0.363 19510 917 1 2 . 1 1 79 79 LYS CA C 79 54.683 54.683 55.822 -1.139 19510 918 1 2 . 1 1 79 79 LYS CB C 79 33.435 33.435 34.183 -0.748 19510 919 1 2 . 1 1 79 79 LYS H H 79 8.809 8.809 8.122 0.687 19510 920 1 2 . 1 1 80 80 ALA N N 80 121.135 121.135 122.096 -0.961 19510 921 1 2 . 1 1 80 80 ALA HA H 80 4.893 4.893 4.656 0.237 19510 922 1 2 . 1 1 80 80 ALA C C 80 174.051 174.051 174.621 -0.570 19510 923 1 2 . 1 1 80 80 ALA CA C 80 50.289 50.289 51.699 -1.410 19510 924 1 2 . 1 1 80 80 ALA CB C 80 20.483 20.483 21.128 -0.645 19510 925 1 2 . 1 1 80 80 ALA H H 80 8.169 8.169 7.680 0.489 19510 926 1 2 . 1 1 81 81 ASP N N 81 121.569 121.569 123.718 -2.149 19510 927 1 2 . 1 1 81 81 ASP HA H 81 4.898 4.898 4.651 0.247 19510 928 1 2 . 1 1 81 81 ASP CA C 81 50.397 50.397 53.626 -3.229 19510 929 1 2 . 1 1 81 81 ASP CB C 81 40.401 40.401 41.782 -1.381 19510 930 1 2 . 1 1 81 81 ASP H H 81 8.330 8.330 8.482 -0.152 19510 931 1 2 . 1 1 82 82 GLU N N 82 119.843 119.843 121.289 -1.446 19510 932 1 2 . 1 1 82 82 GLU HA H 82 4.185 4.185 3.536 0.649 19510 933 1 2 . 1 1 82 82 GLU C C 82 177.350 177.350 178.421 -1.071 19510 934 1 2 . 1 1 82 82 GLU CA C 82 59.676 59.676 60.483 -0.807 19510 935 1 2 . 1 1 82 82 GLU CB C 82 27.893 27.893 29.171 -1.278 19510 936 1 2 . 1 1 82 82 GLU H H 82 8.923 8.923 8.677 0.246 19510 937 1 2 . 1 1 83 83 GLU N N 83 119.348 119.348 115.574 3.774 19510 938 1 2 . 1 1 83 83 GLU HA H 83 4.177 4.177 4.063 0.114 19510 939 1 2 . 1 1 83 83 GLU C C 83 178.794 178.794 178.846 -0.052 19510 940 1 2 . 1 1 83 83 GLU CA C 83 59.082 59.082 59.086 -0.004 19510 941 1 2 . 1 1 83 83 GLU CB C 83 28.879 28.879 28.827 0.052 19510 942 1 2 . 1 1 83 83 GLU H H 83 8.832 8.832 8.732 0.100 19510 943 1 2 . 1 1 84 84 THR N N 84 119.892 119.892 117.845 2.047 19510 944 1 2 . 1 1 84 84 THR HA H 84 4.140 4.140 4.156 -0.016 19510 945 1 2 . 1 1 84 84 THR C C 84 176.165 176.165 176.301 -0.136 19510 946 1 2 . 1 1 84 84 THR CA C 84 65.721 65.721 66.645 -0.924 19510 947 1 2 . 1 1 84 84 THR CB C 84 66.751 66.751 68.823 -2.072 19510 948 1 2 . 1 1 84 84 THR H H 84 8.576 8.576 7.288 1.288 19510 949 1 2 . 1 1 85 85 ILE N N 85 123.655 123.655 122.689 0.966 19510 950 1 2 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.786 0.033 19510 951 1 2 . 1 1 85 85 ILE C C 85 174.809 174.809 177.354 -2.545 19510 952 1 2 . 1 1 85 85 ILE CA C 85 64.891 64.891 65.769 -0.878 19510 953 1 2 . 1 1 85 85 ILE CB C 85 37.797 37.797 38.130 -0.334 19510 954 1 2 . 1 1 85 85 ILE H H 85 8.572 8.572 8.686 -0.114 19510 955 1 2 . 1 1 86 86 ARG N N 86 119.670 119.670 119.499 0.171 19510 956 1 2 . 1 1 86 86 ARG HA H 86 4.186 4.186 4.187 -0.001 19510 957 1 2 . 1 1 86 86 ARG CA C 86 58.766 58.766 59.349 -0.583 19510 958 1 2 . 1 1 86 86 ARG CB C 86 28.165 28.165 28.794 -0.629 19510 959 1 2 . 1 1 86 86 ARG H H 86 9.092 9.092 8.464 0.628 19510 960 1 2 . 1 1 87 87 ALA N N 87 121.431 121.431 121.792 -0.361 19510 961 1 2 . 1 1 87 87 ALA HA H 87 4.307 4.307 3.989 0.318 19510 962 1 2 . 1 1 87 87 ALA CA C 87 53.558 53.558 54.766 -1.208 19510 963 1 2 . 1 1 87 87 ALA CB C 87 16.382 16.382 18.083 -1.701 19510 964 1 2 . 1 1 87 87 ALA H H 87 8.242 8.242 7.665 0.577 19510 965 1 2 . 1 1 88 88 LYS N N 88 122.742 122.742 118.562 4.180 19510 966 1 2 . 1 1 88 88 LYS HA H 88 4.011 4.011 3.829 0.182 19510 967 1 2 . 1 1 88 88 LYS CA C 88 55.172 55.172 58.698 -3.526 19510 968 1 2 . 1 1 88 88 LYS CB C 88 29.078 29.078 31.729 -2.651 19510 969 1 2 . 1 1 88 88 LYS H H 88 8.182 8.182 7.697 0.485 19510 970 1 2 . 1 1 89 89 MET N N 89 118.686 118.686 117.215 1.471 19510 971 1 2 . 1 1 89 89 MET HA H 89 3.854 3.854 4.231 -0.377 19510 972 1 2 . 1 1 89 89 MET CA C 89 59.175 59.175 58.577 0.598 19510 973 1 2 . 1 1 89 89 MET CB C 89 31.697 31.697 32.412 -0.715 19510 974 1 2 . 1 1 89 89 MET H H 89 8.504 8.504 7.588 0.916 19510 975 1 2 . 1 1 90 90 VAL N N 90 120.987 120.987 120.819 0.168 19510 976 1 2 . 1 1 90 90 VAL HA H 90 3.853 3.853 3.551 0.302 19510 977 1 2 . 1 1 90 90 VAL C C 90 178.017 178.017 178.088 -0.071 19510 978 1 2 . 1 1 90 90 VAL CA C 90 64.868 64.868 66.392 -1.524 19510 979 1 2 . 1 1 90 90 VAL CB C 90 31.054 31.054 30.778 0.276 19510 980 1 2 . 1 1 90 90 VAL H H 90 7.573 7.573 7.790 -0.217 19510 981 1 2 . 1 1 91 91 GLU N N 91 124.236 124.236 119.555 4.681 19510 982 1 2 . 1 1 91 91 GLU HA H 91 3.802 3.802 3.992 -0.190 19510 983 1 2 . 1 1 91 91 GLU C C 91 177.612 177.612 178.757 -1.145 19510 984 1 2 . 1 1 91 91 GLU CA C 91 58.414 58.414 59.427 -1.013 19510 985 1 2 . 1 1 91 91 GLU CB C 91 30.606 30.606 29.501 1.105 19510 986 1 2 . 1 1 91 91 GLU H H 91 8.494 8.494 7.523 0.971 19510 987 1 2 . 1 1 92 92 LEU N N 92 114.818 114.818 118.102 -3.284 19510 988 1 2 . 1 1 92 92 LEU HA H 92 4.336 4.336 4.397 -0.061 19510 989 1 2 . 1 1 92 92 LEU C C 92 177.928 177.928 178.664 -0.736 19510 990 1 2 . 1 1 92 92 LEU CA C 92 56.351 56.351 54.140 2.211 19510 991 1 2 . 1 1 92 92 LEU CB C 92 39.780 39.780 39.519 0.261 19510 992 1 2 . 1 1 92 92 LEU H H 92 8.833 8.833 7.703 1.130 19510 993 1 2 . 1 1 93 93 ARG N N 93 123.398 123.398 122.237 1.161 19510 994 1 2 . 1 1 93 93 ARG HA H 93 3.997 3.997 3.811 0.186 19510 995 1 2 . 1 1 93 93 ARG C C 93 176.350 176.350 177.960 -1.610 19510 996 1 2 . 1 1 93 93 ARG CA C 93 58.848 58.848 59.404 -0.556 19510 997 1 2 . 1 1 93 93 ARG CB C 93 28.592 28.592 29.727 -1.135 19510 998 1 2 . 1 1 93 93 ARG H H 93 7.746 7.746 7.975 -0.229 19510 999 1 2 . 1 1 94 94 ALA N N 94 122.480 122.480 119.500 2.980 19510 1000 1 2 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.108 0.153 19510 1001 1 2 . 1 1 94 94 ALA C C 94 179.805 179.805 179.579 0.226 19510 1002 1 2 . 1 1 94 94 ALA CA C 94 54.529 54.529 54.919 -0.390 19510 1003 1 2 . 1 1 94 94 ALA CB C 94 16.423 16.423 17.945 -1.522 19510 1004 1 2 . 1 1 94 94 ALA H H 94 7.322 7.322 8.318 -0.996 19510 1005 1 2 . 1 1 95 95 THR N N 95 116.936 116.936 116.377 0.559 19510 1006 1 2 . 1 1 95 95 THR HA H 95 4.045 4.045 3.829 0.216 19510 1007 1 2 . 1 1 95 95 THR C C 95 175.007 175.007 176.515 -1.508 19510 1008 1 2 . 1 1 95 95 THR CA C 95 64.868 64.868 66.573 -1.705 19510 1009 1 2 . 1 1 95 95 THR CB C 95 67.633 67.633 68.503 -0.870 19510 1010 1 2 . 1 1 95 95 THR H H 95 8.275 8.275 8.137 0.138 19510 1011 1 2 . 1 1 96 96 ALA N N 96 123.969 123.969 123.251 0.718 19510 1012 1 2 . 1 1 96 96 ALA HA H 96 3.904 3.904 3.926 -0.022 19510 1013 1 2 . 1 1 96 96 ALA C C 96 178.184 178.184 179.229 -1.045 19510 1014 1 2 . 1 1 96 96 ALA CA C 96 54.098 54.098 55.333 -1.234 19510 1015 1 2 . 1 1 96 96 ALA CB C 96 18.118 18.118 18.614 -0.496 19510 1016 1 2 . 1 1 96 96 ALA H H 96 8.688 8.688 8.422 0.266 19510 1017 1 2 . 1 1 97 97 ARG N N 97 117.393 117.393 116.559 0.834 19510 1018 1 2 . 1 1 97 97 ARG HA H 97 3.857 3.857 4.287 -0.430 19510 1019 1 2 . 1 1 97 97 ARG C C 97 176.770 176.770 178.426 -1.656 19510 1020 1 2 . 1 1 97 97 ARG CA C 97 58.669 58.669 58.781 -0.112 19510 1021 1 2 . 1 1 97 97 ARG CB C 97 28.932 28.932 29.903 -0.971 19510 1022 1 2 . 1 1 97 97 ARG H H 97 8.073 8.073 7.777 0.296 19510 1023 1 2 . 1 1 98 98 GLU N N 98 118.029 118.029 120.571 -2.542 19510 1024 1 2 . 1 1 98 98 GLU HA H 98 4.180 4.180 3.869 0.311 19510 1025 1 2 . 1 1 98 98 GLU C C 98 178.865 178.865 179.174 -0.309 19510 1026 1 2 . 1 1 98 98 GLU CA C 98 57.867 57.867 59.508 -1.641 19510 1027 1 2 . 1 1 98 98 GLU CB C 98 27.704 27.704 29.272 -1.568 19510 1028 1 2 . 1 1 98 98 GLU H H 98 7.896 7.896 8.397 -0.501 19510 1029 1 2 . 1 1 99 99 GLN N N 99 119.735 119.735 117.346 2.389 19510 1030 1 2 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.031 0.154 19510 1031 1 2 . 1 1 99 99 GLN C C 99 178.146 178.146 178.041 0.105 19510 1032 1 2 . 1 1 99 99 GLN CA C 99 57.748 57.748 58.892 -1.145 19510 1033 1 2 . 1 1 99 99 GLN CB C 99 27.529 27.529 28.745 -1.216 19510 1034 1 2 . 1 1 99 99 GLN H H 99 8.320 8.320 8.310 0.010 19510 1035 1 2 . 1 1 100 100 ILE N N 100 119.676 119.676 117.663 2.013 19510 1036 1 2 . 1 1 100 100 ILE HA H 100 3.993 3.993 3.918 0.075 19510 1037 1 2 . 1 1 100 100 ILE C C 100 178.315 178.315 178.809 -0.494 19510 1038 1 2 . 1 1 100 100 ILE CA C 100 60.935 60.935 62.206 -1.271 19510 1039 1 2 . 1 1 100 100 ILE CB C 100 34.935 34.935 37.713 -2.778 19510 1040 1 2 . 1 1 100 100 ILE H H 100 8.398 8.398 7.559 0.839 19510 1041 1 2 . 1 1 101 101 ILE N N 101 120.600 120.600 118.969 1.631 19510 1042 1 2 . 1 1 101 101 ILE HA H 101 4.027 4.027 3.817 0.210 19510 1043 1 2 . 1 1 101 101 ILE C C 101 177.006 177.006 177.742 -0.736 19510 1044 1 2 . 1 1 101 101 ILE CA C 101 62.382 62.382 64.823 -2.441 19510 1045 1 2 . 1 1 101 101 ILE CB C 101 36.195 36.195 37.403 -1.208 19510 1046 1 2 . 1 1 101 101 ILE H H 101 8.350 8.350 8.174 0.176 19510 1047 1 2 . 1 1 102 102 SER N N 102 116.172 116.172 114.370 1.802 19510 1048 1 2 . 1 1 102 102 SER HA H 102 4.589 4.589 4.417 0.172 19510 1049 1 2 . 1 1 102 102 SER C C 102 173.845 173.845 174.587 -0.742 19510 1050 1 2 . 1 1 102 102 SER CA C 102 58.735 58.735 59.863 -1.128 19510 1051 1 2 . 1 1 102 102 SER CB C 102 62.254 62.254 63.367 -1.113 19510 1052 1 2 . 1 1 102 102 SER H H 102 7.896 7.896 7.795 0.101 19510 1053 1 2 . 1 1 103 103 GLU N N 103 122.642 122.642 121.771 0.871 19510 1054 1 2 . 1 1 103 103 GLU HA H 103 4.473 4.473 4.483 -0.010 19510 1055 1 2 . 1 1 103 103 GLU C C 103 175.095 175.095 175.523 -0.428 19510 1056 1 2 . 1 1 103 103 GLU CA C 103 55.006 55.006 55.355 -0.349 19510 1057 1 2 . 1 1 103 103 GLU CB C 103 28.770 28.770 30.416 -1.645 19510 1058 1 2 . 1 1 103 103 GLU H H 103 7.780 7.780 7.580 0.200 19510 1059 1 3 . 1 1 4 4 PHE N N 4 122.548 122.548 121.619 0.929 19510 1060 1 3 . 1 1 4 4 PHE HA H 4 4.680 4.680 4.678 0.002 19510 1061 1 3 . 1 1 4 4 PHE CA C 4 57.087 57.087 56.894 0.193 19510 1062 1 3 . 1 1 4 4 PHE CB C 4 38.126 38.126 40.259 -2.133 19510 1063 1 3 . 1 1 4 4 PHE H H 4 8.328 8.328 8.279 0.049 19510 1064 1 3 . 1 1 7 7 ARG N N 7 121.962 121.962 120.544 1.418 19510 1065 1 3 . 1 1 7 7 ARG HA H 7 4.265 4.265 4.578 -0.313 19510 1066 1 3 . 1 1 7 7 ARG C C 7 176.683 176.683 176.189 0.494 19510 1067 1 3 . 1 1 7 7 ARG CA C 7 56.502 56.502 55.785 0.717 19510 1068 1 3 . 1 1 7 7 ARG CB C 7 28.840 28.840 31.545 -2.705 19510 1069 1 3 . 1 1 7 7 ARG H H 7 8.339 8.339 8.306 0.033 19510 1070 1 3 . 1 1 8 8 GLU N N 8 121.095 121.095 122.173 -1.078 19510 1071 1 3 . 1 1 8 8 GLU HA H 8 4.233 4.233 4.101 0.132 19510 1072 1 3 . 1 1 8 8 GLU C C 8 176.964 176.964 176.347 0.617 19510 1073 1 3 . 1 1 8 8 GLU CA C 8 57.517 57.517 57.710 -0.193 19510 1074 1 3 . 1 1 8 8 GLU CB C 8 27.744 27.744 30.098 -2.354 19510 1075 1 3 . 1 1 8 8 GLU H H 8 8.384 8.384 8.767 -0.383 19510 1076 1 3 . 1 1 9 9 ARG N N 9 121.320 121.320 117.792 3.528 19510 1077 1 3 . 1 1 9 9 ARG HA H 9 4.310 4.310 4.200 0.110 19510 1078 1 3 . 1 1 9 9 ARG C C 9 176.563 176.563 174.967 1.596 19510 1079 1 3 . 1 1 9 9 ARG CA C 9 56.233 56.233 54.957 1.276 19510 1080 1 3 . 1 1 9 9 ARG CB C 9 28.977 28.977 30.808 -1.831 19510 1081 1 3 . 1 1 9 9 ARG H H 9 8.291 8.291 7.341 0.950 19510 1082 1 3 . 1 1 10 10 ALA N N 10 123.900 123.900 121.642 2.258 19510 1083 1 3 . 1 1 10 10 ALA HA H 10 4.333 4.333 4.084 0.249 19510 1084 1 3 . 1 1 10 10 ALA C C 10 178.129 178.129 175.931 2.198 19510 1085 1 3 . 1 1 10 10 ALA CA C 10 52.348 52.348 53.548 -1.200 19510 1086 1 3 . 1 1 10 10 ALA CB C 10 17.396 17.396 17.637 -0.241 19510 1087 1 3 . 1 1 10 10 ALA H H 10 8.225 8.225 8.440 -0.215 19510 1088 1 3 . 1 1 11 11 HIS N N 11 117.829 117.829 118.248 -0.419 19510 1089 1 3 . 1 1 11 11 HIS HA H 11 4.740 4.740 4.699 0.041 19510 1090 1 3 . 1 1 11 11 HIS C C 11 175.013 175.013 173.754 1.259 19510 1091 1 3 . 1 1 11 11 HIS CA C 11 55.041 55.041 53.855 1.186 19510 1092 1 3 . 1 1 11 11 HIS CB C 11 27.391 27.391 31.686 -4.295 19510 1093 1 3 . 1 1 11 11 HIS H H 11 8.500 8.500 8.032 0.468 19510 1094 1 3 . 1 1 12 12 GLU N N 12 121.398 121.398 118.631 2.767 19510 1095 1 3 . 1 1 12 12 GLU HA H 12 4.326 4.326 3.811 0.515 19510 1096 1 3 . 1 1 12 12 GLU C C 12 176.808 176.808 175.684 1.124 19510 1097 1 3 . 1 1 12 12 GLU CA C 12 56.517 56.517 56.457 0.060 19510 1098 1 3 . 1 1 12 12 GLU CB C 12 28.289 28.289 28.840 -0.551 19510 1099 1 3 . 1 1 12 12 GLU H H 12 8.456 8.456 8.499 -0.043 19510 1100 1 3 . 1 1 13 13 ALA N N 13 124.231 124.231 124.628 -0.397 19510 1101 1 3 . 1 1 13 13 ALA HA H 13 4.309 4.309 4.004 0.305 19510 1102 1 3 . 1 1 13 13 ALA C C 13 178.197 178.197 178.616 -0.419 19510 1103 1 3 . 1 1 13 13 ALA CA C 13 53.511 53.511 53.649 -0.138 19510 1104 1 3 . 1 1 13 13 ALA CB C 13 17.174 17.174 18.309 -1.135 19510 1105 1 3 . 1 1 13 13 ALA H H 13 8.444 8.444 8.285 0.159 19510 1106 1 3 . 1 1 14 14 LYS N N 14 120.159 120.159 118.571 1.588 19510 1107 1 3 . 1 1 14 14 LYS HA H 14 4.257 4.257 4.245 0.012 19510 1108 1 3 . 1 1 14 14 LYS C C 14 176.757 176.757 178.204 -1.447 19510 1109 1 3 . 1 1 14 14 LYS CA C 14 56.461 56.461 57.711 -1.250 19510 1110 1 3 . 1 1 14 14 LYS CB C 14 31.191 31.191 31.915 -0.724 19510 1111 1 3 . 1 1 14 14 LYS H H 14 8.136 8.136 8.517 -0.381 19510 1112 1 3 . 1 1 15 15 PHE N N 15 118.588 118.588 118.633 -0.045 19510 1113 1 3 . 1 1 15 15 PHE HA H 15 4.527 4.527 4.270 0.257 19510 1114 1 3 . 1 1 15 15 PHE C C 15 175.635 175.635 176.894 -1.259 19510 1115 1 3 . 1 1 15 15 PHE CA C 15 57.992 57.992 59.979 -1.987 19510 1116 1 3 . 1 1 15 15 PHE CB C 15 37.908 37.908 38.319 -0.411 19510 1117 1 3 . 1 1 15 15 PHE H H 15 7.998 7.998 8.328 -0.330 19510 1118 1 3 . 1 1 16 16 ALA N N 16 122.847 122.847 119.037 3.810 19510 1119 1 3 . 1 1 16 16 ALA HA H 16 4.317 4.317 4.211 0.106 19510 1120 1 3 . 1 1 16 16 ALA C C 16 177.641 177.641 177.369 0.272 19510 1121 1 3 . 1 1 16 16 ALA CA C 16 52.317 52.317 53.260 -0.943 19510 1122 1 3 . 1 1 16 16 ALA CB C 16 17.378 17.378 19.487 -2.109 19510 1123 1 3 . 1 1 16 16 ALA H H 16 8.172 8.172 7.540 0.632 19510 1124 1 3 . 1 1 17 17 HIS N N 17 115.904 115.904 118.661 -2.757 19510 1125 1 3 . 1 1 17 17 HIS HA H 17 4.839 4.839 4.751 0.088 19510 1126 1 3 . 1 1 17 17 HIS CA C 17 54.594 54.594 56.286 -1.692 19510 1127 1 3 . 1 1 17 17 HIS CB C 17 27.532 27.532 31.570 -4.038 19510 1128 1 3 . 1 1 17 17 HIS H H 17 8.218 8.218 7.996 0.222 19510 1129 1 3 . 1 1 18 18 ASP N N 18 121.432 121.432 121.739 -0.307 19510 1130 1 3 . 1 1 18 18 ASP HA H 18 4.758 4.758 4.294 0.464 19510 1131 1 3 . 1 1 18 18 ASP CA C 18 53.004 53.004 55.193 -2.189 19510 1132 1 3 . 1 1 18 18 ASP CB C 18 39.571 39.571 40.728 -1.157 19510 1133 1 3 . 1 1 18 18 ASP H H 18 8.103 8.103 7.868 0.235 19510 1134 1 3 . 1 1 19 19 ALA N N 19 126.628 126.628 120.922 5.706 19510 1135 1 3 . 1 1 19 19 ALA HA H 19 4.303 4.303 4.351 -0.048 19510 1136 1 3 . 1 1 19 19 ALA CA C 19 53.177 53.177 52.871 0.306 19510 1137 1 3 . 1 1 19 19 ALA CB C 19 17.231 17.231 19.971 -2.740 19510 1138 1 3 . 1 1 19 19 ALA H H 19 8.588 8.588 8.262 0.326 19510 1139 1 3 . 1 1 20 20 GLU N N 20 119.826 119.826 119.685 0.141 19510 1140 1 3 . 1 1 20 20 GLU HA H 20 4.314 4.314 4.030 0.284 19510 1141 1 3 . 1 1 20 20 GLU CA C 20 57.403 57.403 59.049 -1.646 19510 1142 1 3 . 1 1 20 20 GLU CB C 20 27.780 27.780 28.683 -0.903 19510 1143 1 3 . 1 1 20 20 GLU H H 20 8.391 8.391 8.819 -0.428 19510 1144 1 3 . 1 1 21 21 LEU N N 21 122.268 122.268 119.494 2.774 19510 1145 1 3 . 1 1 21 21 LEU HA H 21 4.179 4.179 4.041 0.138 19510 1146 1 3 . 1 1 21 21 LEU CA C 21 56.531 56.531 57.988 -1.457 19510 1147 1 3 . 1 1 21 21 LEU CB C 21 40.255 40.255 41.659 -1.404 19510 1148 1 3 . 1 1 21 21 LEU H H 21 8.134 8.134 8.117 0.017 19510 1149 1 3 . 1 1 22 22 ASN N N 22 118.005 118.005 116.726 1.279 19510 1150 1 3 . 1 1 22 22 ASN HA H 22 4.665 4.665 2.713 1.952 19510 1151 1 3 . 1 1 22 22 ASN CA C 22 55.493 55.493 55.146 0.347 19510 1152 1 3 . 1 1 22 22 ASN CB C 22 37.084 37.084 37.900 -0.816 19510 1153 1 3 . 1 1 22 22 ASN H H 22 8.456 8.456 7.438 1.018 19510 1154 1 3 . 1 1 23 23 PHE N N 23 121.379 121.379 121.860 -0.481 19510 1155 1 3 . 1 1 23 23 PHE HA H 23 4.509 4.509 4.121 0.388 19510 1156 1 3 . 1 1 23 23 PHE CA C 23 59.496 59.496 61.366 -1.870 19510 1157 1 3 . 1 1 23 23 PHE CB C 23 37.380 37.380 39.133 -1.753 19510 1158 1 3 . 1 1 23 23 PHE H H 23 8.453 8.453 8.797 -0.344 19510 1159 1 3 . 1 1 24 24 LYS N N 24 120.674 120.674 118.151 2.523 19510 1160 1 3 . 1 1 24 24 LYS HA H 24 4.191 4.191 4.038 0.153 19510 1161 1 3 . 1 1 24 24 LYS C C 24 179.309 179.309 177.868 1.441 19510 1162 1 3 . 1 1 24 24 LYS CA C 24 58.132 58.132 59.321 -1.189 19510 1163 1 3 . 1 1 24 24 LYS CB C 24 31.828 31.828 32.322 -0.494 19510 1164 1 3 . 1 1 24 24 LYS H H 24 8.504 8.504 7.738 0.766 19510 1165 1 3 . 1 1 25 25 ALA N N 25 123.584 123.584 120.527 3.057 19510 1166 1 3 . 1 1 25 25 ALA HA H 25 4.146 4.146 4.315 -0.169 19510 1167 1 3 . 1 1 25 25 ALA C C 25 178.243 178.243 179.812 -1.569 19510 1168 1 3 . 1 1 25 25 ALA CA C 25 53.760 53.760 54.554 -0.794 19510 1169 1 3 . 1 1 25 25 ALA CB C 25 16.827 16.827 19.100 -2.273 19510 1170 1 3 . 1 1 25 25 ALA H H 25 8.841 8.841 7.534 1.307 19510 1171 1 3 . 1 1 26 26 GLU N N 26 122.239 122.239 121.434 0.805 19510 1172 1 3 . 1 1 26 26 GLU HA H 26 4.083 4.083 3.918 0.165 19510 1173 1 3 . 1 1 26 26 GLU C C 26 177.265 177.265 178.066 -0.801 19510 1174 1 3 . 1 1 26 26 GLU CA C 26 57.850 57.850 58.607 -0.757 19510 1175 1 3 . 1 1 26 26 GLU CB C 26 28.891 28.891 28.998 -0.107 19510 1176 1 3 . 1 1 26 26 GLU H H 26 8.482 8.482 7.858 0.624 19510 1177 1 3 . 1 1 27 27 ALA N N 27 122.124 122.124 119.906 2.218 19510 1178 1 3 . 1 1 27 27 ALA HA H 27 4.352 4.352 4.270 0.082 19510 1179 1 3 . 1 1 27 27 ALA C C 27 180.552 180.552 178.717 1.835 19510 1180 1 3 . 1 1 27 27 ALA CA C 27 53.519 53.519 53.212 0.307 19510 1181 1 3 . 1 1 27 27 ALA CB C 27 16.410 16.410 18.203 -1.793 19510 1182 1 3 . 1 1 27 27 ALA H H 27 8.043 8.043 7.669 0.374 19510 1183 1 3 . 1 1 28 28 ARG N N 28 120.375 120.375 117.880 2.495 19510 1184 1 3 . 1 1 28 28 ARG HA H 28 4.441 4.441 4.316 0.125 19510 1185 1 3 . 1 1 28 28 ARG C C 28 176.309 176.309 178.022 -1.713 19510 1186 1 3 . 1 1 28 28 ARG CA C 28 55.369 55.369 57.877 -2.508 19510 1187 1 3 . 1 1 28 28 ARG CB C 28 28.480 28.480 30.665 -2.185 19510 1188 1 3 . 1 1 28 28 ARG H H 28 8.101 8.101 8.025 0.076 19510 1189 1 3 . 1 1 29 29 ARG N N 29 122.734 122.734 118.871 3.863 19510 1190 1 3 . 1 1 29 29 ARG HA H 29 3.743 3.743 4.066 -0.323 19510 1191 1 3 . 1 1 29 29 ARG CA C 29 58.672 58.672 59.355 -0.683 19510 1192 1 3 . 1 1 29 29 ARG CB C 29 29.051 29.051 29.794 -0.744 19510 1193 1 3 . 1 1 29 29 ARG H H 29 8.901 8.901 8.011 0.890 19510 1194 1 3 . 1 1 30 30 ASN N N 30 119.961 119.961 114.046 5.915 19510 1195 1 3 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.778 -0.144 19510 1196 1 3 . 1 1 30 30 ASN C C 30 175.888 175.888 177.042 -1.154 19510 1197 1 3 . 1 1 30 30 ASN CA C 30 55.147 55.147 54.125 1.022 19510 1198 1 3 . 1 1 30 30 ASN CB C 30 35.418 35.418 38.942 -3.524 19510 1199 1 3 . 1 1 30 30 ASN H H 30 8.429 8.429 8.375 0.054 19510 1200 1 3 . 1 1 31 31 ARG N N 31 123.400 123.400 122.836 0.564 19510 1201 1 3 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.423 -0.141 19510 1202 1 3 . 1 1 31 31 ARG C C 31 177.804 177.804 178.065 -0.261 19510 1203 1 3 . 1 1 31 31 ARG CA C 31 58.132 58.132 58.758 -0.626 19510 1204 1 3 . 1 1 31 31 ARG CB C 31 27.636 27.636 30.064 -2.428 19510 1205 1 3 . 1 1 31 31 ARG H H 31 8.052 8.052 7.560 0.492 19510 1206 1 3 . 1 1 32 32 LEU N N 32 119.872 119.872 118.303 1.569 19510 1207 1 3 . 1 1 32 32 LEU HA H 32 4.318 4.318 4.256 0.062 19510 1208 1 3 . 1 1 32 32 LEU C C 32 180.602 180.602 179.047 1.555 19510 1209 1 3 . 1 1 32 32 LEU CA C 32 56.471 56.471 57.229 -0.758 19510 1210 1 3 . 1 1 32 32 LEU CB C 32 40.558 40.558 41.044 -0.486 19510 1211 1 3 . 1 1 32 32 LEU H H 32 8.752 8.752 8.051 0.701 19510 1212 1 3 . 1 1 33 33 LEU N N 33 124.468 124.468 121.750 2.718 19510 1213 1 3 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.112 0.189 19510 1214 1 3 . 1 1 33 33 LEU C C 33 177.992 177.992 178.250 -0.258 19510 1215 1 3 . 1 1 33 33 LEU CA C 33 56.482 56.482 57.379 -0.897 19510 1216 1 3 . 1 1 33 33 LEU CB C 33 41.626 41.626 41.623 0.003 19510 1217 1 3 . 1 1 33 33 LEU H H 33 9.273 9.273 8.018 1.255 19510 1218 1 3 . 1 1 34 34 GLY N N 34 109.045 109.045 105.186 3.859 19510 1219 1 3 . 1 1 34 34 GLY C C 34 174.530 174.530 175.718 -1.188 19510 1220 1 3 . 1 1 34 34 GLY CA C 34 45.447 45.447 47.167 -1.720 19510 1221 1 3 . 1 1 34 34 GLY H H 34 8.907 8.907 8.293 0.614 19510 1222 1 3 . 1 1 35 35 GLU N N 35 123.414 123.414 121.272 2.142 19510 1223 1 3 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.230 -0.053 19510 1224 1 3 . 1 1 35 35 GLU C C 35 178.866 178.866 178.505 0.361 19510 1225 1 3 . 1 1 35 35 GLU CA C 35 59.564 59.564 58.379 1.185 19510 1226 1 3 . 1 1 35 35 GLU CB C 35 27.692 27.692 29.566 -1.874 19510 1227 1 3 . 1 1 35 35 GLU H H 35 8.935 8.935 7.929 1.006 19510 1228 1 3 . 1 1 36 36 TRP N N 36 124.774 124.774 122.567 2.207 19510 1229 1 3 . 1 1 36 36 TRP HA H 36 4.604 4.604 4.343 0.261 19510 1230 1 3 . 1 1 36 36 TRP C C 36 177.618 177.618 177.429 0.189 19510 1231 1 3 . 1 1 36 36 TRP CA C 36 58.867 58.867 60.842 -1.975 19510 1232 1 3 . 1 1 36 36 TRP CB C 36 26.021 26.021 29.431 -3.410 19510 1233 1 3 . 1 1 36 36 TRP H H 36 8.531 8.531 7.572 0.959 19510 1234 1 3 . 1 1 37 37 ALA N N 37 123.777 123.777 120.794 2.983 19510 1235 1 3 . 1 1 37 37 ALA HA H 37 3.403 3.403 3.313 0.090 19510 1236 1 3 . 1 1 37 37 ALA C C 37 177.427 177.427 179.392 -1.965 19510 1237 1 3 . 1 1 37 37 ALA CA C 37 53.148 53.148 54.617 -1.469 19510 1238 1 3 . 1 1 37 37 ALA CB C 37 18.440 18.440 17.816 0.624 19510 1239 1 3 . 1 1 37 37 ALA H H 37 9.141 9.141 7.797 1.344 19510 1240 1 3 . 1 1 38 38 ALA N N 38 119.259 119.259 121.099 -1.840 19510 1241 1 3 . 1 1 38 38 ALA HA H 38 3.523 3.523 3.791 -0.268 19510 1242 1 3 . 1 1 38 38 ALA C C 38 178.670 178.670 179.420 -0.750 19510 1243 1 3 . 1 1 38 38 ALA CA C 38 53.882 53.882 55.450 -1.568 19510 1244 1 3 . 1 1 38 38 ALA CB C 38 17.083 17.083 18.066 -0.983 19510 1245 1 3 . 1 1 38 38 ALA H H 38 8.788 8.788 8.330 0.458 19510 1246 1 3 . 1 1 39 39 GLY N N 39 104.011 104.011 105.546 -1.535 19510 1247 1 3 . 1 1 39 39 GLY C C 39 177.232 177.232 176.287 0.945 19510 1248 1 3 . 1 1 39 39 GLY CA C 39 45.519 45.519 46.746 -1.227 19510 1249 1 3 . 1 1 39 39 GLY H H 39 7.756 7.756 8.254 -0.498 19510 1250 1 3 . 1 1 40 40 LEU N N 40 125.340 125.340 121.174 4.166 19510 1251 1 3 . 1 1 40 40 LEU HA H 40 4.111 4.111 3.945 0.166 19510 1252 1 3 . 1 1 40 40 LEU C C 40 178.203 178.203 178.121 0.082 19510 1253 1 3 . 1 1 40 40 LEU CA C 40 56.123 56.123 56.702 -0.579 19510 1254 1 3 . 1 1 40 40 LEU CB C 40 40.764 40.764 41.731 -0.967 19510 1255 1 3 . 1 1 40 40 LEU H H 40 7.511 7.511 7.198 0.313 19510 1256 1 3 . 1 1 41 41 LEU N N 41 117.234 117.234 114.042 3.192 19510 1257 1 3 . 1 1 41 41 LEU HA H 41 4.139 4.139 4.058 0.081 19510 1258 1 3 . 1 1 41 41 LEU C C 41 176.119 176.119 177.328 -1.209 19510 1259 1 3 . 1 1 41 41 LEU CA C 41 53.213 53.213 55.475 -2.262 19510 1260 1 3 . 1 1 41 41 LEU CB C 41 41.092 41.092 41.650 -0.558 19510 1261 1 3 . 1 1 41 41 LEU H H 41 7.692 7.692 7.947 -0.255 19510 1262 1 3 . 1 1 42 42 GLY N N 42 109.595 109.595 105.355 4.240 19510 1263 1 3 . 1 1 42 42 GLY C C 42 173.775 173.775 174.516 -0.741 19510 1264 1 3 . 1 1 42 42 GLY CA C 42 44.409 44.409 45.270 -0.861 19510 1265 1 3 . 1 1 42 42 GLY H H 42 7.896 7.896 7.351 0.545 19510 1266 1 3 . 1 1 43 43 LYS N N 43 119.965 119.965 123.227 -3.262 19510 1267 1 3 . 1 1 43 43 LYS HA H 43 4.737 4.737 4.286 0.451 19510 1268 1 3 . 1 1 43 43 LYS C C 43 175.246 175.246 175.605 -0.359 19510 1269 1 3 . 1 1 43 43 LYS CA C 43 54.189 54.189 56.482 -2.293 19510 1270 1 3 . 1 1 43 43 LYS CB C 43 33.208 33.208 32.751 0.457 19510 1271 1 3 . 1 1 43 43 LYS H H 43 8.104 8.104 7.975 0.129 19510 1272 1 3 . 1 1 44 44 THR N N 44 114.199 114.199 114.731 -0.532 19510 1273 1 3 . 1 1 44 44 THR HA H 44 4.773 4.773 4.560 0.213 19510 1274 1 3 . 1 1 44 44 THR C C 44 174.392 174.392 175.210 -0.818 19510 1275 1 3 . 1 1 44 44 THR CA C 44 58.348 58.348 60.271 -1.923 19510 1276 1 3 . 1 1 44 44 THR CB C 44 70.921 70.921 71.825 -0.904 19510 1277 1 3 . 1 1 44 44 THR H H 44 8.958 8.958 8.150 0.808 19510 1278 1 3 . 1 1 45 45 GLY N N 45 109.657 109.657 110.146 -0.489 19510 1279 1 3 . 1 1 45 45 GLY C C 45 175.330 175.330 175.511 -0.181 19510 1280 1 3 . 1 1 45 45 GLY CA C 45 45.315 45.315 46.208 -0.893 19510 1281 1 3 . 1 1 45 45 GLY H H 45 8.885 8.885 8.484 0.401 19510 1282 1 3 . 1 1 46 46 ASP N N 46 128.403 128.403 122.806 5.597 19510 1283 1 3 . 1 1 46 46 ASP HA H 46 4.561 4.561 4.476 0.085 19510 1284 1 3 . 1 1 46 46 ASP C C 46 177.343 177.343 178.326 -0.983 19510 1285 1 3 . 1 1 46 46 ASP CA C 46 55.829 55.829 56.980 -1.151 19510 1286 1 3 . 1 1 46 46 ASP CB C 46 39.039 39.039 40.677 -1.638 19510 1287 1 3 . 1 1 46 46 ASP H H 46 9.318 9.318 8.534 0.784 19510 1288 1 3 . 1 1 47 47 ASP N N 47 121.367 121.367 119.291 2.076 19510 1289 1 3 . 1 1 47 47 ASP HA H 47 4.668 4.668 4.439 0.229 19510 1290 1 3 . 1 1 47 47 ASP CA C 47 55.545 55.545 57.554 -2.009 19510 1291 1 3 . 1 1 47 47 ASP CB C 47 39.415 39.415 40.865 -1.450 19510 1292 1 3 . 1 1 47 47 ASP H H 47 8.521 8.521 7.965 0.556 19510 1293 1 3 . 1 1 48 48 ALA N N 48 123.210 123.210 122.114 1.096 19510 1294 1 3 . 1 1 48 48 ALA HA H 48 3.940 3.940 4.117 -0.177 19510 1295 1 3 . 1 1 48 48 ALA CA C 48 53.331 53.331 55.095 -1.764 19510 1296 1 3 . 1 1 48 48 ALA CB C 48 16.036 16.036 18.770 -2.734 19510 1297 1 3 . 1 1 48 48 ALA H H 48 7.262 7.262 7.244 0.018 19510 1298 1 3 . 1 1 49 49 ARG N N 49 120.088 120.088 119.348 0.740 19510 1299 1 3 . 1 1 49 49 ARG HA H 49 4.126 4.126 4.054 0.072 19510 1300 1 3 . 1 1 49 49 ARG CA C 49 57.876 57.876 59.149 -1.273 19510 1301 1 3 . 1 1 49 49 ARG CB C 49 28.774 28.774 30.055 -1.281 19510 1302 1 3 . 1 1 49 49 ARG H H 49 7.805 7.805 8.227 -0.422 19510 1303 1 3 . 1 1 50 50 ALA N N 50 121.061 121.061 121.157 -0.096 19510 1304 1 3 . 1 1 50 50 ALA HA H 50 4.218 4.218 4.108 0.110 19510 1305 1 3 . 1 1 50 50 ALA CA C 50 53.399 53.399 54.596 -1.197 19510 1306 1 3 . 1 1 50 50 ALA CB C 50 16.672 16.672 18.091 -1.419 19510 1307 1 3 . 1 1 50 50 ALA H H 50 8.387 8.387 8.227 0.160 19510 1308 1 3 . 1 1 51 51 TYR N N 51 119.264 119.264 118.889 0.375 19510 1309 1 3 . 1 1 51 51 TYR HA H 51 4.231 4.231 4.209 0.022 19510 1310 1 3 . 1 1 51 51 TYR C C 51 178.335 178.335 177.348 0.987 19510 1311 1 3 . 1 1 51 51 TYR CA C 51 60.493 60.493 60.349 0.144 19510 1312 1 3 . 1 1 51 51 TYR CB C 51 37.094 37.094 38.841 -1.747 19510 1313 1 3 . 1 1 51 51 TYR H H 51 8.095 8.095 7.638 0.457 19510 1314 1 3 . 1 1 52 52 ALA N N 52 124.002 124.002 121.286 2.716 19510 1315 1 3 . 1 1 52 52 ALA HA H 52 3.899 3.899 3.969 -0.070 19510 1316 1 3 . 1 1 52 52 ALA C C 52 178.352 178.352 179.438 -1.086 19510 1317 1 3 . 1 1 52 52 ALA CA C 52 54.394 54.394 54.023 0.371 19510 1318 1 3 . 1 1 52 52 ALA CB C 52 16.369 16.369 18.242 -1.873 19510 1319 1 3 . 1 1 52 52 ALA H H 52 8.651 8.651 8.066 0.585 19510 1320 1 3 . 1 1 53 53 LEU N N 53 116.593 116.593 115.815 0.778 19510 1321 1 3 . 1 1 53 53 LEU HA H 53 4.301 4.301 4.103 0.198 19510 1322 1 3 . 1 1 53 53 LEU C C 53 177.452 177.452 177.882 -0.430 19510 1323 1 3 . 1 1 53 53 LEU CA C 53 55.412 55.412 56.467 -1.055 19510 1324 1 3 . 1 1 53 53 LEU CB C 53 40.510 40.510 41.720 -1.210 19510 1325 1 3 . 1 1 53 53 LEU H H 53 7.664 7.664 7.496 0.168 19510 1326 1 3 . 1 1 54 54 THR N N 54 110.998 110.998 111.318 -0.320 19510 1327 1 3 . 1 1 54 54 THR HA H 54 4.401 4.401 4.420 -0.019 19510 1328 1 3 . 1 1 54 54 THR CA C 54 61.997 61.997 61.294 0.703 19510 1329 1 3 . 1 1 54 54 THR CB C 54 67.988 67.988 69.489 -1.501 19510 1330 1 3 . 1 1 54 54 THR H H 54 7.962 7.962 7.326 0.636 19510 1331 1 3 . 1 1 55 55 VAL N N 55 123.907 123.907 124.972 -1.065 19510 1332 1 3 . 1 1 55 55 VAL HA H 55 3.869 3.869 4.332 -0.463 19510 1333 1 3 . 1 1 55 55 VAL CA C 55 62.373 62.373 61.239 1.134 19510 1334 1 3 . 1 1 55 55 VAL CB C 55 29.037 29.037 31.810 -2.773 19510 1335 1 3 . 1 1 55 55 VAL H H 55 7.217 7.217 7.693 -0.476 19510 1336 1 3 . 1 1 56 56 VAL N N 56 119.176 119.176 127.064 -7.888 19510 1337 1 3 . 1 1 56 56 VAL HA H 56 4.300 4.300 4.538 -0.238 19510 1338 1 3 . 1 1 56 56 VAL CA C 56 55.363 55.363 61.933 -6.570 19510 1339 1 3 . 1 1 56 56 VAL CB C 56 32.466 32.466 33.881 -1.415 19510 1340 1 3 . 1 1 56 56 VAL H H 56 7.474 7.474 8.405 -0.931 19510 1341 1 3 . 1 1 57 57 THR N N 57 114.951 114.951 118.966 -4.015 19510 1342 1 3 . 1 1 57 57 THR HA H 57 4.509 4.509 4.591 -0.082 19510 1343 1 3 . 1 1 57 57 THR CA C 57 60.698 60.698 61.495 -0.797 19510 1344 1 3 . 1 1 57 57 THR CB C 57 68.177 68.177 69.768 -1.591 19510 1345 1 3 . 1 1 57 57 THR H H 57 7.992 7.992 8.112 -0.120 19510 1346 1 3 . 1 1 58 58 SER N N 58 119.820 119.820 118.112 1.708 19510 1347 1 3 . 1 1 58 58 SER HA H 58 4.554 4.554 4.857 -0.303 19510 1348 1 3 . 1 1 58 58 SER CA C 58 57.409 57.409 57.797 -0.388 19510 1349 1 3 . 1 1 58 58 SER CB C 58 62.399 62.399 65.728 -3.329 19510 1350 1 3 . 1 1 58 58 SER H H 58 8.473 8.473 8.300 0.173 19510 1351 1 3 . 1 1 59 59 ASP N N 59 122.199 122.199 124.038 -1.839 19510 1352 1 3 . 1 1 59 59 ASP HA H 59 4.762 4.762 5.143 -0.381 19510 1353 1 3 . 1 1 59 59 ASP C C 59 175.459 175.459 174.482 0.977 19510 1354 1 3 . 1 1 59 59 ASP CA C 59 52.469 52.469 53.542 -1.073 19510 1355 1 3 . 1 1 59 59 ASP CB C 59 39.455 39.455 43.879 -4.424 19510 1356 1 3 . 1 1 59 59 ASP H H 59 8.285 8.285 8.582 -0.297 19510 1357 1 3 . 1 1 60 60 PHE HA H 60 4.182 4.182 4.791 -0.609 19510 1358 1 3 . 1 1 60 60 PHE CA C 60 59.253 59.253 58.435 0.818 19510 1359 1 3 . 1 1 60 60 PHE CB C 60 35.163 35.163 41.588 -6.425 19510 1360 1 3 . 1 1 63 63 PRO HA H 63 4.606 4.606 4.498 0.108 19510 1361 1 3 . 1 1 63 63 PRO CA C 63 55.716 55.716 63.133 -7.417 19510 1362 1 3 . 1 1 63 63 PRO CB C 63 30.732 30.732 32.127 -1.395 19510 1363 1 3 . 1 1 64 64 GLY N N 64 110.382 110.382 109.619 0.763 19510 1364 1 3 . 1 1 64 64 GLY CA C 64 44.280 44.280 44.596 -0.316 19510 1365 1 3 . 1 1 64 64 GLY H H 64 8.706 8.706 7.838 0.868 19510 1366 1 3 . 1 1 65 65 ASP N N 65 121.977 121.977 119.937 2.040 19510 1367 1 3 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.571 0.092 19510 1368 1 3 . 1 1 65 65 ASP CA C 65 55.765 55.765 56.175 -0.410 19510 1369 1 3 . 1 1 65 65 ASP CB C 65 39.579 39.579 41.320 -1.741 19510 1370 1 3 . 1 1 65 65 ASP H H 65 8.661 8.661 8.596 0.065 19510 1371 1 3 . 1 1 66 66 GLU N N 66 120.065 120.065 116.353 3.712 19510 1372 1 3 . 1 1 66 66 GLU HA H 66 4.437 4.437 4.610 -0.173 19510 1373 1 3 . 1 1 66 66 GLU CA C 66 57.520 57.520 56.648 0.872 19510 1374 1 3 . 1 1 66 66 GLU CB C 66 27.598 27.598 30.705 -3.107 19510 1375 1 3 . 1 1 66 66 GLU H H 66 8.643 8.643 8.079 0.564 19510 1376 1 3 . 1 1 67 67 ASP N N 67 120.033 120.033 120.351 -0.318 19510 1377 1 3 . 1 1 67 67 ASP HA H 67 4.609 4.609 4.208 0.401 19510 1378 1 3 . 1 1 67 67 ASP CA C 67 55.601 55.601 56.915 -1.314 19510 1379 1 3 . 1 1 67 67 ASP CB C 67 39.106 39.106 40.038 -0.932 19510 1380 1 3 . 1 1 67 67 ASP H H 67 8.272 8.272 8.400 -0.128 19510 1381 1 3 . 1 1 68 68 VAL N N 68 123.206 123.206 120.572 2.634 19510 1382 1 3 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.743 0.074 19510 1383 1 3 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.469 0.246 19510 1384 1 3 . 1 1 68 68 VAL CB C 68 30.705 30.705 31.264 -0.559 19510 1385 1 3 . 1 1 68 68 VAL H H 68 8.045 8.045 7.545 0.500 19510 1386 1 3 . 1 1 69 69 PHE N N 69 120.600 120.600 117.048 3.552 19510 1387 1 3 . 1 1 69 69 PHE HA H 69 4.158 4.158 4.379 -0.221 19510 1388 1 3 . 1 1 69 69 PHE CA C 69 61.013 61.013 59.946 1.067 19510 1389 1 3 . 1 1 69 69 PHE CB C 69 37.455 37.455 37.269 0.186 19510 1390 1 3 . 1 1 69 69 PHE H H 69 8.488 8.488 7.159 1.329 19510 1391 1 3 . 1 1 70 70 ARG N N 70 117.820 117.820 121.185 -3.365 19510 1392 1 3 . 1 1 70 70 ARG HA H 70 3.755 3.755 3.907 -0.152 19510 1393 1 3 . 1 1 70 70 ARG C C 70 178.813 178.813 177.673 1.140 19510 1394 1 3 . 1 1 70 70 ARG CA C 70 58.184 58.184 60.100 -1.916 19510 1395 1 3 . 1 1 70 70 ARG CB C 70 28.899 28.899 29.980 -1.081 19510 1396 1 3 . 1 1 70 70 ARG H H 70 8.611 8.611 7.764 0.847 19510 1397 1 3 . 1 1 71 71 LYS N N 71 121.726 121.726 116.418 5.308 19510 1398 1 3 . 1 1 71 71 LYS HA H 71 4.253 4.253 4.215 0.038 19510 1399 1 3 . 1 1 71 71 LYS C C 71 177.020 177.020 177.259 -0.239 19510 1400 1 3 . 1 1 71 71 LYS CA C 71 58.490 58.490 57.958 0.532 19510 1401 1 3 . 1 1 71 71 LYS CB C 71 31.216 31.216 31.819 -0.603 19510 1402 1 3 . 1 1 71 71 LYS H H 71 7.686 7.686 7.737 -0.051 19510 1403 1 3 . 1 1 72 72 LEU N N 72 119.355 119.355 119.085 0.270 19510 1404 1 3 . 1 1 72 72 LEU HA H 72 4.051 4.051 4.486 -0.435 19510 1405 1 3 . 1 1 72 72 LEU C C 72 177.378 177.378 178.158 -0.780 19510 1406 1 3 . 1 1 72 72 LEU CA C 72 56.317 56.317 56.289 0.028 19510 1407 1 3 . 1 1 72 72 LEU CB C 72 41.148 41.148 42.974 -1.826 19510 1408 1 3 . 1 1 72 72 LEU H H 72 8.215 8.215 8.051 0.164 19510 1409 1 3 . 1 1 73 73 ALA N N 73 121.106 121.106 122.832 -1.726 19510 1410 1 3 . 1 1 73 73 ALA HA H 73 3.767 3.767 3.975 -0.208 19510 1411 1 3 . 1 1 73 73 ALA C C 73 179.644 179.644 179.266 0.378 19510 1412 1 3 . 1 1 73 73 ALA CA C 73 53.263 53.263 55.265 -2.002 19510 1413 1 3 . 1 1 73 73 ALA CB C 73 15.930 15.930 18.469 -2.539 19510 1414 1 3 . 1 1 73 73 ALA H H 73 9.143 9.143 8.622 0.521 19510 1415 1 3 . 1 1 74 74 ALA N N 74 119.383 119.383 117.685 1.698 19510 1416 1 3 . 1 1 74 74 ALA HA H 74 4.384 4.384 4.191 0.193 19510 1417 1 3 . 1 1 74 74 ALA C C 74 179.752 179.752 179.625 0.127 19510 1418 1 3 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.038 -0.514 19510 1419 1 3 . 1 1 74 74 ALA CB C 74 17.094 17.094 18.507 -1.413 19510 1420 1 3 . 1 1 74 74 ALA H H 74 7.403 7.403 7.725 -0.322 19510 1421 1 3 . 1 1 75 75 ASP N N 75 120.226 120.226 120.064 0.162 19510 1422 1 3 . 1 1 75 75 ASP HA H 75 4.523 4.523 4.504 0.019 19510 1423 1 3 . 1 1 75 75 ASP C C 75 177.704 177.704 178.087 -0.383 19510 1424 1 3 . 1 1 75 75 ASP CA C 75 55.312 55.312 56.917 -1.605 19510 1425 1 3 . 1 1 75 75 ASP CB C 75 38.326 38.326 41.241 -2.915 19510 1426 1 3 . 1 1 75 75 ASP H H 75 8.536 8.536 7.625 0.911 19510 1427 1 3 . 1 1 76 76 LEU N N 76 115.468 115.468 120.918 -5.450 19510 1428 1 3 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.297 0.095 19510 1429 1 3 . 1 1 76 76 LEU C C 76 174.790 174.790 175.413 -0.623 19510 1430 1 3 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.538 -0.914 19510 1431 1 3 . 1 1 76 76 LEU CB C 76 39.594 39.594 40.029 -0.435 19510 1432 1 3 . 1 1 76 76 LEU H H 76 8.612 8.612 8.534 0.078 19510 1433 1 3 . 1 1 77 77 GLU N N 77 124.725 124.725 122.362 2.363 19510 1434 1 3 . 1 1 77 77 GLU HA H 77 4.343 4.343 4.023 0.320 19510 1435 1 3 . 1 1 77 77 GLU C C 77 176.953 176.953 177.593 -0.640 19510 1436 1 3 . 1 1 77 77 GLU CA C 77 57.345 57.345 57.492 -0.146 19510 1437 1 3 . 1 1 77 77 GLU CB C 77 27.555 27.555 29.134 -1.579 19510 1438 1 3 . 1 1 77 77 GLU H H 77 7.158 7.158 7.575 -0.417 19510 1439 1 3 . 1 1 78 78 GLY N N 78 118.105 118.105 113.753 4.352 19510 1440 1 3 . 1 1 78 78 GLY C C 78 173.075 173.075 174.866 -1.791 19510 1441 1 3 . 1 1 78 78 GLY CA C 78 44.269 44.269 46.165 -1.896 19510 1442 1 3 . 1 1 78 78 GLY H H 78 9.392 9.392 8.678 0.714 19510 1443 1 3 . 1 1 79 79 LYS N N 79 120.237 120.237 118.541 1.696 19510 1444 1 3 . 1 1 79 79 LYS HA H 79 4.663 4.663 4.444 0.219 19510 1445 1 3 . 1 1 79 79 LYS C C 79 175.050 175.050 174.801 0.249 19510 1446 1 3 . 1 1 79 79 LYS CA C 79 54.683 54.683 56.134 -1.451 19510 1447 1 3 . 1 1 79 79 LYS CB C 79 33.435 33.435 33.907 -0.472 19510 1448 1 3 . 1 1 79 79 LYS H H 79 8.809 8.809 8.277 0.532 19510 1449 1 3 . 1 1 80 80 ALA N N 80 121.135 121.135 120.950 0.185 19510 1450 1 3 . 1 1 80 80 ALA HA H 80 4.893 4.893 4.669 0.224 19510 1451 1 3 . 1 1 80 80 ALA C C 80 174.051 174.051 174.711 -0.660 19510 1452 1 3 . 1 1 80 80 ALA CA C 80 50.289 50.289 51.599 -1.310 19510 1453 1 3 . 1 1 80 80 ALA CB C 80 20.483 20.483 21.713 -1.230 19510 1454 1 3 . 1 1 80 80 ALA H H 80 8.169 8.169 7.425 0.744 19510 1455 1 3 . 1 1 81 81 ASP N N 81 121.569 121.569 122.759 -1.190 19510 1456 1 3 . 1 1 81 81 ASP HA H 81 4.898 4.898 4.720 0.178 19510 1457 1 3 . 1 1 81 81 ASP CA C 81 50.397 50.397 53.627 -3.229 19510 1458 1 3 . 1 1 81 81 ASP CB C 81 40.401 40.401 42.048 -1.647 19510 1459 1 3 . 1 1 81 81 ASP H H 81 8.330 8.330 8.478 -0.148 19510 1460 1 3 . 1 1 82 82 GLU N N 82 119.843 119.843 120.902 -1.059 19510 1461 1 3 . 1 1 82 82 GLU HA H 82 4.185 4.185 3.944 0.241 19510 1462 1 3 . 1 1 82 82 GLU C C 82 177.350 177.350 178.425 -1.075 19510 1463 1 3 . 1 1 82 82 GLU CA C 82 59.676 59.676 59.991 -0.315 19510 1464 1 3 . 1 1 82 82 GLU CB C 82 27.893 27.893 29.651 -1.758 19510 1465 1 3 . 1 1 82 82 GLU H H 82 8.923 8.923 8.819 0.104 19510 1466 1 3 . 1 1 83 83 GLU N N 83 119.348 119.348 115.696 3.652 19510 1467 1 3 . 1 1 83 83 GLU HA H 83 4.177 4.177 4.170 0.007 19510 1468 1 3 . 1 1 83 83 GLU C C 83 178.794 178.794 178.519 0.275 19510 1469 1 3 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.782 0.299 19510 1470 1 3 . 1 1 83 83 GLU CB C 83 28.879 28.879 28.785 0.094 19510 1471 1 3 . 1 1 83 83 GLU H H 83 8.832 8.832 8.763 0.069 19510 1472 1 3 . 1 1 84 84 THR N N 84 119.892 119.892 117.841 2.051 19510 1473 1 3 . 1 1 84 84 THR HA H 84 4.140 4.140 4.081 0.059 19510 1474 1 3 . 1 1 84 84 THR C C 84 176.165 176.165 175.918 0.247 19510 1475 1 3 . 1 1 84 84 THR CA C 84 65.721 65.721 66.537 -0.816 19510 1476 1 3 . 1 1 84 84 THR CB C 84 66.751 66.751 68.685 -1.934 19510 1477 1 3 . 1 1 84 84 THR H H 84 8.576 8.576 7.517 1.059 19510 1478 1 3 . 1 1 85 85 ILE N N 85 123.655 123.655 121.794 1.861 19510 1479 1 3 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.625 0.194 19510 1480 1 3 . 1 1 85 85 ILE C C 85 174.809 174.809 177.109 -2.300 19510 1481 1 3 . 1 1 85 85 ILE CA C 85 64.891 64.891 65.312 -0.421 19510 1482 1 3 . 1 1 85 85 ILE CB C 85 37.797 37.797 37.518 0.279 19510 1483 1 3 . 1 1 85 85 ILE H H 85 8.572 8.572 7.704 0.868 19510 1484 1 3 . 1 1 86 86 ARG N N 86 119.670 119.670 119.178 0.492 19510 1485 1 3 . 1 1 86 86 ARG HA H 86 4.186 4.186 3.747 0.439 19510 1486 1 3 . 1 1 86 86 ARG CA C 86 58.766 58.766 58.623 0.143 19510 1487 1 3 . 1 1 86 86 ARG CB C 86 28.165 28.165 28.801 -0.636 19510 1488 1 3 . 1 1 86 86 ARG H H 86 9.092 9.092 7.456 1.636 19510 1489 1 3 . 1 1 87 87 ALA N N 87 121.431 121.431 120.824 0.607 19510 1490 1 3 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.083 0.224 19510 1491 1 3 . 1 1 87 87 ALA CA C 87 53.558 53.558 54.348 -0.790 19510 1492 1 3 . 1 1 87 87 ALA CB C 87 16.382 16.382 18.736 -2.354 19510 1493 1 3 . 1 1 87 87 ALA H H 87 8.242 8.242 7.468 0.774 19510 1494 1 3 . 1 1 88 88 LYS N N 88 122.742 122.742 118.925 3.817 19510 1495 1 3 . 1 1 88 88 LYS HA H 88 4.011 4.011 3.893 0.118 19510 1496 1 3 . 1 1 88 88 LYS CA C 88 55.172 55.172 58.561 -3.389 19510 1497 1 3 . 1 1 88 88 LYS CB C 88 29.078 29.078 31.794 -2.716 19510 1498 1 3 . 1 1 88 88 LYS H H 88 8.182 8.182 7.887 0.295 19510 1499 1 3 . 1 1 89 89 MET N N 89 118.686 118.686 116.360 2.326 19510 1500 1 3 . 1 1 89 89 MET HA H 89 3.854 3.854 4.151 -0.297 19510 1501 1 3 . 1 1 89 89 MET CA C 89 59.175 59.175 58.096 1.079 19510 1502 1 3 . 1 1 89 89 MET CB C 89 31.697 31.697 32.285 -0.588 19510 1503 1 3 . 1 1 89 89 MET H H 89 8.504 8.504 7.340 1.164 19510 1504 1 3 . 1 1 90 90 VAL N N 90 120.987 120.987 116.254 4.733 19510 1505 1 3 . 1 1 90 90 VAL HA H 90 3.853 3.853 3.937 -0.084 19510 1506 1 3 . 1 1 90 90 VAL C C 90 178.017 178.017 177.801 0.216 19510 1507 1 3 . 1 1 90 90 VAL CA C 90 64.868 64.868 63.801 1.067 19510 1508 1 3 . 1 1 90 90 VAL CB C 90 31.054 31.054 32.806 -1.752 19510 1509 1 3 . 1 1 90 90 VAL H H 90 7.573 7.573 7.407 0.166 19510 1510 1 3 . 1 1 91 91 GLU N N 91 124.236 124.236 123.084 1.152 19510 1511 1 3 . 1 1 91 91 GLU HA H 91 3.802 3.802 3.996 -0.194 19510 1512 1 3 . 1 1 91 91 GLU C C 91 177.612 177.612 178.673 -1.061 19510 1513 1 3 . 1 1 91 91 GLU CA C 91 58.414 58.414 59.694 -1.280 19510 1514 1 3 . 1 1 91 91 GLU CB C 91 30.606 30.606 29.604 1.002 19510 1515 1 3 . 1 1 91 91 GLU H H 91 8.494 8.494 7.944 0.550 19510 1516 1 3 . 1 1 92 92 LEU N N 92 114.818 114.818 118.240 -3.422 19510 1517 1 3 . 1 1 92 92 LEU HA H 92 4.336 4.336 4.318 0.018 19510 1518 1 3 . 1 1 92 92 LEU C C 92 177.928 177.928 177.754 0.174 19510 1519 1 3 . 1 1 92 92 LEU CA C 92 56.351 56.351 55.039 1.312 19510 1520 1 3 . 1 1 92 92 LEU CB C 92 39.780 39.780 41.154 -1.374 19510 1521 1 3 . 1 1 92 92 LEU H H 92 8.833 8.833 7.428 1.405 19510 1522 1 3 . 1 1 93 93 ARG N N 93 123.398 123.398 120.420 2.978 19510 1523 1 3 . 1 1 93 93 ARG HA H 93 3.997 3.997 3.971 0.026 19510 1524 1 3 . 1 1 93 93 ARG C C 93 176.350 176.350 177.146 -0.796 19510 1525 1 3 . 1 1 93 93 ARG CA C 93 58.848 58.848 58.808 0.040 19510 1526 1 3 . 1 1 93 93 ARG CB C 93 28.592 28.592 30.108 -1.516 19510 1527 1 3 . 1 1 93 93 ARG H H 93 7.746 7.746 7.548 0.198 19510 1528 1 3 . 1 1 94 94 ALA N N 94 122.480 122.480 120.482 1.998 19510 1529 1 3 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.218 0.043 19510 1530 1 3 . 1 1 94 94 ALA C C 94 179.805 179.805 178.634 1.171 19510 1531 1 3 . 1 1 94 94 ALA CA C 94 54.529 54.529 53.926 0.603 19510 1532 1 3 . 1 1 94 94 ALA CB C 94 16.423 16.423 19.153 -2.730 19510 1533 1 3 . 1 1 94 94 ALA H H 94 7.322 7.322 7.944 -0.622 19510 1534 1 3 . 1 1 95 95 THR N N 95 116.936 116.936 117.162 -0.226 19510 1535 1 3 . 1 1 95 95 THR HA H 95 4.045 4.045 4.022 0.023 19510 1536 1 3 . 1 1 95 95 THR C C 95 175.007 175.007 176.373 -1.366 19510 1537 1 3 . 1 1 95 95 THR CA C 95 64.868 64.868 66.630 -1.762 19510 1538 1 3 . 1 1 95 95 THR CB C 95 67.633 67.633 68.619 -0.986 19510 1539 1 3 . 1 1 95 95 THR H H 95 8.275 8.275 8.201 0.074 19510 1540 1 3 . 1 1 96 96 ALA N N 96 123.969 123.969 123.574 0.395 19510 1541 1 3 . 1 1 96 96 ALA HA H 96 3.904 3.904 3.912 -0.008 19510 1542 1 3 . 1 1 96 96 ALA C C 96 178.184 178.184 178.861 -0.677 19510 1543 1 3 . 1 1 96 96 ALA CA C 96 54.098 54.098 55.293 -1.195 19510 1544 1 3 . 1 1 96 96 ALA CB C 96 18.118 18.118 18.418 -0.300 19510 1545 1 3 . 1 1 96 96 ALA H H 96 8.688 8.688 8.322 0.366 19510 1546 1 3 . 1 1 97 97 ARG N N 97 117.393 117.393 117.055 0.338 19510 1547 1 3 . 1 1 97 97 ARG HA H 97 3.857 3.857 4.164 -0.307 19510 1548 1 3 . 1 1 97 97 ARG C C 97 176.770 176.770 178.466 -1.696 19510 1549 1 3 . 1 1 97 97 ARG CA C 97 58.669 58.669 58.861 -0.192 19510 1550 1 3 . 1 1 97 97 ARG CB C 97 28.932 28.932 30.154 -1.222 19510 1551 1 3 . 1 1 97 97 ARG H H 97 8.073 8.073 7.866 0.207 19510 1552 1 3 . 1 1 98 98 GLU N N 98 118.029 118.029 120.524 -2.495 19510 1553 1 3 . 1 1 98 98 GLU HA H 98 4.180 4.180 3.918 0.262 19510 1554 1 3 . 1 1 98 98 GLU C C 98 178.865 178.865 178.975 -0.110 19510 1555 1 3 . 1 1 98 98 GLU CA C 98 57.867 57.867 59.288 -1.421 19510 1556 1 3 . 1 1 98 98 GLU CB C 98 27.704 27.704 29.251 -1.547 19510 1557 1 3 . 1 1 98 98 GLU H H 98 7.896 7.896 7.846 0.050 19510 1558 1 3 . 1 1 99 99 GLN N N 99 119.735 119.735 116.544 3.191 19510 1559 1 3 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.075 0.110 19510 1560 1 3 . 1 1 99 99 GLN C C 99 178.146 178.146 177.798 0.348 19510 1561 1 3 . 1 1 99 99 GLN CA C 99 57.748 57.748 58.302 -0.554 19510 1562 1 3 . 1 1 99 99 GLN CB C 99 27.529 27.529 28.812 -1.283 19510 1563 1 3 . 1 1 99 99 GLN H H 99 8.320 8.320 8.199 0.121 19510 1564 1 3 . 1 1 100 100 ILE N N 100 119.676 119.676 117.231 2.445 19510 1565 1 3 . 1 1 100 100 ILE HA H 100 3.993 3.993 3.938 0.055 19510 1566 1 3 . 1 1 100 100 ILE C C 100 178.315 178.315 178.146 0.169 19510 1567 1 3 . 1 1 100 100 ILE CA C 100 60.935 60.935 62.378 -1.443 19510 1568 1 3 . 1 1 100 100 ILE CB C 100 34.935 34.935 38.255 -3.320 19510 1569 1 3 . 1 1 100 100 ILE H H 100 8.398 8.398 7.532 0.866 19510 1570 1 3 . 1 1 101 101 ILE N N 101 120.600 120.600 119.907 0.693 19510 1571 1 3 . 1 1 101 101 ILE HA H 101 4.027 4.027 3.558 0.469 19510 1572 1 3 . 1 1 101 101 ILE C C 101 177.006 177.006 177.444 -0.438 19510 1573 1 3 . 1 1 101 101 ILE CA C 101 62.382 62.382 64.484 -2.102 19510 1574 1 3 . 1 1 101 101 ILE CB C 101 36.195 36.195 37.509 -1.314 19510 1575 1 3 . 1 1 101 101 ILE H H 101 8.350 8.350 7.458 0.892 19510 1576 1 3 . 1 1 102 102 SER N N 102 116.172 116.172 113.234 2.938 19510 1577 1 3 . 1 1 102 102 SER HA H 102 4.589 4.589 4.513 0.076 19510 1578 1 3 . 1 1 102 102 SER C C 102 173.845 173.845 174.361 -0.516 19510 1579 1 3 . 1 1 102 102 SER CA C 102 58.735 58.735 58.433 0.302 19510 1580 1 3 . 1 1 102 102 SER CB C 102 62.254 62.254 63.507 -1.253 19510 1581 1 3 . 1 1 102 102 SER H H 102 7.896 7.896 7.758 0.138 19510 1582 1 3 . 1 1 103 103 GLU N N 103 122.642 122.642 121.321 1.321 19510 1583 1 3 . 1 1 103 103 GLU HA H 103 4.473 4.473 4.396 0.077 19510 1584 1 3 . 1 1 103 103 GLU C C 103 175.095 175.095 176.165 -1.070 19510 1585 1 3 . 1 1 103 103 GLU CA C 103 55.006 55.006 55.978 -0.973 19510 1586 1 3 . 1 1 103 103 GLU CB C 103 28.770 28.770 30.491 -1.721 19510 1587 1 3 . 1 1 103 103 GLU H H 103 7.780 7.780 7.967 -0.187 19510 1588 1 4 . 1 1 4 4 PHE N N 4 122.548 122.548 119.668 2.880 19510 1589 1 4 . 1 1 4 4 PHE HA H 4 4.680 4.680 4.687 -0.007 19510 1590 1 4 . 1 1 4 4 PHE CA C 4 57.087 57.087 57.089 -0.002 19510 1591 1 4 . 1 1 4 4 PHE CB C 4 38.126 38.126 42.306 -4.180 19510 1592 1 4 . 1 1 4 4 PHE H H 4 8.328 8.328 7.651 0.677 19510 1593 1 4 . 1 1 7 7 ARG N N 7 121.962 121.962 120.595 1.367 19510 1594 1 4 . 1 1 7 7 ARG HA H 7 4.265 4.265 4.308 -0.043 19510 1595 1 4 . 1 1 7 7 ARG C C 7 176.683 176.683 176.290 0.393 19510 1596 1 4 . 1 1 7 7 ARG CA C 7 56.502 56.502 56.579 -0.077 19510 1597 1 4 . 1 1 7 7 ARG CB C 7 28.840 28.840 29.579 -0.739 19510 1598 1 4 . 1 1 7 7 ARG H H 7 8.339 8.339 8.547 -0.208 19510 1599 1 4 . 1 1 8 8 GLU N N 8 121.095 121.095 120.005 1.090 19510 1600 1 4 . 1 1 8 8 GLU HA H 8 4.233 4.233 4.356 -0.123 19510 1601 1 4 . 1 1 8 8 GLU C C 8 176.964 176.964 176.286 0.678 19510 1602 1 4 . 1 1 8 8 GLU CA C 8 57.517 57.517 56.350 1.167 19510 1603 1 4 . 1 1 8 8 GLU CB C 8 27.744 27.744 30.616 -2.872 19510 1604 1 4 . 1 1 8 8 GLU H H 8 8.384 8.384 7.688 0.696 19510 1605 1 4 . 1 1 9 9 ARG N N 9 121.320 121.320 118.977 2.343 19510 1606 1 4 . 1 1 9 9 ARG HA H 9 4.310 4.310 4.292 0.018 19510 1607 1 4 . 1 1 9 9 ARG C C 9 176.563 176.563 175.793 0.770 19510 1608 1 4 . 1 1 9 9 ARG CA C 9 56.233 56.233 56.288 -0.055 19510 1609 1 4 . 1 1 9 9 ARG CB C 9 28.977 28.977 30.579 -1.602 19510 1610 1 4 . 1 1 9 9 ARG H H 9 8.291 8.291 7.613 0.678 19510 1611 1 4 . 1 1 10 10 ALA N N 10 123.900 123.900 121.948 1.952 19510 1612 1 4 . 1 1 10 10 ALA HA H 10 4.333 4.333 4.605 -0.272 19510 1613 1 4 . 1 1 10 10 ALA C C 10 178.129 178.129 177.262 0.867 19510 1614 1 4 . 1 1 10 10 ALA CA C 10 52.348 52.348 51.796 0.552 19510 1615 1 4 . 1 1 10 10 ALA CB C 10 17.396 17.396 19.690 -2.294 19510 1616 1 4 . 1 1 10 10 ALA H H 10 8.225 8.225 8.388 -0.163 19510 1617 1 4 . 1 1 11 11 HIS N N 11 117.829 117.829 115.625 2.204 19510 1618 1 4 . 1 1 11 11 HIS HA H 11 4.740 4.740 4.471 0.269 19510 1619 1 4 . 1 1 11 11 HIS C C 11 175.013 175.013 174.794 0.219 19510 1620 1 4 . 1 1 11 11 HIS CA C 11 55.041 55.041 56.571 -1.530 19510 1621 1 4 . 1 1 11 11 HIS CB C 11 27.391 27.391 28.652 -1.261 19510 1622 1 4 . 1 1 11 11 HIS H H 11 8.500 8.500 8.958 -0.458 19510 1623 1 4 . 1 1 12 12 GLU N N 12 121.398 121.398 122.254 -0.856 19510 1624 1 4 . 1 1 12 12 GLU HA H 12 4.326 4.326 4.222 0.104 19510 1625 1 4 . 1 1 12 12 GLU C C 12 176.808 176.808 178.280 -1.472 19510 1626 1 4 . 1 1 12 12 GLU CA C 12 56.517 56.517 58.175 -1.658 19510 1627 1 4 . 1 1 12 12 GLU CB C 12 28.289 28.289 29.622 -1.333 19510 1628 1 4 . 1 1 12 12 GLU H H 12 8.456 8.456 8.138 0.318 19510 1629 1 4 . 1 1 13 13 ALA N N 13 124.231 124.231 122.520 1.711 19510 1630 1 4 . 1 1 13 13 ALA HA H 13 4.309 4.309 4.365 -0.056 19510 1631 1 4 . 1 1 13 13 ALA C C 13 178.197 178.197 179.687 -1.490 19510 1632 1 4 . 1 1 13 13 ALA CA C 13 53.511 53.511 54.074 -0.563 19510 1633 1 4 . 1 1 13 13 ALA CB C 13 17.174 17.174 18.065 -0.891 19510 1634 1 4 . 1 1 13 13 ALA H H 13 8.444 8.444 8.456 -0.012 19510 1635 1 4 . 1 1 14 14 LYS N N 14 120.159 120.159 119.268 0.891 19510 1636 1 4 . 1 1 14 14 LYS HA H 14 4.257 4.257 4.144 0.113 19510 1637 1 4 . 1 1 14 14 LYS C C 14 176.757 176.757 177.752 -0.995 19510 1638 1 4 . 1 1 14 14 LYS CA C 14 56.461 56.461 57.560 -1.099 19510 1639 1 4 . 1 1 14 14 LYS CB C 14 31.191 31.191 31.606 -0.415 19510 1640 1 4 . 1 1 14 14 LYS H H 14 8.136 8.136 8.041 0.095 19510 1641 1 4 . 1 1 15 15 PHE N N 15 118.588 118.588 118.021 0.567 19510 1642 1 4 . 1 1 15 15 PHE HA H 15 4.527 4.527 4.344 0.183 19510 1643 1 4 . 1 1 15 15 PHE C C 15 175.635 175.635 176.617 -0.982 19510 1644 1 4 . 1 1 15 15 PHE CA C 15 57.992 57.992 60.801 -2.809 19510 1645 1 4 . 1 1 15 15 PHE CB C 15 37.908 37.908 38.993 -1.085 19510 1646 1 4 . 1 1 15 15 PHE H H 15 7.998 7.998 7.684 0.314 19510 1647 1 4 . 1 1 16 16 ALA N N 16 122.847 122.847 118.821 4.026 19510 1648 1 4 . 1 1 16 16 ALA HA H 16 4.317 4.317 4.414 -0.097 19510 1649 1 4 . 1 1 16 16 ALA C C 16 177.641 177.641 176.881 0.760 19510 1650 1 4 . 1 1 16 16 ALA CA C 16 52.317 52.317 52.809 -0.491 19510 1651 1 4 . 1 1 16 16 ALA CB C 16 17.378 17.378 19.126 -1.748 19510 1652 1 4 . 1 1 16 16 ALA H H 16 8.172 8.172 7.709 0.463 19510 1653 1 4 . 1 1 17 17 HIS N N 17 115.904 115.904 116.944 -1.040 19510 1654 1 4 . 1 1 17 17 HIS HA H 17 4.839 4.839 4.720 0.119 19510 1655 1 4 . 1 1 17 17 HIS CA C 17 54.594 54.594 56.919 -2.325 19510 1656 1 4 . 1 1 17 17 HIS CB C 17 27.532 27.532 33.121 -5.589 19510 1657 1 4 . 1 1 17 17 HIS H H 17 8.218 8.218 8.079 0.139 19510 1658 1 4 . 1 1 18 18 ASP N N 18 121.432 121.432 121.581 -0.149 19510 1659 1 4 . 1 1 18 18 ASP HA H 18 4.758 4.758 4.853 -0.095 19510 1660 1 4 . 1 1 18 18 ASP CA C 18 53.004 53.004 54.337 -1.333 19510 1661 1 4 . 1 1 18 18 ASP CB C 18 39.571 39.571 42.353 -2.782 19510 1662 1 4 . 1 1 18 18 ASP H H 18 8.103 8.103 8.437 -0.334 19510 1663 1 4 . 1 1 19 19 ALA N N 19 126.628 126.628 128.446 -1.818 19510 1664 1 4 . 1 1 19 19 ALA HA H 19 4.303 4.303 4.048 0.255 19510 1665 1 4 . 1 1 19 19 ALA CA C 19 53.177 53.177 54.958 -1.780 19510 1666 1 4 . 1 1 19 19 ALA CB C 19 17.231 17.231 18.954 -1.723 19510 1667 1 4 . 1 1 19 19 ALA H H 19 8.588 8.588 8.660 -0.072 19510 1668 1 4 . 1 1 20 20 GLU N N 20 119.826 119.826 118.358 1.468 19510 1669 1 4 . 1 1 20 20 GLU HA H 20 4.314 4.314 4.140 0.174 19510 1670 1 4 . 1 1 20 20 GLU CA C 20 57.403 57.403 58.894 -1.491 19510 1671 1 4 . 1 1 20 20 GLU CB C 20 27.780 27.780 29.474 -1.694 19510 1672 1 4 . 1 1 20 20 GLU H H 20 8.391 8.391 8.697 -0.306 19510 1673 1 4 . 1 1 21 21 LEU N N 21 122.268 122.268 118.508 3.760 19510 1674 1 4 . 1 1 21 21 LEU HA H 21 4.179 4.179 4.096 0.083 19510 1675 1 4 . 1 1 21 21 LEU CA C 21 56.531 56.531 56.870 -0.340 19510 1676 1 4 . 1 1 21 21 LEU CB C 21 40.255 40.255 41.109 -0.854 19510 1677 1 4 . 1 1 21 21 LEU H H 21 8.134 8.134 7.316 0.818 19510 1678 1 4 . 1 1 22 22 ASN N N 22 118.005 118.005 118.917 -0.912 19510 1679 1 4 . 1 1 22 22 ASN HA H 22 4.665 4.665 4.595 0.070 19510 1680 1 4 . 1 1 22 22 ASN CA C 22 55.493 55.493 56.541 -1.048 19510 1681 1 4 . 1 1 22 22 ASN CB C 22 37.084 37.084 38.374 -1.290 19510 1682 1 4 . 1 1 22 22 ASN H H 22 8.456 8.456 7.395 1.061 19510 1683 1 4 . 1 1 23 23 PHE N N 23 121.379 121.379 119.342 2.037 19510 1684 1 4 . 1 1 23 23 PHE HA H 23 4.509 4.509 4.223 0.286 19510 1685 1 4 . 1 1 23 23 PHE CA C 23 59.496 59.496 62.084 -2.588 19510 1686 1 4 . 1 1 23 23 PHE CB C 23 37.380 37.380 38.985 -1.605 19510 1687 1 4 . 1 1 23 23 PHE H H 23 8.453 8.453 8.464 -0.011 19510 1688 1 4 . 1 1 24 24 LYS N N 24 120.674 120.674 119.634 1.040 19510 1689 1 4 . 1 1 24 24 LYS HA H 24 4.191 4.191 4.058 0.133 19510 1690 1 4 . 1 1 24 24 LYS C C 24 179.309 179.309 177.808 1.501 19510 1691 1 4 . 1 1 24 24 LYS CA C 24 58.132 58.132 58.805 -0.673 19510 1692 1 4 . 1 1 24 24 LYS CB C 24 31.828 31.828 32.127 -0.298 19510 1693 1 4 . 1 1 24 24 LYS H H 24 8.504 8.504 7.892 0.612 19510 1694 1 4 . 1 1 25 25 ALA N N 25 123.584 123.584 120.961 2.623 19510 1695 1 4 . 1 1 25 25 ALA HA H 25 4.146 4.146 4.197 -0.051 19510 1696 1 4 . 1 1 25 25 ALA C C 25 178.243 178.243 180.053 -1.810 19510 1697 1 4 . 1 1 25 25 ALA CA C 25 53.760 53.760 54.704 -0.944 19510 1698 1 4 . 1 1 25 25 ALA CB C 25 16.827 16.827 18.765 -1.938 19510 1699 1 4 . 1 1 25 25 ALA H H 25 8.841 8.841 8.204 0.637 19510 1700 1 4 . 1 1 26 26 GLU N N 26 122.239 122.239 120.228 2.011 19510 1701 1 4 . 1 1 26 26 GLU HA H 26 4.083 4.083 3.988 0.095 19510 1702 1 4 . 1 1 26 26 GLU C C 26 177.265 177.265 178.466 -1.201 19510 1703 1 4 . 1 1 26 26 GLU CA C 26 57.850 57.850 59.287 -1.437 19510 1704 1 4 . 1 1 26 26 GLU CB C 26 28.891 28.891 29.471 -0.580 19510 1705 1 4 . 1 1 26 26 GLU H H 26 8.482 8.482 8.253 0.229 19510 1706 1 4 . 1 1 27 27 ALA N N 27 122.124 122.124 120.036 2.088 19510 1707 1 4 . 1 1 27 27 ALA HA H 27 4.352 4.352 4.329 0.023 19510 1708 1 4 . 1 1 27 27 ALA C C 27 180.552 180.552 179.080 1.472 19510 1709 1 4 . 1 1 27 27 ALA CA C 27 53.519 53.519 53.405 0.114 19510 1710 1 4 . 1 1 27 27 ALA CB C 27 16.410 16.410 18.414 -2.004 19510 1711 1 4 . 1 1 27 27 ALA H H 27 8.043 8.043 7.594 0.449 19510 1712 1 4 . 1 1 28 28 ARG N N 28 120.375 120.375 118.357 2.018 19510 1713 1 4 . 1 1 28 28 ARG HA H 28 4.441 4.441 4.251 0.190 19510 1714 1 4 . 1 1 28 28 ARG C C 28 176.309 176.309 177.927 -1.618 19510 1715 1 4 . 1 1 28 28 ARG CA C 28 55.369 55.369 57.156 -1.787 19510 1716 1 4 . 1 1 28 28 ARG CB C 28 28.480 28.480 30.013 -1.533 19510 1717 1 4 . 1 1 28 28 ARG H H 28 8.101 8.101 7.851 0.250 19510 1718 1 4 . 1 1 29 29 ARG N N 29 122.734 122.734 119.141 3.593 19510 1719 1 4 . 1 1 29 29 ARG HA H 29 3.743 3.743 3.993 -0.250 19510 1720 1 4 . 1 1 29 29 ARG CA C 29 58.672 58.672 60.187 -1.515 19510 1721 1 4 . 1 1 29 29 ARG CB C 29 29.051 29.051 29.901 -0.850 19510 1722 1 4 . 1 1 29 29 ARG H H 29 8.901 8.901 7.955 0.946 19510 1723 1 4 . 1 1 30 30 ASN N N 30 119.961 119.961 113.946 6.015 19510 1724 1 4 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.675 -0.041 19510 1725 1 4 . 1 1 30 30 ASN C C 30 175.888 175.888 177.193 -1.305 19510 1726 1 4 . 1 1 30 30 ASN CA C 30 55.147 55.147 54.578 0.569 19510 1727 1 4 . 1 1 30 30 ASN CB C 30 35.418 35.418 38.965 -3.547 19510 1728 1 4 . 1 1 30 30 ASN H H 30 8.429 8.429 8.243 0.186 19510 1729 1 4 . 1 1 31 31 ARG N N 31 123.400 123.400 122.658 0.742 19510 1730 1 4 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.149 0.133 19510 1731 1 4 . 1 1 31 31 ARG C C 31 177.804 177.804 178.443 -0.639 19510 1732 1 4 . 1 1 31 31 ARG CA C 31 58.132 58.132 58.964 -0.832 19510 1733 1 4 . 1 1 31 31 ARG CB C 31 27.636 27.636 29.797 -2.161 19510 1734 1 4 . 1 1 31 31 ARG H H 31 8.052 8.052 8.106 -0.054 19510 1735 1 4 . 1 1 32 32 LEU N N 32 119.872 119.872 115.726 4.146 19510 1736 1 4 . 1 1 32 32 LEU HA H 32 4.318 4.318 4.618 -0.300 19510 1737 1 4 . 1 1 32 32 LEU C C 32 180.602 180.602 178.061 2.541 19510 1738 1 4 . 1 1 32 32 LEU CA C 32 56.471 56.471 56.216 0.255 19510 1739 1 4 . 1 1 32 32 LEU CB C 32 40.558 40.558 41.482 -0.924 19510 1740 1 4 . 1 1 32 32 LEU H H 32 8.752 8.752 7.523 1.229 19510 1741 1 4 . 1 1 33 33 LEU N N 33 124.468 124.468 121.224 3.244 19510 1742 1 4 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.364 -0.063 19510 1743 1 4 . 1 1 33 33 LEU C C 33 177.992 177.992 178.505 -0.513 19510 1744 1 4 . 1 1 33 33 LEU CA C 33 56.482 56.482 57.164 -0.682 19510 1745 1 4 . 1 1 33 33 LEU CB C 33 41.626 41.626 41.751 -0.125 19510 1746 1 4 . 1 1 33 33 LEU H H 33 9.273 9.273 7.985 1.288 19510 1747 1 4 . 1 1 34 34 GLY N N 34 109.045 109.045 106.627 2.418 19510 1748 1 4 . 1 1 34 34 GLY C C 34 174.530 174.530 175.897 -1.367 19510 1749 1 4 . 1 1 34 34 GLY CA C 34 45.447 45.447 47.338 -1.891 19510 1750 1 4 . 1 1 34 34 GLY H H 34 8.907 8.907 7.978 0.929 19510 1751 1 4 . 1 1 35 35 GLU N N 35 123.414 123.414 120.921 2.493 19510 1752 1 4 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.188 -0.011 19510 1753 1 4 . 1 1 35 35 GLU C C 35 178.866 178.866 178.848 0.018 19510 1754 1 4 . 1 1 35 35 GLU CA C 35 59.564 59.564 58.389 1.175 19510 1755 1 4 . 1 1 35 35 GLU CB C 35 27.692 27.692 29.621 -1.929 19510 1756 1 4 . 1 1 35 35 GLU H H 35 8.935 8.935 8.335 0.600 19510 1757 1 4 . 1 1 36 36 TRP N N 36 124.774 124.774 121.969 2.805 19510 1758 1 4 . 1 1 36 36 TRP HA H 36 4.604 4.604 4.339 0.265 19510 1759 1 4 . 1 1 36 36 TRP C C 36 177.618 177.618 177.696 -0.078 19510 1760 1 4 . 1 1 36 36 TRP CA C 36 58.867 58.867 60.153 -1.286 19510 1761 1 4 . 1 1 36 36 TRP CB C 36 26.021 26.021 29.297 -3.276 19510 1762 1 4 . 1 1 36 36 TRP H H 36 8.531 8.531 7.439 1.092 19510 1763 1 4 . 1 1 37 37 ALA N N 37 123.777 123.777 121.361 2.416 19510 1764 1 4 . 1 1 37 37 ALA HA H 37 3.403 3.403 3.177 0.226 19510 1765 1 4 . 1 1 37 37 ALA C C 37 177.427 177.427 179.079 -1.652 19510 1766 1 4 . 1 1 37 37 ALA CA C 37 53.148 53.148 54.446 -1.298 19510 1767 1 4 . 1 1 37 37 ALA CB C 37 18.440 18.440 17.769 0.671 19510 1768 1 4 . 1 1 37 37 ALA H H 37 9.141 9.141 7.692 1.449 19510 1769 1 4 . 1 1 38 38 ALA N N 38 119.259 119.259 121.467 -2.208 19510 1770 1 4 . 1 1 38 38 ALA HA H 38 3.523 3.523 3.466 0.057 19510 1771 1 4 . 1 1 38 38 ALA C C 38 178.670 178.670 179.367 -0.697 19510 1772 1 4 . 1 1 38 38 ALA CA C 38 53.882 53.882 55.325 -1.443 19510 1773 1 4 . 1 1 38 38 ALA CB C 38 17.083 17.083 18.114 -1.031 19510 1774 1 4 . 1 1 38 38 ALA H H 38 8.788 8.788 8.630 0.158 19510 1775 1 4 . 1 1 39 39 GLY N N 39 104.011 104.011 106.508 -2.497 19510 1776 1 4 . 1 1 39 39 GLY C C 39 177.232 177.232 176.145 1.087 19510 1777 1 4 . 1 1 39 39 GLY CA C 39 45.519 45.519 46.961 -1.442 19510 1778 1 4 . 1 1 39 39 GLY H H 39 7.756 7.756 7.962 -0.206 19510 1779 1 4 . 1 1 40 40 LEU N N 40 125.340 125.340 122.065 3.275 19510 1780 1 4 . 1 1 40 40 LEU HA H 40 4.111 4.111 3.961 0.150 19510 1781 1 4 . 1 1 40 40 LEU C C 40 178.203 178.203 178.910 -0.707 19510 1782 1 4 . 1 1 40 40 LEU CA C 40 56.123 56.123 57.312 -1.189 19510 1783 1 4 . 1 1 40 40 LEU CB C 40 40.764 40.764 41.326 -0.562 19510 1784 1 4 . 1 1 40 40 LEU H H 40 7.511 7.511 7.233 0.278 19510 1785 1 4 . 1 1 41 41 LEU N N 41 117.234 117.234 116.836 0.398 19510 1786 1 4 . 1 1 41 41 LEU HA H 41 4.139 4.139 3.934 0.205 19510 1787 1 4 . 1 1 41 41 LEU C C 41 176.119 176.119 177.923 -1.804 19510 1788 1 4 . 1 1 41 41 LEU CA C 41 53.213 53.213 56.852 -3.639 19510 1789 1 4 . 1 1 41 41 LEU CB C 41 41.092 41.092 42.132 -1.040 19510 1790 1 4 . 1 1 41 41 LEU H H 41 7.692 7.692 8.282 -0.590 19510 1791 1 4 . 1 1 42 42 GLY N N 42 109.595 109.595 104.978 4.617 19510 1792 1 4 . 1 1 42 42 GLY C C 42 173.775 173.775 174.140 -0.365 19510 1793 1 4 . 1 1 42 42 GLY CA C 42 44.409 44.409 44.614 -0.205 19510 1794 1 4 . 1 1 42 42 GLY H H 42 7.896 7.896 7.775 0.121 19510 1795 1 4 . 1 1 43 43 LYS N N 43 119.965 119.965 121.731 -1.766 19510 1796 1 4 . 1 1 43 43 LYS HA H 43 4.737 4.737 4.399 0.338 19510 1797 1 4 . 1 1 43 43 LYS C C 43 175.246 175.246 175.356 -0.110 19510 1798 1 4 . 1 1 43 43 LYS CA C 43 54.189 54.189 55.784 -1.595 19510 1799 1 4 . 1 1 43 43 LYS CB C 43 33.208 33.208 33.754 -0.546 19510 1800 1 4 . 1 1 43 43 LYS H H 43 8.104 8.104 8.013 0.091 19510 1801 1 4 . 1 1 44 44 THR N N 44 114.199 114.199 114.664 -0.465 19510 1802 1 4 . 1 1 44 44 THR HA H 44 4.773 4.773 4.582 0.191 19510 1803 1 4 . 1 1 44 44 THR C C 44 174.392 174.392 174.999 -0.607 19510 1804 1 4 . 1 1 44 44 THR CA C 44 58.348 58.348 60.382 -2.034 19510 1805 1 4 . 1 1 44 44 THR CB C 44 70.921 70.921 71.560 -0.639 19510 1806 1 4 . 1 1 44 44 THR H H 44 8.958 8.958 8.146 0.812 19510 1807 1 4 . 1 1 45 45 GLY N N 45 109.657 109.657 111.091 -1.434 19510 1808 1 4 . 1 1 45 45 GLY C C 45 175.330 175.330 175.223 0.107 19510 1809 1 4 . 1 1 45 45 GLY CA C 45 45.315 45.315 45.754 -0.439 19510 1810 1 4 . 1 1 45 45 GLY H H 45 8.885 8.885 8.432 0.453 19510 1811 1 4 . 1 1 46 46 ASP N N 46 128.403 128.403 124.903 3.500 19510 1812 1 4 . 1 1 46 46 ASP HA H 46 4.561 4.561 4.509 0.052 19510 1813 1 4 . 1 1 46 46 ASP C C 46 177.343 177.343 177.797 -0.454 19510 1814 1 4 . 1 1 46 46 ASP CA C 46 55.829 55.829 56.842 -1.013 19510 1815 1 4 . 1 1 46 46 ASP CB C 46 39.039 39.039 40.662 -1.623 19510 1816 1 4 . 1 1 46 46 ASP H H 46 9.318 9.318 8.705 0.613 19510 1817 1 4 . 1 1 47 47 ASP N N 47 121.367 121.367 120.034 1.333 19510 1818 1 4 . 1 1 47 47 ASP HA H 47 4.668 4.668 4.393 0.275 19510 1819 1 4 . 1 1 47 47 ASP CA C 47 55.545 55.545 57.368 -1.823 19510 1820 1 4 . 1 1 47 47 ASP CB C 47 39.415 39.415 39.984 -0.569 19510 1821 1 4 . 1 1 47 47 ASP H H 47 8.521 8.521 7.873 0.648 19510 1822 1 4 . 1 1 48 48 ALA N N 48 123.210 123.210 122.009 1.201 19510 1823 1 4 . 1 1 48 48 ALA HA H 48 3.940 3.940 4.066 -0.126 19510 1824 1 4 . 1 1 48 48 ALA CA C 48 53.331 53.331 54.892 -1.561 19510 1825 1 4 . 1 1 48 48 ALA CB C 48 16.036 16.036 18.671 -2.635 19510 1826 1 4 . 1 1 48 48 ALA H H 48 7.262 7.262 7.543 -0.281 19510 1827 1 4 . 1 1 49 49 ARG N N 49 120.088 120.088 119.608 0.480 19510 1828 1 4 . 1 1 49 49 ARG HA H 49 4.126 4.126 4.020 0.106 19510 1829 1 4 . 1 1 49 49 ARG CA C 49 57.876 57.876 59.262 -1.386 19510 1830 1 4 . 1 1 49 49 ARG CB C 49 28.774 28.774 30.416 -1.642 19510 1831 1 4 . 1 1 49 49 ARG H H 49 7.805 7.805 8.163 -0.358 19510 1832 1 4 . 1 1 50 50 ALA N N 50 121.061 121.061 119.816 1.245 19510 1833 1 4 . 1 1 50 50 ALA HA H 50 4.218 4.218 4.136 0.082 19510 1834 1 4 . 1 1 50 50 ALA CA C 50 53.399 53.399 54.761 -1.362 19510 1835 1 4 . 1 1 50 50 ALA CB C 50 16.672 16.672 18.333 -1.661 19510 1836 1 4 . 1 1 50 50 ALA H H 50 8.387 8.387 8.223 0.164 19510 1837 1 4 . 1 1 51 51 TYR N N 51 119.264 119.264 120.931 -1.667 19510 1838 1 4 . 1 1 51 51 TYR HA H 51 4.231 4.231 4.088 0.143 19510 1839 1 4 . 1 1 51 51 TYR C C 51 178.335 178.335 177.292 1.043 19510 1840 1 4 . 1 1 51 51 TYR CA C 51 60.493 60.493 61.033 -0.540 19510 1841 1 4 . 1 1 51 51 TYR CB C 51 37.094 37.094 38.389 -1.295 19510 1842 1 4 . 1 1 51 51 TYR H H 51 8.095 8.095 8.056 0.039 19510 1843 1 4 . 1 1 52 52 ALA N N 52 124.002 124.002 119.770 4.232 19510 1844 1 4 . 1 1 52 52 ALA HA H 52 3.899 3.899 4.110 -0.211 19510 1845 1 4 . 1 1 52 52 ALA C C 52 178.352 178.352 178.335 0.017 19510 1846 1 4 . 1 1 52 52 ALA CA C 52 54.394 54.394 53.243 1.151 19510 1847 1 4 . 1 1 52 52 ALA CB C 52 16.369 16.369 18.306 -1.937 19510 1848 1 4 . 1 1 52 52 ALA H H 52 8.651 8.651 7.904 0.747 19510 1849 1 4 . 1 1 53 53 LEU N N 53 116.593 116.593 117.096 -0.503 19510 1850 1 4 . 1 1 53 53 LEU HA H 53 4.301 4.301 4.359 -0.058 19510 1851 1 4 . 1 1 53 53 LEU C C 53 177.452 177.452 177.522 -0.070 19510 1852 1 4 . 1 1 53 53 LEU CA C 53 55.412 55.412 55.675 -0.263 19510 1853 1 4 . 1 1 53 53 LEU CB C 53 40.510 40.510 41.817 -1.307 19510 1854 1 4 . 1 1 53 53 LEU H H 53 7.664 7.664 7.679 -0.015 19510 1855 1 4 . 1 1 54 54 THR N N 54 110.998 110.998 114.657 -3.659 19510 1856 1 4 . 1 1 54 54 THR HA H 54 4.401 4.401 4.491 -0.090 19510 1857 1 4 . 1 1 54 54 THR CA C 54 61.997 61.997 62.121 -0.124 19510 1858 1 4 . 1 1 54 54 THR CB C 54 67.988 67.988 68.743 -0.755 19510 1859 1 4 . 1 1 54 54 THR H H 54 7.962 7.962 7.463 0.499 19510 1860 1 4 . 1 1 55 55 VAL N N 55 123.907 123.907 123.312 0.595 19510 1861 1 4 . 1 1 55 55 VAL HA H 55 3.869 3.869 4.354 -0.485 19510 1862 1 4 . 1 1 55 55 VAL CA C 55 62.373 62.373 62.019 0.354 19510 1863 1 4 . 1 1 55 55 VAL CB C 55 29.037 29.037 33.057 -4.020 19510 1864 1 4 . 1 1 55 55 VAL H H 55 7.217 7.217 7.915 -0.698 19510 1865 1 4 . 1 1 56 56 VAL N N 56 119.176 119.176 128.731 -9.555 19510 1866 1 4 . 1 1 56 56 VAL HA H 56 4.300 4.300 4.550 -0.250 19510 1867 1 4 . 1 1 56 56 VAL CA C 56 55.363 55.363 62.567 -7.204 19510 1868 1 4 . 1 1 56 56 VAL CB C 56 32.466 32.466 32.859 -0.393 19510 1869 1 4 . 1 1 56 56 VAL H H 56 7.474 7.474 8.296 -0.822 19510 1870 1 4 . 1 1 57 57 THR N N 57 114.951 114.951 123.959 -9.008 19510 1871 1 4 . 1 1 57 57 THR HA H 57 4.509 4.509 4.556 -0.047 19510 1872 1 4 . 1 1 57 57 THR CA C 57 60.698 60.698 61.758 -1.060 19510 1873 1 4 . 1 1 57 57 THR CB C 57 68.177 68.177 68.701 -0.524 19510 1874 1 4 . 1 1 57 57 THR H H 57 7.992 7.992 8.678 -0.686 19510 1875 1 4 . 1 1 58 58 SER N N 58 119.820 119.820 116.614 3.206 19510 1876 1 4 . 1 1 58 58 SER HA H 58 4.554 4.554 4.122 0.432 19510 1877 1 4 . 1 1 58 58 SER CA C 58 57.409 57.409 60.304 -2.895 19510 1878 1 4 . 1 1 58 58 SER CB C 58 62.399 62.399 63.365 -0.966 19510 1879 1 4 . 1 1 58 58 SER H H 58 8.473 8.473 8.160 0.313 19510 1880 1 4 . 1 1 59 59 ASP N N 59 122.199 122.199 117.613 4.586 19510 1881 1 4 . 1 1 59 59 ASP HA H 59 4.762 4.762 4.763 -0.001 19510 1882 1 4 . 1 1 59 59 ASP C C 59 175.459 175.459 175.247 0.212 19510 1883 1 4 . 1 1 59 59 ASP CA C 59 52.469 52.469 52.290 0.179 19510 1884 1 4 . 1 1 59 59 ASP CB C 59 39.455 39.455 42.324 -2.869 19510 1885 1 4 . 1 1 59 59 ASP H H 59 8.285 8.285 8.234 0.051 19510 1886 1 4 . 1 1 60 60 PHE HA H 60 4.182 4.182 4.412 -0.230 19510 1887 1 4 . 1 1 60 60 PHE CA C 60 59.253 59.253 59.611 -0.358 19510 1888 1 4 . 1 1 60 60 PHE CB C 60 35.163 35.163 39.090 -3.926 19510 1889 1 4 . 1 1 63 63 PRO HA H 63 4.606 4.606 4.584 0.022 19510 1890 1 4 . 1 1 63 63 PRO CA C 63 55.716 55.716 63.136 -7.420 19510 1891 1 4 . 1 1 63 63 PRO CB C 63 30.732 30.732 30.525 0.207 19510 1892 1 4 . 1 1 64 64 GLY N N 64 110.382 110.382 110.437 -0.055 19510 1893 1 4 . 1 1 64 64 GLY CA C 64 44.280 44.280 45.599 -1.319 19510 1894 1 4 . 1 1 64 64 GLY H H 64 8.706 8.706 7.875 0.831 19510 1895 1 4 . 1 1 65 65 ASP N N 65 121.977 121.977 121.669 0.308 19510 1896 1 4 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.492 0.171 19510 1897 1 4 . 1 1 65 65 ASP CA C 65 55.765 55.765 56.134 -0.369 19510 1898 1 4 . 1 1 65 65 ASP CB C 65 39.579 39.579 41.659 -2.080 19510 1899 1 4 . 1 1 65 65 ASP H H 65 8.661 8.661 8.264 0.397 19510 1900 1 4 . 1 1 66 66 GLU N N 66 120.065 120.065 116.828 3.237 19510 1901 1 4 . 1 1 66 66 GLU HA H 66 4.437 4.437 3.835 0.602 19510 1902 1 4 . 1 1 66 66 GLU CA C 66 57.520 57.520 57.772 -0.252 19510 1903 1 4 . 1 1 66 66 GLU CB C 66 27.598 27.598 28.209 -0.611 19510 1904 1 4 . 1 1 66 66 GLU H H 66 8.643 8.643 8.698 -0.055 19510 1905 1 4 . 1 1 67 67 ASP N N 67 120.033 120.033 119.490 0.543 19510 1906 1 4 . 1 1 67 67 ASP HA H 67 4.609 4.609 4.291 0.318 19510 1907 1 4 . 1 1 67 67 ASP CA C 67 55.601 55.601 56.891 -1.290 19510 1908 1 4 . 1 1 67 67 ASP CB C 67 39.106 39.106 40.339 -1.233 19510 1909 1 4 . 1 1 67 67 ASP H H 67 8.272 8.272 8.432 -0.160 19510 1910 1 4 . 1 1 68 68 VAL N N 68 123.206 123.206 118.865 4.341 19510 1911 1 4 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.513 0.304 19510 1912 1 4 . 1 1 68 68 VAL CA C 68 65.715 65.715 66.047 -0.332 19510 1913 1 4 . 1 1 68 68 VAL CB C 68 30.705 30.705 31.588 -0.883 19510 1914 1 4 . 1 1 68 68 VAL H H 68 8.045 8.045 7.959 0.086 19510 1915 1 4 . 1 1 69 69 PHE N N 69 120.600 120.600 120.300 0.300 19510 1916 1 4 . 1 1 69 69 PHE HA H 69 4.158 4.158 4.071 0.087 19510 1917 1 4 . 1 1 69 69 PHE CA C 69 61.013 61.013 61.134 -0.121 19510 1918 1 4 . 1 1 69 69 PHE CB C 69 37.455 37.455 38.926 -1.471 19510 1919 1 4 . 1 1 69 69 PHE H H 69 8.488 8.488 7.389 1.099 19510 1920 1 4 . 1 1 70 70 ARG N N 70 117.820 117.820 119.738 -1.918 19510 1921 1 4 . 1 1 70 70 ARG HA H 70 3.755 3.755 4.069 -0.314 19510 1922 1 4 . 1 1 70 70 ARG C C 70 178.813 178.813 177.381 1.432 19510 1923 1 4 . 1 1 70 70 ARG CA C 70 58.184 58.184 58.314 -0.130 19510 1924 1 4 . 1 1 70 70 ARG CB C 70 28.899 28.899 29.801 -0.902 19510 1925 1 4 . 1 1 70 70 ARG H H 70 8.611 8.611 8.441 0.170 19510 1926 1 4 . 1 1 71 71 LYS N N 71 121.726 121.726 117.891 3.835 19510 1927 1 4 . 1 1 71 71 LYS HA H 71 4.253 4.253 4.264 -0.011 19510 1928 1 4 . 1 1 71 71 LYS C C 71 177.020 177.020 177.718 -0.698 19510 1929 1 4 . 1 1 71 71 LYS CA C 71 58.490 58.490 57.033 1.457 19510 1930 1 4 . 1 1 71 71 LYS CB C 71 31.216 31.216 32.770 -1.554 19510 1931 1 4 . 1 1 71 71 LYS H H 71 7.686 7.686 7.647 0.039 19510 1932 1 4 . 1 1 72 72 LEU N N 72 119.355 119.355 122.581 -3.226 19510 1933 1 4 . 1 1 72 72 LEU HA H 72 4.051 4.051 4.020 0.031 19510 1934 1 4 . 1 1 72 72 LEU C C 72 177.378 177.378 178.003 -0.625 19510 1935 1 4 . 1 1 72 72 LEU CA C 72 56.317 56.317 58.069 -1.752 19510 1936 1 4 . 1 1 72 72 LEU CB C 72 41.148 41.148 41.291 -0.143 19510 1937 1 4 . 1 1 72 72 LEU H H 72 8.215 8.215 8.603 -0.388 19510 1938 1 4 . 1 1 73 73 ALA N N 73 121.106 121.106 118.554 2.552 19510 1939 1 4 . 1 1 73 73 ALA HA H 73 3.767 3.767 3.902 -0.135 19510 1940 1 4 . 1 1 73 73 ALA C C 73 179.644 179.644 178.259 1.385 19510 1941 1 4 . 1 1 73 73 ALA CA C 73 53.263 53.263 53.691 -0.428 19510 1942 1 4 . 1 1 73 73 ALA CB C 73 15.930 15.930 17.434 -1.504 19510 1943 1 4 . 1 1 73 73 ALA H H 73 9.143 9.143 7.860 1.283 19510 1944 1 4 . 1 1 74 74 ALA N N 74 119.383 119.383 121.724 -2.341 19510 1945 1 4 . 1 1 74 74 ALA HA H 74 4.384 4.384 4.126 0.258 19510 1946 1 4 . 1 1 74 74 ALA C C 74 179.752 179.752 179.887 -0.135 19510 1947 1 4 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.194 -0.670 19510 1948 1 4 . 1 1 74 74 ALA CB C 74 17.094 17.094 18.812 -1.718 19510 1949 1 4 . 1 1 74 74 ALA H H 74 7.403 7.403 7.402 0.001 19510 1950 1 4 . 1 1 75 75 ASP N N 75 120.226 120.226 120.710 -0.484 19510 1951 1 4 . 1 1 75 75 ASP HA H 75 4.523 4.523 4.352 0.171 19510 1952 1 4 . 1 1 75 75 ASP C C 75 177.704 177.704 177.611 0.093 19510 1953 1 4 . 1 1 75 75 ASP CA C 75 55.312 55.312 57.325 -2.013 19510 1954 1 4 . 1 1 75 75 ASP CB C 75 38.326 38.326 41.096 -2.770 19510 1955 1 4 . 1 1 75 75 ASP H H 75 8.536 8.536 8.107 0.429 19510 1956 1 4 . 1 1 76 76 LEU N N 76 115.468 115.468 117.185 -1.717 19510 1957 1 4 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.444 -0.052 19510 1958 1 4 . 1 1 76 76 LEU C C 76 174.790 174.790 175.461 -0.671 19510 1959 1 4 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.221 -0.597 19510 1960 1 4 . 1 1 76 76 LEU CB C 76 39.594 39.594 42.594 -3.000 19510 1961 1 4 . 1 1 76 76 LEU H H 76 8.612 8.612 8.012 0.600 19510 1962 1 4 . 1 1 77 77 GLU N N 77 124.725 124.725 121.816 2.909 19510 1963 1 4 . 1 1 77 77 GLU HA H 77 4.343 4.343 3.999 0.344 19510 1964 1 4 . 1 1 77 77 GLU C C 77 176.953 176.953 177.313 -0.360 19510 1965 1 4 . 1 1 77 77 GLU CA C 77 57.345 57.345 58.302 -0.957 19510 1966 1 4 . 1 1 77 77 GLU CB C 77 27.555 27.555 29.531 -1.976 19510 1967 1 4 . 1 1 77 77 GLU H H 77 7.158 7.158 7.312 -0.154 19510 1968 1 4 . 1 1 78 78 GLY N N 78 118.105 118.105 114.305 3.800 19510 1969 1 4 . 1 1 78 78 GLY C C 78 173.075 173.075 174.753 -1.678 19510 1970 1 4 . 1 1 78 78 GLY CA C 78 44.269 44.269 45.330 -1.060 19510 1971 1 4 . 1 1 78 78 GLY H H 78 9.392 9.392 8.762 0.630 19510 1972 1 4 . 1 1 79 79 LYS N N 79 120.237 120.237 119.038 1.199 19510 1973 1 4 . 1 1 79 79 LYS HA H 79 4.663 4.663 4.531 0.132 19510 1974 1 4 . 1 1 79 79 LYS C C 79 175.050 175.050 174.770 0.280 19510 1975 1 4 . 1 1 79 79 LYS CA C 79 54.683 54.683 55.715 -1.032 19510 1976 1 4 . 1 1 79 79 LYS CB C 79 33.435 33.435 33.520 -0.085 19510 1977 1 4 . 1 1 79 79 LYS H H 79 8.809 8.809 8.178 0.631 19510 1978 1 4 . 1 1 80 80 ALA N N 80 121.135 121.135 120.780 0.355 19510 1979 1 4 . 1 1 80 80 ALA HA H 80 4.893 4.893 4.706 0.187 19510 1980 1 4 . 1 1 80 80 ALA C C 80 174.051 174.051 174.370 -0.319 19510 1981 1 4 . 1 1 80 80 ALA CA C 80 50.289 50.289 51.447 -1.158 19510 1982 1 4 . 1 1 80 80 ALA CB C 80 20.483 20.483 21.109 -0.626 19510 1983 1 4 . 1 1 80 80 ALA H H 80 8.169 8.169 7.583 0.586 19510 1984 1 4 . 1 1 81 81 ASP N N 81 121.569 121.569 117.936 3.633 19510 1985 1 4 . 1 1 81 81 ASP HA H 81 4.898 4.898 5.027 -0.129 19510 1986 1 4 . 1 1 81 81 ASP CA C 81 50.397 50.397 53.418 -3.021 19510 1987 1 4 . 1 1 81 81 ASP CB C 81 40.401 40.401 44.008 -3.607 19510 1988 1 4 . 1 1 81 81 ASP H H 81 8.330 8.330 8.359 -0.029 19510 1989 1 4 . 1 1 82 82 GLU N N 82 119.843 119.843 121.282 -1.439 19510 1990 1 4 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.244 -0.059 19510 1991 1 4 . 1 1 82 82 GLU C C 82 177.350 177.350 178.565 -1.215 19510 1992 1 4 . 1 1 82 82 GLU CA C 82 59.676 59.676 60.617 -0.941 19510 1993 1 4 . 1 1 82 82 GLU CB C 82 27.893 27.893 29.826 -1.933 19510 1994 1 4 . 1 1 82 82 GLU H H 82 8.923 8.923 8.883 0.040 19510 1995 1 4 . 1 1 83 83 GLU N N 83 119.348 119.348 118.585 0.763 19510 1996 1 4 . 1 1 83 83 GLU HA H 83 4.177 4.177 4.173 0.004 19510 1997 1 4 . 1 1 83 83 GLU C C 83 178.794 178.794 178.727 0.067 19510 1998 1 4 . 1 1 83 83 GLU CA C 83 59.082 59.082 59.575 -0.493 19510 1999 1 4 . 1 1 83 83 GLU CB C 83 28.879 28.879 28.749 0.130 19510 2000 1 4 . 1 1 83 83 GLU H H 83 8.832 8.832 8.709 0.123 19510 2001 1 4 . 1 1 84 84 THR N N 84 119.892 119.892 116.730 3.162 19510 2002 1 4 . 1 1 84 84 THR HA H 84 4.140 4.140 4.047 0.093 19510 2003 1 4 . 1 1 84 84 THR C C 84 176.165 176.165 176.891 -0.726 19510 2004 1 4 . 1 1 84 84 THR CA C 84 65.721 65.721 66.227 -0.506 19510 2005 1 4 . 1 1 84 84 THR CB C 84 66.751 66.751 68.489 -1.738 19510 2006 1 4 . 1 1 84 84 THR H H 84 8.576 8.576 8.095 0.481 19510 2007 1 4 . 1 1 85 85 ILE N N 85 123.655 123.655 121.512 2.143 19510 2008 1 4 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.860 -0.041 19510 2009 1 4 . 1 1 85 85 ILE C C 85 174.809 174.809 177.582 -2.773 19510 2010 1 4 . 1 1 85 85 ILE CA C 85 64.891 64.891 65.832 -0.941 19510 2011 1 4 . 1 1 85 85 ILE CB C 85 37.797 37.797 38.055 -0.258 19510 2012 1 4 . 1 1 85 85 ILE H H 85 8.572 8.572 8.899 -0.327 19510 2013 1 4 . 1 1 86 86 ARG N N 86 119.670 119.670 120.268 -0.598 19510 2014 1 4 . 1 1 86 86 ARG HA H 86 4.186 4.186 4.374 -0.188 19510 2015 1 4 . 1 1 86 86 ARG CA C 86 58.766 58.766 59.335 -0.569 19510 2016 1 4 . 1 1 86 86 ARG CB C 86 28.165 28.165 29.300 -1.135 19510 2017 1 4 . 1 1 86 86 ARG H H 86 9.092 9.092 8.060 1.032 19510 2018 1 4 . 1 1 87 87 ALA N N 87 121.431 121.431 122.716 -1.285 19510 2019 1 4 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.020 0.287 19510 2020 1 4 . 1 1 87 87 ALA CA C 87 53.558 53.558 54.961 -1.403 19510 2021 1 4 . 1 1 87 87 ALA CB C 87 16.382 16.382 18.108 -1.726 19510 2022 1 4 . 1 1 87 87 ALA H H 87 8.242 8.242 8.555 -0.313 19510 2023 1 4 . 1 1 88 88 LYS N N 88 122.742 122.742 119.251 3.491 19510 2024 1 4 . 1 1 88 88 LYS HA H 88 4.011 4.011 4.061 -0.050 19510 2025 1 4 . 1 1 88 88 LYS CA C 88 55.172 55.172 59.449 -4.277 19510 2026 1 4 . 1 1 88 88 LYS CB C 88 29.078 29.078 31.898 -2.820 19510 2027 1 4 . 1 1 88 88 LYS H H 88 8.182 8.182 8.142 0.040 19510 2028 1 4 . 1 1 89 89 MET N N 89 118.686 118.686 117.662 1.024 19510 2029 1 4 . 1 1 89 89 MET HA H 89 3.854 3.854 4.231 -0.377 19510 2030 1 4 . 1 1 89 89 MET CA C 89 59.175 59.175 58.776 0.398 19510 2031 1 4 . 1 1 89 89 MET CB C 89 31.697 31.697 32.520 -0.824 19510 2032 1 4 . 1 1 89 89 MET H H 89 8.504 8.504 7.736 0.768 19510 2033 1 4 . 1 1 90 90 VAL N N 90 120.987 120.987 121.382 -0.395 19510 2034 1 4 . 1 1 90 90 VAL HA H 90 3.853 3.853 3.715 0.138 19510 2035 1 4 . 1 1 90 90 VAL C C 90 178.017 178.017 178.086 -0.069 19510 2036 1 4 . 1 1 90 90 VAL CA C 90 64.868 64.868 67.031 -2.163 19510 2037 1 4 . 1 1 90 90 VAL CB C 90 31.054 31.054 31.566 -0.511 19510 2038 1 4 . 1 1 90 90 VAL H H 90 7.573 7.573 7.570 0.003 19510 2039 1 4 . 1 1 91 91 GLU N N 91 124.236 124.236 121.387 2.849 19510 2040 1 4 . 1 1 91 91 GLU HA H 91 3.802 3.802 4.027 -0.225 19510 2041 1 4 . 1 1 91 91 GLU C C 91 177.612 177.612 179.242 -1.630 19510 2042 1 4 . 1 1 91 91 GLU CA C 91 58.414 58.414 59.378 -0.964 19510 2043 1 4 . 1 1 91 91 GLU CB C 91 30.606 30.606 29.117 1.489 19510 2044 1 4 . 1 1 91 91 GLU H H 91 8.494 8.494 8.538 -0.044 19510 2045 1 4 . 1 1 92 92 LEU N N 92 114.818 114.818 119.584 -4.766 19510 2046 1 4 . 1 1 92 92 LEU HA H 92 4.336 4.336 4.264 0.072 19510 2047 1 4 . 1 1 92 92 LEU C C 92 177.928 177.928 178.136 -0.208 19510 2048 1 4 . 1 1 92 92 LEU CA C 92 56.351 56.351 55.447 0.904 19510 2049 1 4 . 1 1 92 92 LEU CB C 92 39.780 39.780 41.049 -1.269 19510 2050 1 4 . 1 1 92 92 LEU H H 92 8.833 8.833 7.427 1.406 19510 2051 1 4 . 1 1 93 93 ARG N N 93 123.398 123.398 120.933 2.465 19510 2052 1 4 . 1 1 93 93 ARG HA H 93 3.997 3.997 3.813 0.184 19510 2053 1 4 . 1 1 93 93 ARG C C 93 176.350 176.350 177.568 -1.218 19510 2054 1 4 . 1 1 93 93 ARG CA C 93 58.848 58.848 59.560 -0.712 19510 2055 1 4 . 1 1 93 93 ARG CB C 93 28.592 28.592 30.131 -1.540 19510 2056 1 4 . 1 1 93 93 ARG H H 93 7.746 7.746 7.968 -0.222 19510 2057 1 4 . 1 1 94 94 ALA N N 94 122.480 122.480 119.403 3.077 19510 2058 1 4 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.071 0.190 19510 2059 1 4 . 1 1 94 94 ALA C C 94 179.805 179.805 179.619 0.186 19510 2060 1 4 . 1 1 94 94 ALA CA C 94 54.529 54.529 54.634 -0.105 19510 2061 1 4 . 1 1 94 94 ALA CB C 94 16.423 16.423 18.270 -1.847 19510 2062 1 4 . 1 1 94 94 ALA H H 94 7.322 7.322 7.754 -0.432 19510 2063 1 4 . 1 1 95 95 THR N N 95 116.936 116.936 116.470 0.466 19510 2064 1 4 . 1 1 95 95 THR HA H 95 4.045 4.045 3.846 0.199 19510 2065 1 4 . 1 1 95 95 THR C C 95 175.007 175.007 176.404 -1.397 19510 2066 1 4 . 1 1 95 95 THR CA C 95 64.868 64.868 66.384 -1.516 19510 2067 1 4 . 1 1 95 95 THR CB C 95 67.633 67.633 68.527 -0.894 19510 2068 1 4 . 1 1 95 95 THR H H 95 8.275 8.275 8.235 0.040 19510 2069 1 4 . 1 1 96 96 ALA N N 96 123.969 123.969 123.094 0.875 19510 2070 1 4 . 1 1 96 96 ALA HA H 96 3.904 3.904 3.947 -0.043 19510 2071 1 4 . 1 1 96 96 ALA C C 96 178.184 178.184 178.937 -0.753 19510 2072 1 4 . 1 1 96 96 ALA CA C 96 54.098 54.098 54.916 -0.818 19510 2073 1 4 . 1 1 96 96 ALA CB C 96 18.118 18.118 18.253 -0.135 19510 2074 1 4 . 1 1 96 96 ALA H H 96 8.688 8.688 7.889 0.799 19510 2075 1 4 . 1 1 97 97 ARG N N 97 117.393 117.393 118.224 -0.831 19510 2076 1 4 . 1 1 97 97 ARG HA H 97 3.857 3.857 3.891 -0.034 19510 2077 1 4 . 1 1 97 97 ARG C C 97 176.770 176.770 178.374 -1.604 19510 2078 1 4 . 1 1 97 97 ARG CA C 97 58.669 58.669 59.226 -0.557 19510 2079 1 4 . 1 1 97 97 ARG CB C 97 28.932 28.932 30.199 -1.267 19510 2080 1 4 . 1 1 97 97 ARG H H 97 8.073 8.073 8.025 0.048 19510 2081 1 4 . 1 1 98 98 GLU N N 98 118.029 118.029 119.552 -1.523 19510 2082 1 4 . 1 1 98 98 GLU HA H 98 4.180 4.180 3.904 0.276 19510 2083 1 4 . 1 1 98 98 GLU C C 98 178.865 178.865 179.116 -0.251 19510 2084 1 4 . 1 1 98 98 GLU CA C 98 57.867 57.867 59.411 -1.544 19510 2085 1 4 . 1 1 98 98 GLU CB C 98 27.704 27.704 28.792 -1.088 19510 2086 1 4 . 1 1 98 98 GLU H H 98 7.896 7.896 8.296 -0.400 19510 2087 1 4 . 1 1 99 99 GLN N N 99 119.735 119.735 118.182 1.553 19510 2088 1 4 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.021 0.164 19510 2089 1 4 . 1 1 99 99 GLN C C 99 178.146 178.146 178.461 -0.315 19510 2090 1 4 . 1 1 99 99 GLN CA C 99 57.748 57.748 58.692 -0.944 19510 2091 1 4 . 1 1 99 99 GLN CB C 99 27.529 27.529 28.476 -0.947 19510 2092 1 4 . 1 1 99 99 GLN H H 99 8.320 8.320 8.020 0.300 19510 2093 1 4 . 1 1 100 100 ILE N N 100 119.676 119.676 117.517 2.159 19510 2094 1 4 . 1 1 100 100 ILE HA H 100 3.993 3.993 4.021 -0.028 19510 2095 1 4 . 1 1 100 100 ILE C C 100 178.315 178.315 178.708 -0.393 19510 2096 1 4 . 1 1 100 100 ILE CA C 100 60.935 60.935 62.673 -1.738 19510 2097 1 4 . 1 1 100 100 ILE CB C 100 34.935 34.935 37.682 -2.747 19510 2098 1 4 . 1 1 100 100 ILE H H 100 8.398 8.398 7.635 0.763 19510 2099 1 4 . 1 1 101 101 ILE N N 101 120.600 120.600 117.258 3.342 19510 2100 1 4 . 1 1 101 101 ILE HA H 101 4.027 4.027 3.754 0.273 19510 2101 1 4 . 1 1 101 101 ILE C C 101 177.006 177.006 177.289 -0.283 19510 2102 1 4 . 1 1 101 101 ILE CA C 101 62.382 62.382 63.583 -1.201 19510 2103 1 4 . 1 1 101 101 ILE CB C 101 36.195 36.195 37.358 -1.163 19510 2104 1 4 . 1 1 101 101 ILE H H 101 8.350 8.350 7.428 0.922 19510 2105 1 4 . 1 1 102 102 SER N N 102 116.172 116.172 113.105 3.067 19510 2106 1 4 . 1 1 102 102 SER HA H 102 4.589 4.589 4.512 0.077 19510 2107 1 4 . 1 1 102 102 SER C C 102 173.845 173.845 175.002 -1.157 19510 2108 1 4 . 1 1 102 102 SER CA C 102 58.735 58.735 57.440 1.295 19510 2109 1 4 . 1 1 102 102 SER CB C 102 62.254 62.254 63.296 -1.042 19510 2110 1 4 . 1 1 102 102 SER H H 102 7.896 7.896 7.693 0.203 19510 2111 1 4 . 1 1 103 103 GLU N N 103 122.642 122.642 119.523 3.119 19510 2112 1 4 . 1 1 103 103 GLU HA H 103 4.473 4.473 4.493 -0.020 19510 2113 1 4 . 1 1 103 103 GLU C C 103 175.095 175.095 176.548 -1.453 19510 2114 1 4 . 1 1 103 103 GLU CA C 103 55.006 55.006 56.039 -1.033 19510 2115 1 4 . 1 1 103 103 GLU CB C 103 28.770 28.770 30.473 -1.703 19510 2116 1 4 . 1 1 103 103 GLU H H 103 7.780 7.780 7.785 -0.005 19510 2117 1 5 . 1 1 4 4 PHE N N 4 122.548 122.548 121.872 0.676 19510 2118 1 5 . 1 1 4 4 PHE HA H 4 4.680 4.680 4.415 0.265 19510 2119 1 5 . 1 1 4 4 PHE CA C 4 57.087 57.087 57.877 -0.789 19510 2120 1 5 . 1 1 4 4 PHE CB C 4 38.126 38.126 40.161 -2.035 19510 2121 1 5 . 1 1 4 4 PHE H H 4 8.328 8.328 8.297 0.031 19510 2122 1 5 . 1 1 7 7 ARG N N 7 121.962 121.962 120.661 1.301 19510 2123 1 5 . 1 1 7 7 ARG HA H 7 4.265 4.265 4.467 -0.202 19510 2124 1 5 . 1 1 7 7 ARG C C 7 176.683 176.683 176.025 0.658 19510 2125 1 5 . 1 1 7 7 ARG CA C 7 56.502 56.502 55.430 1.072 19510 2126 1 5 . 1 1 7 7 ARG CB C 7 28.840 28.840 30.599 -1.759 19510 2127 1 5 . 1 1 7 7 ARG H H 7 8.339 8.339 8.256 0.083 19510 2128 1 5 . 1 1 8 8 GLU N N 8 121.095 121.095 122.035 -0.940 19510 2129 1 5 . 1 1 8 8 GLU HA H 8 4.233 4.233 4.270 -0.037 19510 2130 1 5 . 1 1 8 8 GLU C C 8 176.964 176.964 177.106 -0.142 19510 2131 1 5 . 1 1 8 8 GLU CA C 8 57.517 57.517 56.302 1.215 19510 2132 1 5 . 1 1 8 8 GLU CB C 8 27.744 27.744 30.361 -2.617 19510 2133 1 5 . 1 1 8 8 GLU H H 8 8.384 8.384 8.457 -0.073 19510 2134 1 5 . 1 1 9 9 ARG N N 9 121.320 121.320 120.511 0.809 19510 2135 1 5 . 1 1 9 9 ARG HA H 9 4.310 4.310 4.174 0.136 19510 2136 1 5 . 1 1 9 9 ARG C C 9 176.563 176.563 175.894 0.669 19510 2137 1 5 . 1 1 9 9 ARG CA C 9 56.233 56.233 56.625 -0.392 19510 2138 1 5 . 1 1 9 9 ARG CB C 9 28.977 28.977 30.657 -1.680 19510 2139 1 5 . 1 1 9 9 ARG H H 9 8.291 8.291 8.456 -0.165 19510 2140 1 5 . 1 1 10 10 ALA N N 10 123.900 123.900 121.633 2.267 19510 2141 1 5 . 1 1 10 10 ALA HA H 10 4.333 4.333 4.444 -0.111 19510 2142 1 5 . 1 1 10 10 ALA C C 10 178.129 178.129 176.547 1.582 19510 2143 1 5 . 1 1 10 10 ALA CA C 10 52.348 52.348 51.904 0.444 19510 2144 1 5 . 1 1 10 10 ALA CB C 10 17.396 17.396 19.716 -2.320 19510 2145 1 5 . 1 1 10 10 ALA H H 10 8.225 8.225 8.219 0.006 19510 2146 1 5 . 1 1 11 11 HIS N N 11 117.829 117.829 117.142 0.687 19510 2147 1 5 . 1 1 11 11 HIS HA H 11 4.740 4.740 4.523 0.217 19510 2148 1 5 . 1 1 11 11 HIS C C 11 175.013 175.013 175.114 -0.101 19510 2149 1 5 . 1 1 11 11 HIS CA C 11 55.041 55.041 55.938 -0.897 19510 2150 1 5 . 1 1 11 11 HIS CB C 11 27.391 27.391 29.671 -2.280 19510 2151 1 5 . 1 1 11 11 HIS H H 11 8.500 8.500 8.345 0.155 19510 2152 1 5 . 1 1 12 12 GLU N N 12 121.398 121.398 120.505 0.893 19510 2153 1 5 . 1 1 12 12 GLU HA H 12 4.326 4.326 4.166 0.160 19510 2154 1 5 . 1 1 12 12 GLU C C 12 176.808 176.808 177.418 -0.610 19510 2155 1 5 . 1 1 12 12 GLU CA C 12 56.517 56.517 57.102 -0.585 19510 2156 1 5 . 1 1 12 12 GLU CB C 12 28.289 28.289 29.346 -1.056 19510 2157 1 5 . 1 1 12 12 GLU H H 12 8.456 8.456 8.460 -0.004 19510 2158 1 5 . 1 1 13 13 ALA N N 13 124.231 124.231 130.242 -6.011 19510 2159 1 5 . 1 1 13 13 ALA HA H 13 4.309 4.309 3.953 0.356 19510 2160 1 5 . 1 1 13 13 ALA C C 13 178.197 178.197 179.273 -1.076 19510 2161 1 5 . 1 1 13 13 ALA CA C 13 53.511 53.511 54.357 -0.846 19510 2162 1 5 . 1 1 13 13 ALA CB C 13 17.174 17.174 17.462 -0.288 19510 2163 1 5 . 1 1 13 13 ALA H H 13 8.444 8.444 8.921 -0.477 19510 2164 1 5 . 1 1 14 14 LYS N N 14 120.159 120.159 118.924 1.235 19510 2165 1 5 . 1 1 14 14 LYS HA H 14 4.257 4.257 4.068 0.189 19510 2166 1 5 . 1 1 14 14 LYS C C 14 176.757 176.757 178.594 -1.837 19510 2167 1 5 . 1 1 14 14 LYS CA C 14 56.461 56.461 58.801 -2.340 19510 2168 1 5 . 1 1 14 14 LYS CB C 14 31.191 31.191 32.096 -0.905 19510 2169 1 5 . 1 1 14 14 LYS H H 14 8.136 8.136 8.024 0.112 19510 2170 1 5 . 1 1 15 15 PHE N N 15 118.588 118.588 118.192 0.396 19510 2171 1 5 . 1 1 15 15 PHE HA H 15 4.527 4.527 4.291 0.236 19510 2172 1 5 . 1 1 15 15 PHE C C 15 175.635 175.635 176.610 -0.975 19510 2173 1 5 . 1 1 15 15 PHE CA C 15 57.992 57.992 60.436 -2.444 19510 2174 1 5 . 1 1 15 15 PHE CB C 15 37.908 37.908 38.790 -0.882 19510 2175 1 5 . 1 1 15 15 PHE H H 15 7.998 7.998 7.823 0.175 19510 2176 1 5 . 1 1 16 16 ALA N N 16 122.847 122.847 119.618 3.229 19510 2177 1 5 . 1 1 16 16 ALA HA H 16 4.317 4.317 4.228 0.089 19510 2178 1 5 . 1 1 16 16 ALA C C 16 177.641 177.641 177.083 0.558 19510 2179 1 5 . 1 1 16 16 ALA CA C 16 52.317 52.317 53.227 -0.910 19510 2180 1 5 . 1 1 16 16 ALA CB C 16 17.378 17.378 19.538 -2.160 19510 2181 1 5 . 1 1 16 16 ALA H H 16 8.172 8.172 7.774 0.398 19510 2182 1 5 . 1 1 17 17 HIS N N 17 115.904 115.904 116.404 -0.500 19510 2183 1 5 . 1 1 17 17 HIS HA H 17 4.839 4.839 4.653 0.186 19510 2184 1 5 . 1 1 17 17 HIS CA C 17 54.594 54.594 55.841 -1.247 19510 2185 1 5 . 1 1 17 17 HIS CB C 17 27.532 27.532 32.427 -4.895 19510 2186 1 5 . 1 1 17 17 HIS H H 17 8.218 8.218 7.850 0.368 19510 2187 1 5 . 1 1 18 18 ASP N N 18 121.432 121.432 118.414 3.018 19510 2188 1 5 . 1 1 18 18 ASP HA H 18 4.758 4.758 4.434 0.324 19510 2189 1 5 . 1 1 18 18 ASP CA C 18 53.004 53.004 55.228 -2.224 19510 2190 1 5 . 1 1 18 18 ASP CB C 18 39.571 39.571 40.969 -1.398 19510 2191 1 5 . 1 1 18 18 ASP H H 18 8.103 8.103 8.115 -0.012 19510 2192 1 5 . 1 1 19 19 ALA N N 19 126.628 126.628 120.584 6.044 19510 2193 1 5 . 1 1 19 19 ALA HA H 19 4.303 4.303 4.279 0.024 19510 2194 1 5 . 1 1 19 19 ALA CA C 19 53.177 53.177 52.671 0.506 19510 2195 1 5 . 1 1 19 19 ALA CB C 19 17.231 17.231 19.801 -2.570 19510 2196 1 5 . 1 1 19 19 ALA H H 19 8.588 8.588 8.182 0.406 19510 2197 1 5 . 1 1 20 20 GLU N N 20 119.826 119.826 119.877 -0.051 19510 2198 1 5 . 1 1 20 20 GLU HA H 20 4.314 4.314 4.235 0.079 19510 2199 1 5 . 1 1 20 20 GLU CA C 20 57.403 57.403 59.575 -2.172 19510 2200 1 5 . 1 1 20 20 GLU CB C 20 27.780 27.780 29.169 -1.389 19510 2201 1 5 . 1 1 20 20 GLU H H 20 8.391 8.391 8.725 -0.334 19510 2202 1 5 . 1 1 21 21 LEU N N 21 122.268 122.268 118.040 4.228 19510 2203 1 5 . 1 1 21 21 LEU HA H 21 4.179 4.179 4.313 -0.134 19510 2204 1 5 . 1 1 21 21 LEU CA C 21 56.531 56.531 56.811 -0.280 19510 2205 1 5 . 1 1 21 21 LEU CB C 21 40.255 40.255 41.956 -1.701 19510 2206 1 5 . 1 1 21 21 LEU H H 21 8.134 8.134 8.045 0.089 19510 2207 1 5 . 1 1 22 22 ASN N N 22 118.005 118.005 118.765 -0.760 19510 2208 1 5 . 1 1 22 22 ASN HA H 22 4.665 4.665 3.966 0.699 19510 2209 1 5 . 1 1 22 22 ASN CA C 22 55.493 55.493 55.520 -0.028 19510 2210 1 5 . 1 1 22 22 ASN CB C 22 37.084 37.084 37.962 -0.877 19510 2211 1 5 . 1 1 22 22 ASN H H 22 8.456 8.456 7.345 1.111 19510 2212 1 5 . 1 1 23 23 PHE N N 23 121.379 121.379 120.407 0.972 19510 2213 1 5 . 1 1 23 23 PHE HA H 23 4.509 4.509 4.083 0.426 19510 2214 1 5 . 1 1 23 23 PHE CA C 23 59.496 59.496 61.386 -1.890 19510 2215 1 5 . 1 1 23 23 PHE CB C 23 37.380 37.380 38.927 -1.547 19510 2216 1 5 . 1 1 23 23 PHE H H 23 8.453 8.453 8.876 -0.423 19510 2217 1 5 . 1 1 24 24 LYS N N 24 120.674 120.674 118.404 2.270 19510 2218 1 5 . 1 1 24 24 LYS HA H 24 4.191 4.191 4.064 0.127 19510 2219 1 5 . 1 1 24 24 LYS C C 24 179.309 179.309 179.080 0.229 19510 2220 1 5 . 1 1 24 24 LYS CA C 24 58.132 58.132 59.180 -1.048 19510 2221 1 5 . 1 1 24 24 LYS CB C 24 31.828 31.828 31.848 -0.020 19510 2222 1 5 . 1 1 24 24 LYS H H 24 8.504 8.504 7.796 0.708 19510 2223 1 5 . 1 1 25 25 ALA N N 25 123.584 123.584 122.449 1.135 19510 2224 1 5 . 1 1 25 25 ALA HA H 25 4.146 4.146 4.257 -0.111 19510 2225 1 5 . 1 1 25 25 ALA C C 25 178.243 178.243 178.414 -0.171 19510 2226 1 5 . 1 1 25 25 ALA CA C 25 53.760 53.760 54.375 -0.615 19510 2227 1 5 . 1 1 25 25 ALA CB C 25 16.827 16.827 18.595 -1.768 19510 2228 1 5 . 1 1 25 25 ALA H H 25 8.841 8.841 7.924 0.917 19510 2229 1 5 . 1 1 26 26 GLU N N 26 122.239 122.239 118.101 4.138 19510 2230 1 5 . 1 1 26 26 GLU HA H 26 4.083 4.083 3.980 0.103 19510 2231 1 5 . 1 1 26 26 GLU C C 26 177.265 177.265 176.681 0.584 19510 2232 1 5 . 1 1 26 26 GLU CA C 26 57.850 57.850 58.818 -0.968 19510 2233 1 5 . 1 1 26 26 GLU CB C 26 28.891 28.891 29.883 -0.992 19510 2234 1 5 . 1 1 26 26 GLU H H 26 8.482 8.482 8.103 0.379 19510 2235 1 5 . 1 1 27 27 ALA N N 27 122.124 122.124 120.591 1.533 19510 2236 1 5 . 1 1 27 27 ALA HA H 27 4.352 4.352 4.580 -0.228 19510 2237 1 5 . 1 1 27 27 ALA C C 27 180.552 180.552 179.371 1.181 19510 2238 1 5 . 1 1 27 27 ALA CA C 27 53.519 53.519 52.518 1.001 19510 2239 1 5 . 1 1 27 27 ALA CB C 27 16.410 16.410 19.802 -3.392 19510 2240 1 5 . 1 1 27 27 ALA H H 27 8.043 8.043 7.524 0.519 19510 2241 1 5 . 1 1 28 28 ARG N N 28 120.375 120.375 117.147 3.228 19510 2242 1 5 . 1 1 28 28 ARG HA H 28 4.441 4.441 3.967 0.474 19510 2243 1 5 . 1 1 28 28 ARG C C 28 176.309 176.309 177.429 -1.120 19510 2244 1 5 . 1 1 28 28 ARG CA C 28 55.369 55.369 58.434 -3.065 19510 2245 1 5 . 1 1 28 28 ARG CB C 28 28.480 28.480 29.040 -0.560 19510 2246 1 5 . 1 1 28 28 ARG H H 28 8.101 8.101 8.581 -0.480 19510 2247 1 5 . 1 1 29 29 ARG N N 29 122.734 122.734 118.543 4.191 19510 2248 1 5 . 1 1 29 29 ARG HA H 29 3.743 3.743 3.958 -0.215 19510 2249 1 5 . 1 1 29 29 ARG CA C 29 58.672 58.672 59.279 -0.607 19510 2250 1 5 . 1 1 29 29 ARG CB C 29 29.051 29.051 29.785 -0.734 19510 2251 1 5 . 1 1 29 29 ARG H H 29 8.901 8.901 8.041 0.860 19510 2252 1 5 . 1 1 30 30 ASN N N 30 119.961 119.961 114.173 5.788 19510 2253 1 5 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.736 -0.102 19510 2254 1 5 . 1 1 30 30 ASN C C 30 175.888 175.888 177.444 -1.556 19510 2255 1 5 . 1 1 30 30 ASN CA C 30 55.147 55.147 53.898 1.249 19510 2256 1 5 . 1 1 30 30 ASN CB C 30 35.418 35.418 38.855 -3.437 19510 2257 1 5 . 1 1 30 30 ASN H H 30 8.429 8.429 8.214 0.215 19510 2258 1 5 . 1 1 31 31 ARG N N 31 123.400 123.400 120.913 2.487 19510 2259 1 5 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.239 0.043 19510 2260 1 5 . 1 1 31 31 ARG C C 31 177.804 177.804 177.042 0.762 19510 2261 1 5 . 1 1 31 31 ARG CA C 31 58.132 58.132 58.385 -0.253 19510 2262 1 5 . 1 1 31 31 ARG CB C 31 27.636 27.636 29.540 -1.904 19510 2263 1 5 . 1 1 31 31 ARG H H 31 8.052 8.052 7.638 0.414 19510 2264 1 5 . 1 1 32 32 LEU N N 32 119.872 119.872 113.055 6.817 19510 2265 1 5 . 1 1 32 32 LEU HA H 32 4.318 4.318 4.771 -0.453 19510 2266 1 5 . 1 1 32 32 LEU C C 32 180.602 180.602 177.551 3.051 19510 2267 1 5 . 1 1 32 32 LEU CA C 32 56.471 56.471 54.918 1.553 19510 2268 1 5 . 1 1 32 32 LEU CB C 32 40.558 40.558 42.891 -2.333 19510 2269 1 5 . 1 1 32 32 LEU H H 32 8.752 8.752 7.482 1.270 19510 2270 1 5 . 1 1 33 33 LEU N N 33 124.468 124.468 122.579 1.889 19510 2271 1 5 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.248 0.053 19510 2272 1 5 . 1 1 33 33 LEU C C 33 177.992 177.992 178.630 -0.638 19510 2273 1 5 . 1 1 33 33 LEU CA C 33 56.482 56.482 57.661 -1.179 19510 2274 1 5 . 1 1 33 33 LEU CB C 33 41.626 41.626 41.810 -0.184 19510 2275 1 5 . 1 1 33 33 LEU H H 33 9.273 9.273 7.893 1.380 19510 2276 1 5 . 1 1 34 34 GLY N N 34 109.045 109.045 106.390 2.655 19510 2277 1 5 . 1 1 34 34 GLY C C 34 174.530 174.530 175.711 -1.181 19510 2278 1 5 . 1 1 34 34 GLY CA C 34 45.447 45.447 47.253 -1.806 19510 2279 1 5 . 1 1 34 34 GLY H H 34 8.907 8.907 8.342 0.565 19510 2280 1 5 . 1 1 35 35 GLU N N 35 123.414 123.414 122.568 0.846 19510 2281 1 5 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.097 0.080 19510 2282 1 5 . 1 1 35 35 GLU C C 35 178.866 178.866 178.635 0.231 19510 2283 1 5 . 1 1 35 35 GLU CA C 35 59.564 59.564 59.008 0.556 19510 2284 1 5 . 1 1 35 35 GLU CB C 35 27.692 27.692 29.564 -1.872 19510 2285 1 5 . 1 1 35 35 GLU H H 35 8.935 8.935 7.802 1.133 19510 2286 1 5 . 1 1 36 36 TRP N N 36 124.774 124.774 121.809 2.965 19510 2287 1 5 . 1 1 36 36 TRP HA H 36 4.604 4.604 4.285 0.319 19510 2288 1 5 . 1 1 36 36 TRP C C 36 177.618 177.618 177.769 -0.151 19510 2289 1 5 . 1 1 36 36 TRP CA C 36 58.867 58.867 60.852 -1.984 19510 2290 1 5 . 1 1 36 36 TRP CB C 36 26.021 26.021 29.308 -3.288 19510 2291 1 5 . 1 1 36 36 TRP H H 36 8.531 8.531 7.635 0.896 19510 2292 1 5 . 1 1 37 37 ALA N N 37 123.777 123.777 120.079 3.698 19510 2293 1 5 . 1 1 37 37 ALA HA H 37 3.403 3.403 3.285 0.118 19510 2294 1 5 . 1 1 37 37 ALA C C 37 177.427 177.427 178.946 -1.519 19510 2295 1 5 . 1 1 37 37 ALA CA C 37 53.148 53.148 53.953 -0.805 19510 2296 1 5 . 1 1 37 37 ALA CB C 37 18.440 18.440 18.466 -0.026 19510 2297 1 5 . 1 1 37 37 ALA H H 37 9.141 9.141 7.899 1.242 19510 2298 1 5 . 1 1 38 38 ALA N N 38 119.259 119.259 121.860 -2.601 19510 2299 1 5 . 1 1 38 38 ALA HA H 38 3.523 3.523 3.838 -0.316 19510 2300 1 5 . 1 1 38 38 ALA C C 38 178.670 178.670 179.210 -0.540 19510 2301 1 5 . 1 1 38 38 ALA CA C 38 53.882 53.882 55.269 -1.387 19510 2302 1 5 . 1 1 38 38 ALA CB C 38 17.083 17.083 18.494 -1.411 19510 2303 1 5 . 1 1 38 38 ALA H H 38 8.788 8.788 8.615 0.173 19510 2304 1 5 . 1 1 39 39 GLY N N 39 104.011 104.011 103.760 0.251 19510 2305 1 5 . 1 1 39 39 GLY C C 39 177.232 177.232 175.470 1.762 19510 2306 1 5 . 1 1 39 39 GLY CA C 39 45.519 45.519 45.793 -0.274 19510 2307 1 5 . 1 1 39 39 GLY H H 39 7.756 7.756 7.793 -0.037 19510 2308 1 5 . 1 1 40 40 LEU N N 40 125.340 125.340 120.021 5.319 19510 2309 1 5 . 1 1 40 40 LEU HA H 40 4.111 4.111 4.242 -0.131 19510 2310 1 5 . 1 1 40 40 LEU C C 40 178.203 178.203 177.730 0.473 19510 2311 1 5 . 1 1 40 40 LEU CA C 40 56.123 56.123 56.176 -0.053 19510 2312 1 5 . 1 1 40 40 LEU CB C 40 40.764 40.764 42.224 -1.460 19510 2313 1 5 . 1 1 40 40 LEU H H 40 7.511 7.511 7.278 0.233 19510 2314 1 5 . 1 1 41 41 LEU N N 41 117.234 117.234 116.358 0.876 19510 2315 1 5 . 1 1 41 41 LEU HA H 41 4.139 4.139 4.217 -0.078 19510 2316 1 5 . 1 1 41 41 LEU C C 41 176.119 176.119 177.599 -1.480 19510 2317 1 5 . 1 1 41 41 LEU CA C 41 53.213 53.213 55.113 -1.900 19510 2318 1 5 . 1 1 41 41 LEU CB C 41 41.092 41.092 41.816 -0.724 19510 2319 1 5 . 1 1 41 41 LEU H H 41 7.692 7.692 7.652 0.040 19510 2320 1 5 . 1 1 42 42 GLY N N 42 109.595 109.595 107.632 1.963 19510 2321 1 5 . 1 1 42 42 GLY C C 42 173.775 173.775 174.440 -0.665 19510 2322 1 5 . 1 1 42 42 GLY CA C 42 44.409 44.409 45.439 -1.030 19510 2323 1 5 . 1 1 42 42 GLY H H 42 7.896 7.896 7.771 0.125 19510 2324 1 5 . 1 1 43 43 LYS N N 43 119.965 119.965 123.458 -3.493 19510 2325 1 5 . 1 1 43 43 LYS HA H 43 4.737 4.737 4.251 0.486 19510 2326 1 5 . 1 1 43 43 LYS C C 43 175.246 175.246 175.366 -0.120 19510 2327 1 5 . 1 1 43 43 LYS CA C 43 54.189 54.189 56.476 -2.287 19510 2328 1 5 . 1 1 43 43 LYS CB C 43 33.208 33.208 32.591 0.617 19510 2329 1 5 . 1 1 43 43 LYS H H 43 8.104 8.104 7.820 0.284 19510 2330 1 5 . 1 1 44 44 THR N N 44 114.199 114.199 113.691 0.508 19510 2331 1 5 . 1 1 44 44 THR HA H 44 4.773 4.773 4.517 0.256 19510 2332 1 5 . 1 1 44 44 THR C C 44 174.392 174.392 174.754 -0.362 19510 2333 1 5 . 1 1 44 44 THR CA C 44 58.348 58.348 60.367 -2.019 19510 2334 1 5 . 1 1 44 44 THR CB C 44 70.921 70.921 71.595 -0.674 19510 2335 1 5 . 1 1 44 44 THR H H 44 8.958 8.958 8.012 0.946 19510 2336 1 5 . 1 1 45 45 GLY N N 45 109.657 109.657 108.944 0.713 19510 2337 1 5 . 1 1 45 45 GLY C C 45 175.330 175.330 175.308 0.022 19510 2338 1 5 . 1 1 45 45 GLY CA C 45 45.315 45.315 45.672 -0.357 19510 2339 1 5 . 1 1 45 45 GLY H H 45 8.885 8.885 8.370 0.515 19510 2340 1 5 . 1 1 46 46 ASP N N 46 128.403 128.403 122.301 6.102 19510 2341 1 5 . 1 1 46 46 ASP HA H 46 4.561 4.561 4.451 0.110 19510 2342 1 5 . 1 1 46 46 ASP C C 46 177.343 177.343 178.033 -0.690 19510 2343 1 5 . 1 1 46 46 ASP CA C 46 55.829 55.829 56.849 -1.020 19510 2344 1 5 . 1 1 46 46 ASP CB C 46 39.039 39.039 40.724 -1.685 19510 2345 1 5 . 1 1 46 46 ASP H H 46 9.318 9.318 8.523 0.795 19510 2346 1 5 . 1 1 47 47 ASP N N 47 121.367 121.367 119.538 1.829 19510 2347 1 5 . 1 1 47 47 ASP HA H 47 4.668 4.668 4.449 0.219 19510 2348 1 5 . 1 1 47 47 ASP CA C 47 55.545 55.545 57.280 -1.735 19510 2349 1 5 . 1 1 47 47 ASP CB C 47 39.415 39.415 40.823 -1.408 19510 2350 1 5 . 1 1 47 47 ASP H H 47 8.521 8.521 7.847 0.674 19510 2351 1 5 . 1 1 48 48 ALA N N 48 123.210 123.210 122.110 1.100 19510 2352 1 5 . 1 1 48 48 ALA HA H 48 3.940 3.940 4.139 -0.199 19510 2353 1 5 . 1 1 48 48 ALA CA C 48 53.331 53.331 55.191 -1.860 19510 2354 1 5 . 1 1 48 48 ALA CB C 48 16.036 16.036 18.768 -2.732 19510 2355 1 5 . 1 1 48 48 ALA H H 48 7.262 7.262 7.548 -0.286 19510 2356 1 5 . 1 1 49 49 ARG N N 49 120.088 120.088 118.970 1.118 19510 2357 1 5 . 1 1 49 49 ARG HA H 49 4.126 4.126 4.150 -0.024 19510 2358 1 5 . 1 1 49 49 ARG CA C 49 57.876 57.876 58.984 -1.108 19510 2359 1 5 . 1 1 49 49 ARG CB C 49 28.774 28.774 30.149 -1.375 19510 2360 1 5 . 1 1 49 49 ARG H H 49 7.805 7.805 8.121 -0.316 19510 2361 1 5 . 1 1 50 50 ALA N N 50 121.061 121.061 121.250 -0.189 19510 2362 1 5 . 1 1 50 50 ALA HA H 50 4.218 4.218 4.109 0.109 19510 2363 1 5 . 1 1 50 50 ALA CA C 50 53.399 53.399 54.595 -1.196 19510 2364 1 5 . 1 1 50 50 ALA CB C 50 16.672 16.672 18.165 -1.493 19510 2365 1 5 . 1 1 50 50 ALA H H 50 8.387 8.387 8.376 0.011 19510 2366 1 5 . 1 1 51 51 TYR N N 51 119.264 119.264 121.533 -2.269 19510 2367 1 5 . 1 1 51 51 TYR HA H 51 4.231 4.231 4.105 0.126 19510 2368 1 5 . 1 1 51 51 TYR C C 51 178.335 178.335 177.491 0.844 19510 2369 1 5 . 1 1 51 51 TYR CA C 51 60.493 60.493 60.371 0.122 19510 2370 1 5 . 1 1 51 51 TYR CB C 51 37.094 37.094 38.272 -1.178 19510 2371 1 5 . 1 1 51 51 TYR H H 51 8.095 8.095 7.883 0.212 19510 2372 1 5 . 1 1 52 52 ALA N N 52 124.002 124.002 119.503 4.499 19510 2373 1 5 . 1 1 52 52 ALA HA H 52 3.899 3.899 3.883 0.016 19510 2374 1 5 . 1 1 52 52 ALA C C 52 178.352 178.352 177.510 0.842 19510 2375 1 5 . 1 1 52 52 ALA CA C 52 54.394 54.394 54.134 0.260 19510 2376 1 5 . 1 1 52 52 ALA CB C 52 16.369 16.369 18.447 -2.078 19510 2377 1 5 . 1 1 52 52 ALA H H 52 8.651 8.651 8.235 0.416 19510 2378 1 5 . 1 1 53 53 LEU N N 53 116.593 116.593 115.057 1.536 19510 2379 1 5 . 1 1 53 53 LEU HA H 53 4.301 4.301 4.405 -0.104 19510 2380 1 5 . 1 1 53 53 LEU C C 53 177.452 177.452 177.602 -0.150 19510 2381 1 5 . 1 1 53 53 LEU CA C 53 55.412 55.412 55.268 0.144 19510 2382 1 5 . 1 1 53 53 LEU CB C 53 40.510 40.510 42.232 -1.722 19510 2383 1 5 . 1 1 53 53 LEU H H 53 7.664 7.664 7.417 0.247 19510 2384 1 5 . 1 1 54 54 THR N N 54 110.998 110.998 113.689 -2.691 19510 2385 1 5 . 1 1 54 54 THR HA H 54 4.401 4.401 4.429 -0.028 19510 2386 1 5 . 1 1 54 54 THR CA C 54 61.997 61.997 62.278 -0.281 19510 2387 1 5 . 1 1 54 54 THR CB C 54 67.988 67.988 69.870 -1.882 19510 2388 1 5 . 1 1 54 54 THR H H 54 7.962 7.962 7.867 0.096 19510 2389 1 5 . 1 1 55 55 VAL N N 55 123.907 123.907 123.534 0.373 19510 2390 1 5 . 1 1 55 55 VAL HA H 55 3.869 3.869 4.022 -0.153 19510 2391 1 5 . 1 1 55 55 VAL CA C 55 62.373 62.373 62.675 -0.302 19510 2392 1 5 . 1 1 55 55 VAL CB C 55 29.037 29.037 29.069 -0.032 19510 2393 1 5 . 1 1 55 55 VAL H H 55 7.217 7.217 7.437 -0.220 19510 2394 1 5 . 1 1 56 56 VAL N N 56 119.176 119.176 126.572 -7.396 19510 2395 1 5 . 1 1 56 56 VAL HA H 56 4.300 4.300 4.498 -0.199 19510 2396 1 5 . 1 1 56 56 VAL CA C 56 55.363 55.363 61.204 -5.841 19510 2397 1 5 . 1 1 56 56 VAL CB C 56 32.466 32.466 34.658 -2.192 19510 2398 1 5 . 1 1 56 56 VAL H H 56 7.474 7.474 8.010 -0.536 19510 2399 1 5 . 1 1 57 57 THR N N 57 114.951 114.951 119.986 -5.035 19510 2400 1 5 . 1 1 57 57 THR HA H 57 4.509 4.509 4.542 -0.033 19510 2401 1 5 . 1 1 57 57 THR CA C 57 60.698 60.698 59.930 0.768 19510 2402 1 5 . 1 1 57 57 THR CB C 57 68.177 68.177 69.856 -1.679 19510 2403 1 5 . 1 1 57 57 THR H H 57 7.992 7.992 8.257 -0.265 19510 2404 1 5 . 1 1 58 58 SER N N 58 119.820 119.820 114.403 5.417 19510 2405 1 5 . 1 1 58 58 SER HA H 58 4.554 4.554 4.564 -0.010 19510 2406 1 5 . 1 1 58 58 SER CA C 58 57.409 57.409 58.244 -0.835 19510 2407 1 5 . 1 1 58 58 SER CB C 58 62.399 62.399 63.799 -1.400 19510 2408 1 5 . 1 1 58 58 SER H H 58 8.473 8.473 8.291 0.182 19510 2409 1 5 . 1 1 59 59 ASP N N 59 122.199 122.199 116.177 6.022 19510 2410 1 5 . 1 1 59 59 ASP HA H 59 4.762 4.762 4.778 -0.016 19510 2411 1 5 . 1 1 59 59 ASP C C 59 175.459 175.459 175.750 -0.291 19510 2412 1 5 . 1 1 59 59 ASP CA C 59 52.469 52.469 53.091 -0.622 19510 2413 1 5 . 1 1 59 59 ASP CB C 59 39.455 39.455 41.670 -2.215 19510 2414 1 5 . 1 1 59 59 ASP H H 59 8.285 8.285 8.162 0.123 19510 2415 1 5 . 1 1 60 60 PHE HA H 60 4.182 4.182 4.328 -0.146 19510 2416 1 5 . 1 1 60 60 PHE CA C 60 59.253 59.253 60.472 -1.220 19510 2417 1 5 . 1 1 60 60 PHE CB C 60 35.163 35.163 39.064 -3.901 19510 2418 1 5 . 1 1 63 63 PRO HA H 63 4.606 4.606 4.582 0.024 19510 2419 1 5 . 1 1 63 63 PRO CA C 63 55.716 55.716 62.790 -7.074 19510 2420 1 5 . 1 1 63 63 PRO CB C 63 30.732 30.732 30.196 0.536 19510 2421 1 5 . 1 1 64 64 GLY N N 64 110.382 110.382 110.721 -0.339 19510 2422 1 5 . 1 1 64 64 GLY CA C 64 44.280 44.280 45.461 -1.181 19510 2423 1 5 . 1 1 64 64 GLY H H 64 8.706 8.706 7.749 0.957 19510 2424 1 5 . 1 1 65 65 ASP N N 65 121.977 121.977 119.920 2.057 19510 2425 1 5 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.378 0.285 19510 2426 1 5 . 1 1 65 65 ASP CA C 65 55.765 55.765 54.689 1.076 19510 2427 1 5 . 1 1 65 65 ASP CB C 65 39.579 39.579 40.625 -1.046 19510 2428 1 5 . 1 1 65 65 ASP H H 65 8.661 8.661 8.580 0.081 19510 2429 1 5 . 1 1 66 66 GLU N N 66 120.065 120.065 117.299 2.766 19510 2430 1 5 . 1 1 66 66 GLU HA H 66 4.437 4.437 4.159 0.278 19510 2431 1 5 . 1 1 66 66 GLU CA C 66 57.520 57.520 57.599 -0.079 19510 2432 1 5 . 1 1 66 66 GLU CB C 66 27.598 27.598 28.317 -0.719 19510 2433 1 5 . 1 1 66 66 GLU H H 66 8.643 8.643 8.520 0.123 19510 2434 1 5 . 1 1 67 67 ASP N N 67 120.033 120.033 119.708 0.325 19510 2435 1 5 . 1 1 67 67 ASP HA H 67 4.609 4.609 4.843 -0.234 19510 2436 1 5 . 1 1 67 67 ASP CA C 67 55.601 55.601 55.388 0.213 19510 2437 1 5 . 1 1 67 67 ASP CB C 67 39.106 39.106 42.907 -3.801 19510 2438 1 5 . 1 1 67 67 ASP H H 67 8.272 8.272 8.444 -0.172 19510 2439 1 5 . 1 1 68 68 VAL N N 68 123.206 123.206 122.110 1.096 19510 2440 1 5 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.655 0.162 19510 2441 1 5 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.426 0.289 19510 2442 1 5 . 1 1 68 68 VAL CB C 68 30.705 30.705 31.790 -1.085 19510 2443 1 5 . 1 1 68 68 VAL H H 68 8.045 8.045 7.329 0.716 19510 2444 1 5 . 1 1 69 69 PHE N N 69 120.600 120.600 117.212 3.388 19510 2445 1 5 . 1 1 69 69 PHE HA H 69 4.158 4.158 4.335 -0.177 19510 2446 1 5 . 1 1 69 69 PHE CA C 69 61.013 61.013 58.214 2.799 19510 2447 1 5 . 1 1 69 69 PHE CB C 69 37.455 37.455 37.670 -0.215 19510 2448 1 5 . 1 1 69 69 PHE H H 69 8.488 8.488 8.318 0.170 19510 2449 1 5 . 1 1 70 70 ARG N N 70 117.820 117.820 120.695 -2.875 19510 2450 1 5 . 1 1 70 70 ARG HA H 70 3.755 3.755 3.149 0.606 19510 2451 1 5 . 1 1 70 70 ARG C C 70 178.813 178.813 177.813 1.000 19510 2452 1 5 . 1 1 70 70 ARG CA C 70 58.184 58.184 58.541 -0.357 19510 2453 1 5 . 1 1 70 70 ARG CB C 70 28.899 28.899 29.334 -0.435 19510 2454 1 5 . 1 1 70 70 ARG H H 70 8.611 8.611 7.505 1.106 19510 2455 1 5 . 1 1 71 71 LYS N N 71 121.726 121.726 117.765 3.961 19510 2456 1 5 . 1 1 71 71 LYS HA H 71 4.253 4.253 4.060 0.193 19510 2457 1 5 . 1 1 71 71 LYS C C 71 177.020 177.020 178.573 -1.553 19510 2458 1 5 . 1 1 71 71 LYS CA C 71 58.490 58.490 58.902 -0.412 19510 2459 1 5 . 1 1 71 71 LYS CB C 71 31.216 31.216 31.781 -0.565 19510 2460 1 5 . 1 1 71 71 LYS H H 71 7.686 7.686 7.453 0.233 19510 2461 1 5 . 1 1 72 72 LEU N N 72 119.355 119.355 119.673 -0.318 19510 2462 1 5 . 1 1 72 72 LEU HA H 72 4.051 4.051 4.344 -0.293 19510 2463 1 5 . 1 1 72 72 LEU C C 72 177.378 177.378 178.499 -1.121 19510 2464 1 5 . 1 1 72 72 LEU CA C 72 56.317 56.317 56.900 -0.583 19510 2465 1 5 . 1 1 72 72 LEU CB C 72 41.148 41.148 41.986 -0.838 19510 2466 1 5 . 1 1 72 72 LEU H H 72 8.215 8.215 7.601 0.614 19510 2467 1 5 . 1 1 73 73 ALA N N 73 121.106 121.106 122.790 -1.684 19510 2468 1 5 . 1 1 73 73 ALA HA H 73 3.767 3.767 4.023 -0.256 19510 2469 1 5 . 1 1 73 73 ALA C C 73 179.644 179.644 179.187 0.457 19510 2470 1 5 . 1 1 73 73 ALA CA C 73 53.263 53.263 54.888 -1.625 19510 2471 1 5 . 1 1 73 73 ALA CB C 73 15.930 15.930 18.246 -2.316 19510 2472 1 5 . 1 1 73 73 ALA H H 73 9.143 9.143 8.464 0.679 19510 2473 1 5 . 1 1 74 74 ALA N N 74 119.383 119.383 116.657 2.726 19510 2474 1 5 . 1 1 74 74 ALA HA H 74 4.384 4.384 4.079 0.305 19510 2475 1 5 . 1 1 74 74 ALA C C 74 179.752 179.752 178.366 1.386 19510 2476 1 5 . 1 1 74 74 ALA CA C 74 53.524 53.524 53.883 -0.359 19510 2477 1 5 . 1 1 74 74 ALA CB C 74 17.094 17.094 18.584 -1.490 19510 2478 1 5 . 1 1 74 74 ALA H H 74 7.403 7.403 7.897 -0.494 19510 2479 1 5 . 1 1 75 75 ASP N N 75 120.226 120.226 118.999 1.227 19510 2480 1 5 . 1 1 75 75 ASP HA H 75 4.523 4.523 4.645 -0.122 19510 2481 1 5 . 1 1 75 75 ASP C C 75 177.704 177.704 178.047 -0.343 19510 2482 1 5 . 1 1 75 75 ASP CA C 75 55.312 55.312 55.658 -0.346 19510 2483 1 5 . 1 1 75 75 ASP CB C 75 38.326 38.326 42.368 -4.042 19510 2484 1 5 . 1 1 75 75 ASP H H 75 8.536 8.536 7.750 0.786 19510 2485 1 5 . 1 1 76 76 LEU N N 76 115.468 115.468 122.248 -6.780 19510 2486 1 5 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.278 0.114 19510 2487 1 5 . 1 1 76 76 LEU C C 76 174.790 174.790 175.327 -0.537 19510 2488 1 5 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.715 -1.091 19510 2489 1 5 . 1 1 76 76 LEU CB C 76 39.594 39.594 40.179 -0.585 19510 2490 1 5 . 1 1 76 76 LEU H H 76 8.612 8.612 8.569 0.043 19510 2491 1 5 . 1 1 77 77 GLU N N 77 124.725 124.725 121.565 3.160 19510 2492 1 5 . 1 1 77 77 GLU HA H 77 4.343 4.343 4.161 0.182 19510 2493 1 5 . 1 1 77 77 GLU C C 77 176.953 176.953 177.660 -0.707 19510 2494 1 5 . 1 1 77 77 GLU CA C 77 57.345 57.345 57.701 -0.356 19510 2495 1 5 . 1 1 77 77 GLU CB C 77 27.555 27.555 29.366 -1.811 19510 2496 1 5 . 1 1 77 77 GLU H H 77 7.158 7.158 7.613 -0.455 19510 2497 1 5 . 1 1 78 78 GLY N N 78 118.105 118.105 114.677 3.428 19510 2498 1 5 . 1 1 78 78 GLY C C 78 173.075 173.075 174.707 -1.632 19510 2499 1 5 . 1 1 78 78 GLY CA C 78 44.269 44.269 45.476 -1.207 19510 2500 1 5 . 1 1 78 78 GLY H H 78 9.392 9.392 8.811 0.581 19510 2501 1 5 . 1 1 79 79 LYS N N 79 120.237 120.237 118.789 1.448 19510 2502 1 5 . 1 1 79 79 LYS HA H 79 4.663 4.663 4.474 0.189 19510 2503 1 5 . 1 1 79 79 LYS C C 79 175.050 175.050 174.722 0.328 19510 2504 1 5 . 1 1 79 79 LYS CA C 79 54.683 54.683 55.810 -1.127 19510 2505 1 5 . 1 1 79 79 LYS CB C 79 33.435 33.435 34.626 -1.191 19510 2506 1 5 . 1 1 79 79 LYS H H 79 8.809 8.809 8.195 0.614 19510 2507 1 5 . 1 1 80 80 ALA N N 80 121.135 121.135 121.565 -0.430 19510 2508 1 5 . 1 1 80 80 ALA HA H 80 4.893 4.893 4.672 0.221 19510 2509 1 5 . 1 1 80 80 ALA C C 80 174.051 174.051 174.990 -0.939 19510 2510 1 5 . 1 1 80 80 ALA CA C 80 50.289 50.289 52.071 -1.782 19510 2511 1 5 . 1 1 80 80 ALA CB C 80 20.483 20.483 21.529 -1.046 19510 2512 1 5 . 1 1 80 80 ALA H H 80 8.169 8.169 7.774 0.395 19510 2513 1 5 . 1 1 81 81 ASP N N 81 121.569 121.569 125.283 -3.714 19510 2514 1 5 . 1 1 81 81 ASP HA H 81 4.898 4.898 4.711 0.187 19510 2515 1 5 . 1 1 81 81 ASP CA C 81 50.397 50.397 53.423 -3.026 19510 2516 1 5 . 1 1 81 81 ASP CB C 81 40.401 40.401 41.970 -1.569 19510 2517 1 5 . 1 1 81 81 ASP H H 81 8.330 8.330 8.477 -0.147 19510 2518 1 5 . 1 1 82 82 GLU N N 82 119.843 119.843 120.877 -1.034 19510 2519 1 5 . 1 1 82 82 GLU HA H 82 4.185 4.185 3.963 0.222 19510 2520 1 5 . 1 1 82 82 GLU C C 82 177.350 177.350 178.531 -1.181 19510 2521 1 5 . 1 1 82 82 GLU CA C 82 59.676 59.676 60.975 -1.299 19510 2522 1 5 . 1 1 82 82 GLU CB C 82 27.893 27.893 29.492 -1.599 19510 2523 1 5 . 1 1 82 82 GLU H H 82 8.923 8.923 8.885 0.038 19510 2524 1 5 . 1 1 83 83 GLU N N 83 119.348 119.348 117.755 1.593 19510 2525 1 5 . 1 1 83 83 GLU HA H 83 4.177 4.177 4.053 0.124 19510 2526 1 5 . 1 1 83 83 GLU C C 83 178.794 178.794 178.915 -0.121 19510 2527 1 5 . 1 1 83 83 GLU CA C 83 59.082 59.082 59.356 -0.274 19510 2528 1 5 . 1 1 83 83 GLU CB C 83 28.879 28.879 28.906 -0.027 19510 2529 1 5 . 1 1 83 83 GLU H H 83 8.832 8.832 8.768 0.064 19510 2530 1 5 . 1 1 84 84 THR N N 84 119.892 119.892 117.142 2.750 19510 2531 1 5 . 1 1 84 84 THR HA H 84 4.140 4.140 4.072 0.068 19510 2532 1 5 . 1 1 84 84 THR C C 84 176.165 176.165 176.587 -0.422 19510 2533 1 5 . 1 1 84 84 THR CA C 84 65.721 65.721 66.390 -0.669 19510 2534 1 5 . 1 1 84 84 THR CB C 84 66.751 66.751 68.740 -1.989 19510 2535 1 5 . 1 1 84 84 THR H H 84 8.576 8.576 7.735 0.841 19510 2536 1 5 . 1 1 85 85 ILE N N 85 123.655 123.655 122.129 1.526 19510 2537 1 5 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.683 0.136 19510 2538 1 5 . 1 1 85 85 ILE C C 85 174.809 174.809 177.555 -2.746 19510 2539 1 5 . 1 1 85 85 ILE CA C 85 64.891 64.891 65.673 -0.782 19510 2540 1 5 . 1 1 85 85 ILE CB C 85 37.797 37.797 38.217 -0.420 19510 2541 1 5 . 1 1 85 85 ILE H H 85 8.572 8.572 8.607 -0.035 19510 2542 1 5 . 1 1 86 86 ARG N N 86 119.670 119.670 119.822 -0.152 19510 2543 1 5 . 1 1 86 86 ARG HA H 86 4.186 4.186 4.093 0.093 19510 2544 1 5 . 1 1 86 86 ARG CA C 86 58.766 58.766 58.276 0.490 19510 2545 1 5 . 1 1 86 86 ARG CB C 86 28.165 28.165 28.822 -0.657 19510 2546 1 5 . 1 1 86 86 ARG H H 86 9.092 9.092 8.205 0.887 19510 2547 1 5 . 1 1 87 87 ALA N N 87 121.431 121.431 121.839 -0.408 19510 2548 1 5 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.236 0.071 19510 2549 1 5 . 1 1 87 87 ALA CA C 87 53.558 53.558 53.995 -0.437 19510 2550 1 5 . 1 1 87 87 ALA CB C 87 16.382 16.382 18.977 -2.595 19510 2551 1 5 . 1 1 87 87 ALA H H 87 8.242 8.242 7.663 0.579 19510 2552 1 5 . 1 1 88 88 LYS N N 88 122.742 122.742 120.366 2.376 19510 2553 1 5 . 1 1 88 88 LYS HA H 88 4.011 4.011 3.806 0.205 19510 2554 1 5 . 1 1 88 88 LYS CA C 88 55.172 55.172 58.684 -3.512 19510 2555 1 5 . 1 1 88 88 LYS CB C 88 29.078 29.078 31.614 -2.536 19510 2556 1 5 . 1 1 88 88 LYS H H 88 8.182 8.182 8.215 -0.033 19510 2557 1 5 . 1 1 89 89 MET N N 89 118.686 118.686 114.933 3.753 19510 2558 1 5 . 1 1 89 89 MET HA H 89 3.854 3.854 4.127 -0.273 19510 2559 1 5 . 1 1 89 89 MET CA C 89 59.175 59.175 58.746 0.429 19510 2560 1 5 . 1 1 89 89 MET CB C 89 31.697 31.697 32.400 -0.703 19510 2561 1 5 . 1 1 89 89 MET H H 89 8.504 8.504 7.824 0.680 19510 2562 1 5 . 1 1 90 90 VAL N N 90 120.987 120.987 117.181 3.806 19510 2563 1 5 . 1 1 90 90 VAL HA H 90 3.853 3.853 3.934 -0.081 19510 2564 1 5 . 1 1 90 90 VAL C C 90 178.017 178.017 178.807 -0.790 19510 2565 1 5 . 1 1 90 90 VAL CA C 90 64.868 64.868 64.607 0.261 19510 2566 1 5 . 1 1 90 90 VAL CB C 90 31.054 31.054 31.381 -0.327 19510 2567 1 5 . 1 1 90 90 VAL H H 90 7.573 7.573 7.429 0.144 19510 2568 1 5 . 1 1 91 91 GLU N N 91 124.236 124.236 123.238 0.998 19510 2569 1 5 . 1 1 91 91 GLU HA H 91 3.802 3.802 4.046 -0.244 19510 2570 1 5 . 1 1 91 91 GLU C C 91 177.612 177.612 178.577 -0.965 19510 2571 1 5 . 1 1 91 91 GLU CA C 91 58.414 58.414 59.824 -1.410 19510 2572 1 5 . 1 1 91 91 GLU CB C 91 30.606 30.606 29.739 0.867 19510 2573 1 5 . 1 1 91 91 GLU H H 91 8.494 8.494 8.105 0.389 19510 2574 1 5 . 1 1 92 92 LEU N N 92 114.818 114.818 113.666 1.152 19510 2575 1 5 . 1 1 92 92 LEU HA H 92 4.336 4.336 4.615 -0.279 19510 2576 1 5 . 1 1 92 92 LEU C C 92 177.928 177.928 177.567 0.361 19510 2577 1 5 . 1 1 92 92 LEU CA C 92 56.351 56.351 54.632 1.719 19510 2578 1 5 . 1 1 92 92 LEU CB C 92 39.780 39.780 40.677 -0.897 19510 2579 1 5 . 1 1 92 92 LEU H H 92 8.833 8.833 7.640 1.193 19510 2580 1 5 . 1 1 93 93 ARG N N 93 123.398 123.398 121.875 1.523 19510 2581 1 5 . 1 1 93 93 ARG HA H 93 3.997 3.997 3.918 0.079 19510 2582 1 5 . 1 1 93 93 ARG C C 93 176.350 176.350 177.614 -1.264 19510 2583 1 5 . 1 1 93 93 ARG CA C 93 58.848 58.848 58.977 -0.129 19510 2584 1 5 . 1 1 93 93 ARG CB C 93 28.592 28.592 29.443 -0.851 19510 2585 1 5 . 1 1 93 93 ARG H H 93 7.746 7.746 7.331 0.415 19510 2586 1 5 . 1 1 94 94 ALA N N 94 122.480 122.480 119.340 3.140 19510 2587 1 5 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.214 0.047 19510 2588 1 5 . 1 1 94 94 ALA C C 94 179.805 179.805 179.843 -0.038 19510 2589 1 5 . 1 1 94 94 ALA CA C 94 54.529 54.529 54.745 -0.216 19510 2590 1 5 . 1 1 94 94 ALA CB C 94 16.423 16.423 18.005 -1.582 19510 2591 1 5 . 1 1 94 94 ALA H H 94 7.322 7.322 8.331 -1.009 19510 2592 1 5 . 1 1 95 95 THR N N 95 116.936 116.936 115.748 1.188 19510 2593 1 5 . 1 1 95 95 THR HA H 95 4.045 4.045 3.850 0.195 19510 2594 1 5 . 1 1 95 95 THR C C 95 175.007 175.007 176.355 -1.348 19510 2595 1 5 . 1 1 95 95 THR CA C 95 64.868 64.868 66.314 -1.446 19510 2596 1 5 . 1 1 95 95 THR CB C 95 67.633 67.633 68.382 -0.749 19510 2597 1 5 . 1 1 95 95 THR H H 95 8.275 8.275 8.089 0.186 19510 2598 1 5 . 1 1 96 96 ALA N N 96 123.969 123.969 123.617 0.352 19510 2599 1 5 . 1 1 96 96 ALA HA H 96 3.904 3.904 3.966 -0.062 19510 2600 1 5 . 1 1 96 96 ALA C C 96 178.184 178.184 179.646 -1.462 19510 2601 1 5 . 1 1 96 96 ALA CA C 96 54.098 54.098 55.224 -1.126 19510 2602 1 5 . 1 1 96 96 ALA CB C 96 18.118 18.118 18.431 -0.313 19510 2603 1 5 . 1 1 96 96 ALA H H 96 8.688 8.688 8.306 0.382 19510 2604 1 5 . 1 1 97 97 ARG N N 97 117.393 117.393 116.452 0.941 19510 2605 1 5 . 1 1 97 97 ARG HA H 97 3.857 3.857 4.171 -0.314 19510 2606 1 5 . 1 1 97 97 ARG C C 97 176.770 176.770 178.826 -2.056 19510 2607 1 5 . 1 1 97 97 ARG CA C 97 58.669 58.669 58.684 -0.014 19510 2608 1 5 . 1 1 97 97 ARG CB C 97 28.932 28.932 30.010 -1.078 19510 2609 1 5 . 1 1 97 97 ARG H H 97 8.073 8.073 7.803 0.270 19510 2610 1 5 . 1 1 98 98 GLU N N 98 118.029 118.029 120.713 -2.684 19510 2611 1 5 . 1 1 98 98 GLU HA H 98 4.180 4.180 4.040 0.140 19510 2612 1 5 . 1 1 98 98 GLU C C 98 178.865 178.865 178.879 -0.014 19510 2613 1 5 . 1 1 98 98 GLU CA C 98 57.867 57.867 59.554 -1.687 19510 2614 1 5 . 1 1 98 98 GLU CB C 98 27.704 27.704 29.181 -1.478 19510 2615 1 5 . 1 1 98 98 GLU H H 98 7.896 7.896 7.780 0.116 19510 2616 1 5 . 1 1 99 99 GLN N N 99 119.735 119.735 117.023 2.712 19510 2617 1 5 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.098 0.087 19510 2618 1 5 . 1 1 99 99 GLN C C 99 178.146 178.146 177.828 0.318 19510 2619 1 5 . 1 1 99 99 GLN CA C 99 57.748 57.748 58.100 -0.352 19510 2620 1 5 . 1 1 99 99 GLN CB C 99 27.529 27.529 28.748 -1.219 19510 2621 1 5 . 1 1 99 99 GLN H H 99 8.320 8.320 8.426 -0.106 19510 2622 1 5 . 1 1 100 100 ILE N N 100 119.676 119.676 116.782 2.894 19510 2623 1 5 . 1 1 100 100 ILE HA H 100 3.993 3.993 3.996 -0.003 19510 2624 1 5 . 1 1 100 100 ILE C C 100 178.315 178.315 177.840 0.475 19510 2625 1 5 . 1 1 100 100 ILE CA C 100 60.935 60.935 60.876 0.059 19510 2626 1 5 . 1 1 100 100 ILE CB C 100 34.935 34.935 38.023 -3.088 19510 2627 1 5 . 1 1 100 100 ILE H H 100 8.398 8.398 7.841 0.557 19510 2628 1 5 . 1 1 101 101 ILE N N 101 120.600 120.600 121.018 -0.418 19510 2629 1 5 . 1 1 101 101 ILE HA H 101 4.027 4.027 3.551 0.476 19510 2630 1 5 . 1 1 101 101 ILE C C 101 177.006 177.006 178.515 -1.509 19510 2631 1 5 . 1 1 101 101 ILE CA C 101 62.382 62.382 62.969 -0.587 19510 2632 1 5 . 1 1 101 101 ILE CB C 101 36.195 36.195 36.000 0.195 19510 2633 1 5 . 1 1 101 101 ILE H H 101 8.350 8.350 7.525 0.825 19510 2634 1 5 . 1 1 102 102 SER N N 102 116.172 116.172 115.027 1.145 19510 2635 1 5 . 1 1 102 102 SER HA H 102 4.589 4.589 4.273 0.316 19510 2636 1 5 . 1 1 102 102 SER C C 102 173.845 173.845 174.625 -0.780 19510 2637 1 5 . 1 1 102 102 SER CA C 102 58.735 58.735 60.550 -1.815 19510 2638 1 5 . 1 1 102 102 SER CB C 102 62.254 62.254 63.683 -1.429 19510 2639 1 5 . 1 1 102 102 SER H H 102 7.896 7.896 7.638 0.258 19510 2640 1 5 . 1 1 103 103 GLU N N 103 122.642 122.642 120.503 2.139 19510 2641 1 5 . 1 1 103 103 GLU HA H 103 4.473 4.473 4.468 0.005 19510 2642 1 5 . 1 1 103 103 GLU C C 103 175.095 175.095 174.478 0.617 19510 2643 1 5 . 1 1 103 103 GLU CA C 103 55.006 55.006 55.325 -0.319 19510 2644 1 5 . 1 1 103 103 GLU CB C 103 28.770 28.770 30.224 -1.454 19510 2645 1 5 . 1 1 103 103 GLU H H 103 7.780 7.780 7.712 0.068 19510 2646 1 6 . 1 1 4 4 PHE N N 4 122.548 122.548 122.372 0.176 19510 2647 1 6 . 1 1 4 4 PHE HA H 4 4.680 4.680 4.414 0.266 19510 2648 1 6 . 1 1 4 4 PHE CA C 4 57.087 57.087 57.633 -0.546 19510 2649 1 6 . 1 1 4 4 PHE CB C 4 38.126 38.126 38.170 -0.044 19510 2650 1 6 . 1 1 4 4 PHE H H 4 8.328 8.328 7.914 0.414 19510 2651 1 6 . 1 1 7 7 ARG N N 7 121.962 121.962 119.281 2.681 19510 2652 1 6 . 1 1 7 7 ARG HA H 7 4.265 4.265 4.656 -0.391 19510 2653 1 6 . 1 1 7 7 ARG C C 7 176.683 176.683 175.753 0.930 19510 2654 1 6 . 1 1 7 7 ARG CA C 7 56.502 56.502 55.477 1.026 19510 2655 1 6 . 1 1 7 7 ARG CB C 7 28.840 28.840 31.954 -3.114 19510 2656 1 6 . 1 1 7 7 ARG H H 7 8.339 8.339 8.507 -0.168 19510 2657 1 6 . 1 1 8 8 GLU N N 8 121.095 121.095 119.568 1.527 19510 2658 1 6 . 1 1 8 8 GLU HA H 8 4.233 4.233 4.412 -0.179 19510 2659 1 6 . 1 1 8 8 GLU C C 8 176.964 176.964 177.454 -0.490 19510 2660 1 6 . 1 1 8 8 GLU CA C 8 57.517 57.517 56.691 0.825 19510 2661 1 6 . 1 1 8 8 GLU CB C 8 27.744 27.744 30.640 -2.896 19510 2662 1 6 . 1 1 8 8 GLU H H 8 8.384 8.384 8.570 -0.186 19510 2663 1 6 . 1 1 9 9 ARG N N 9 121.320 121.320 118.865 2.455 19510 2664 1 6 . 1 1 9 9 ARG HA H 9 4.310 4.310 4.139 0.171 19510 2665 1 6 . 1 1 9 9 ARG C C 9 176.563 176.563 177.468 -0.905 19510 2666 1 6 . 1 1 9 9 ARG CA C 9 56.233 56.233 57.533 -1.300 19510 2667 1 6 . 1 1 9 9 ARG CB C 9 28.977 28.977 30.590 -1.613 19510 2668 1 6 . 1 1 9 9 ARG H H 9 8.291 8.291 8.206 0.085 19510 2669 1 6 . 1 1 10 10 ALA N N 10 123.900 123.900 123.109 0.791 19510 2670 1 6 . 1 1 10 10 ALA HA H 10 4.333 4.333 4.465 -0.132 19510 2671 1 6 . 1 1 10 10 ALA C C 10 178.129 178.129 177.318 0.811 19510 2672 1 6 . 1 1 10 10 ALA CA C 10 52.348 52.348 51.759 0.589 19510 2673 1 6 . 1 1 10 10 ALA CB C 10 17.396 17.396 16.951 0.445 19510 2674 1 6 . 1 1 10 10 ALA H H 10 8.225 8.225 8.514 -0.289 19510 2675 1 6 . 1 1 11 11 HIS N N 11 117.829 117.829 115.489 2.340 19510 2676 1 6 . 1 1 11 11 HIS HA H 11 4.740 4.740 4.498 0.242 19510 2677 1 6 . 1 1 11 11 HIS C C 11 175.013 175.013 175.200 -0.187 19510 2678 1 6 . 1 1 11 11 HIS CA C 11 55.041 55.041 55.858 -0.817 19510 2679 1 6 . 1 1 11 11 HIS CB C 11 27.391 27.391 29.432 -2.041 19510 2680 1 6 . 1 1 11 11 HIS H H 11 8.500 8.500 8.008 0.492 19510 2681 1 6 . 1 1 12 12 GLU N N 12 121.398 121.398 121.095 0.303 19510 2682 1 6 . 1 1 12 12 GLU HA H 12 4.326 4.326 3.914 0.412 19510 2683 1 6 . 1 1 12 12 GLU C C 12 176.808 176.808 176.339 0.469 19510 2684 1 6 . 1 1 12 12 GLU CA C 12 56.517 56.517 57.440 -0.923 19510 2685 1 6 . 1 1 12 12 GLU CB C 12 28.289 28.289 28.538 -0.249 19510 2686 1 6 . 1 1 12 12 GLU H H 12 8.456 8.456 8.395 0.061 19510 2687 1 6 . 1 1 13 13 ALA N N 13 124.231 124.231 125.049 -0.818 19510 2688 1 6 . 1 1 13 13 ALA HA H 13 4.309 4.309 3.901 0.408 19510 2689 1 6 . 1 1 13 13 ALA C C 13 178.197 178.197 176.809 1.388 19510 2690 1 6 . 1 1 13 13 ALA CA C 13 53.511 53.511 53.398 0.113 19510 2691 1 6 . 1 1 13 13 ALA CB C 13 17.174 17.174 17.428 -0.254 19510 2692 1 6 . 1 1 13 13 ALA H H 13 8.444 8.444 8.641 -0.197 19510 2693 1 6 . 1 1 14 14 LYS N N 14 120.159 120.159 115.528 4.631 19510 2694 1 6 . 1 1 14 14 LYS HA H 14 4.257 4.257 4.548 -0.291 19510 2695 1 6 . 1 1 14 14 LYS C C 14 176.757 176.757 177.061 -0.304 19510 2696 1 6 . 1 1 14 14 LYS CA C 14 56.461 56.461 56.504 -0.043 19510 2697 1 6 . 1 1 14 14 LYS CB C 14 31.191 31.191 33.823 -2.632 19510 2698 1 6 . 1 1 14 14 LYS H H 14 8.136 8.136 7.842 0.294 19510 2699 1 6 . 1 1 15 15 PHE N N 15 118.588 118.588 120.482 -1.894 19510 2700 1 6 . 1 1 15 15 PHE HA H 15 4.527 4.527 4.326 0.201 19510 2701 1 6 . 1 1 15 15 PHE C C 15 175.635 175.635 175.708 -0.073 19510 2702 1 6 . 1 1 15 15 PHE CA C 15 57.992 57.992 59.748 -1.756 19510 2703 1 6 . 1 1 15 15 PHE CB C 15 37.908 37.908 39.304 -1.396 19510 2704 1 6 . 1 1 15 15 PHE H H 15 7.998 7.998 7.785 0.213 19510 2705 1 6 . 1 1 16 16 ALA N N 16 122.847 122.847 120.152 2.695 19510 2706 1 6 . 1 1 16 16 ALA HA H 16 4.317 4.317 4.393 -0.076 19510 2707 1 6 . 1 1 16 16 ALA C C 16 177.641 177.641 175.848 1.793 19510 2708 1 6 . 1 1 16 16 ALA CA C 16 52.317 52.317 52.129 0.188 19510 2709 1 6 . 1 1 16 16 ALA CB C 16 17.378 17.378 18.151 -0.773 19510 2710 1 6 . 1 1 16 16 ALA H H 16 8.172 8.172 7.941 0.231 19510 2711 1 6 . 1 1 17 17 HIS N N 17 115.904 115.904 119.834 -3.930 19510 2712 1 6 . 1 1 17 17 HIS HA H 17 4.839 4.839 4.635 0.204 19510 2713 1 6 . 1 1 17 17 HIS CA C 17 54.594 54.594 56.769 -2.175 19510 2714 1 6 . 1 1 17 17 HIS CB C 17 27.532 27.532 31.928 -4.396 19510 2715 1 6 . 1 1 17 17 HIS H H 17 8.218 8.218 8.518 -0.300 19510 2716 1 6 . 1 1 18 18 ASP N N 18 121.432 121.432 121.829 -0.397 19510 2717 1 6 . 1 1 18 18 ASP HA H 18 4.758 4.758 4.899 -0.141 19510 2718 1 6 . 1 1 18 18 ASP CA C 18 53.004 53.004 53.554 -0.550 19510 2719 1 6 . 1 1 18 18 ASP CB C 18 39.571 39.571 43.163 -3.592 19510 2720 1 6 . 1 1 18 18 ASP H H 18 8.103 8.103 8.198 -0.096 19510 2721 1 6 . 1 1 19 19 ALA N N 19 126.628 126.628 123.458 3.170 19510 2722 1 6 . 1 1 19 19 ALA HA H 19 4.303 4.303 4.341 -0.038 19510 2723 1 6 . 1 1 19 19 ALA CA C 19 53.177 53.177 53.705 -0.528 19510 2724 1 6 . 1 1 19 19 ALA CB C 19 17.231 17.231 19.678 -2.447 19510 2725 1 6 . 1 1 19 19 ALA H H 19 8.588 8.588 8.543 0.045 19510 2726 1 6 . 1 1 20 20 GLU N N 20 119.826 119.826 119.274 0.552 19510 2727 1 6 . 1 1 20 20 GLU HA H 20 4.314 4.314 4.089 0.225 19510 2728 1 6 . 1 1 20 20 GLU CA C 20 57.403 57.403 59.416 -2.013 19510 2729 1 6 . 1 1 20 20 GLU CB C 20 27.780 27.780 29.352 -1.573 19510 2730 1 6 . 1 1 20 20 GLU H H 20 8.391 8.391 8.663 -0.272 19510 2731 1 6 . 1 1 21 21 LEU N N 21 122.268 122.268 116.543 5.725 19510 2732 1 6 . 1 1 21 21 LEU HA H 21 4.179 4.179 4.371 -0.192 19510 2733 1 6 . 1 1 21 21 LEU CA C 21 56.531 56.531 57.173 -0.642 19510 2734 1 6 . 1 1 21 21 LEU CB C 21 40.255 40.255 42.267 -2.012 19510 2735 1 6 . 1 1 21 21 LEU H H 21 8.134 8.134 8.220 -0.086 19510 2736 1 6 . 1 1 22 22 ASN N N 22 118.005 118.005 117.857 0.148 19510 2737 1 6 . 1 1 22 22 ASN HA H 22 4.665 4.665 4.248 0.417 19510 2738 1 6 . 1 1 22 22 ASN CA C 22 55.493 55.493 55.002 0.491 19510 2739 1 6 . 1 1 22 22 ASN CB C 22 37.084 37.084 38.020 -0.936 19510 2740 1 6 . 1 1 22 22 ASN H H 22 8.456 8.456 7.817 0.639 19510 2741 1 6 . 1 1 23 23 PHE N N 23 121.379 121.379 120.658 0.721 19510 2742 1 6 . 1 1 23 23 PHE HA H 23 4.509 4.509 4.079 0.430 19510 2743 1 6 . 1 1 23 23 PHE CA C 23 59.496 59.496 61.626 -2.130 19510 2744 1 6 . 1 1 23 23 PHE CB C 23 37.380 37.380 38.867 -1.487 19510 2745 1 6 . 1 1 23 23 PHE H H 23 8.453 8.453 8.577 -0.124 19510 2746 1 6 . 1 1 24 24 LYS N N 24 120.674 120.674 117.429 3.245 19510 2747 1 6 . 1 1 24 24 LYS HA H 24 4.191 4.191 4.055 0.136 19510 2748 1 6 . 1 1 24 24 LYS C C 24 179.309 179.309 178.869 0.440 19510 2749 1 6 . 1 1 24 24 LYS CA C 24 58.132 58.132 59.169 -1.037 19510 2750 1 6 . 1 1 24 24 LYS CB C 24 31.828 31.828 31.581 0.247 19510 2751 1 6 . 1 1 24 24 LYS H H 24 8.504 8.504 8.313 0.191 19510 2752 1 6 . 1 1 25 25 ALA N N 25 123.584 123.584 120.668 2.916 19510 2753 1 6 . 1 1 25 25 ALA HA H 25 4.146 4.146 4.137 0.009 19510 2754 1 6 . 1 1 25 25 ALA C C 25 178.243 178.243 177.880 0.363 19510 2755 1 6 . 1 1 25 25 ALA CA C 25 53.760 53.760 53.872 -0.112 19510 2756 1 6 . 1 1 25 25 ALA CB C 25 16.827 16.827 18.307 -1.480 19510 2757 1 6 . 1 1 25 25 ALA H H 25 8.841 8.841 8.144 0.697 19510 2758 1 6 . 1 1 26 26 GLU N N 26 122.239 122.239 116.684 5.555 19510 2759 1 6 . 1 1 26 26 GLU HA H 26 4.083 4.083 4.156 -0.073 19510 2760 1 6 . 1 1 26 26 GLU C C 26 177.265 177.265 175.817 1.448 19510 2761 1 6 . 1 1 26 26 GLU CA C 26 57.850 57.850 56.790 1.060 19510 2762 1 6 . 1 1 26 26 GLU CB C 26 28.891 28.891 30.588 -1.697 19510 2763 1 6 . 1 1 26 26 GLU H H 26 8.482 8.482 7.981 0.501 19510 2764 1 6 . 1 1 27 27 ALA N N 27 122.124 122.124 122.459 -0.335 19510 2765 1 6 . 1 1 27 27 ALA HA H 27 4.352 4.352 4.580 -0.228 19510 2766 1 6 . 1 1 27 27 ALA C C 27 180.552 180.552 176.048 4.504 19510 2767 1 6 . 1 1 27 27 ALA CA C 27 53.519 53.519 52.319 1.200 19510 2768 1 6 . 1 1 27 27 ALA CB C 27 16.410 16.410 19.766 -3.356 19510 2769 1 6 . 1 1 27 27 ALA H H 27 8.043 8.043 7.715 0.328 19510 2770 1 6 . 1 1 28 28 ARG N N 28 120.375 120.375 121.924 -1.549 19510 2771 1 6 . 1 1 28 28 ARG HA H 28 4.441 4.441 4.422 0.019 19510 2772 1 6 . 1 1 28 28 ARG C C 28 176.309 176.309 177.351 -1.042 19510 2773 1 6 . 1 1 28 28 ARG CA C 28 55.369 55.369 56.965 -1.596 19510 2774 1 6 . 1 1 28 28 ARG CB C 28 28.480 28.480 30.264 -1.784 19510 2775 1 6 . 1 1 28 28 ARG H H 28 8.101 8.101 8.538 -0.437 19510 2776 1 6 . 1 1 29 29 ARG N N 29 122.734 122.734 120.724 2.010 19510 2777 1 6 . 1 1 29 29 ARG HA H 29 3.743 3.743 3.983 -0.240 19510 2778 1 6 . 1 1 29 29 ARG CA C 29 58.672 58.672 59.379 -0.707 19510 2779 1 6 . 1 1 29 29 ARG CB C 29 29.051 29.051 29.063 -0.012 19510 2780 1 6 . 1 1 29 29 ARG H H 29 8.901 8.901 8.359 0.542 19510 2781 1 6 . 1 1 30 30 ASN N N 30 119.961 119.961 114.251 5.710 19510 2782 1 6 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.593 0.041 19510 2783 1 6 . 1 1 30 30 ASN C C 30 175.888 175.888 176.589 -0.701 19510 2784 1 6 . 1 1 30 30 ASN CA C 30 55.147 55.147 55.860 -0.713 19510 2785 1 6 . 1 1 30 30 ASN CB C 30 35.418 35.418 38.187 -2.769 19510 2786 1 6 . 1 1 30 30 ASN H H 30 8.429 8.429 8.341 0.088 19510 2787 1 6 . 1 1 31 31 ARG N N 31 123.400 123.400 121.672 1.728 19510 2788 1 6 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.076 0.206 19510 2789 1 6 . 1 1 31 31 ARG C C 31 177.804 177.804 178.062 -0.258 19510 2790 1 6 . 1 1 31 31 ARG CA C 31 58.132 58.132 58.779 -0.646 19510 2791 1 6 . 1 1 31 31 ARG CB C 31 27.636 27.636 29.979 -2.343 19510 2792 1 6 . 1 1 31 31 ARG H H 31 8.052 8.052 7.783 0.269 19510 2793 1 6 . 1 1 32 32 LEU N N 32 119.872 119.872 120.428 -0.556 19510 2794 1 6 . 1 1 32 32 LEU HA H 32 4.318 4.318 4.172 0.146 19510 2795 1 6 . 1 1 32 32 LEU C C 32 180.602 180.602 178.925 1.677 19510 2796 1 6 . 1 1 32 32 LEU CA C 32 56.471 56.471 57.713 -1.242 19510 2797 1 6 . 1 1 32 32 LEU CB C 32 40.558 40.558 41.820 -1.262 19510 2798 1 6 . 1 1 32 32 LEU H H 32 8.752 8.752 8.024 0.728 19510 2799 1 6 . 1 1 33 33 LEU N N 33 124.468 124.468 120.053 4.415 19510 2800 1 6 . 1 1 33 33 LEU HA H 33 4.301 4.301 3.996 0.305 19510 2801 1 6 . 1 1 33 33 LEU C C 33 177.992 177.992 178.929 -0.937 19510 2802 1 6 . 1 1 33 33 LEU CA C 33 56.482 56.482 58.100 -1.618 19510 2803 1 6 . 1 1 33 33 LEU CB C 33 41.626 41.626 41.572 0.054 19510 2804 1 6 . 1 1 33 33 LEU H H 33 9.273 9.273 7.658 1.615 19510 2805 1 6 . 1 1 34 34 GLY N N 34 109.045 109.045 104.764 4.281 19510 2806 1 6 . 1 1 34 34 GLY C C 34 174.530 174.530 175.646 -1.116 19510 2807 1 6 . 1 1 34 34 GLY CA C 34 45.447 45.447 47.139 -1.692 19510 2808 1 6 . 1 1 34 34 GLY H H 34 8.907 8.907 8.412 0.495 19510 2809 1 6 . 1 1 35 35 GLU N N 35 123.414 123.414 122.379 1.035 19510 2810 1 6 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.148 0.029 19510 2811 1 6 . 1 1 35 35 GLU C C 35 178.866 178.866 178.828 0.038 19510 2812 1 6 . 1 1 35 35 GLU CA C 35 59.564 59.564 58.842 0.722 19510 2813 1 6 . 1 1 35 35 GLU CB C 35 27.692 27.692 29.529 -1.837 19510 2814 1 6 . 1 1 35 35 GLU H H 35 8.935 8.935 7.770 1.165 19510 2815 1 6 . 1 1 36 36 TRP N N 36 124.774 124.774 122.489 2.285 19510 2816 1 6 . 1 1 36 36 TRP HA H 36 4.604 4.604 4.270 0.334 19510 2817 1 6 . 1 1 36 36 TRP C C 36 177.618 177.618 177.842 -0.224 19510 2818 1 6 . 1 1 36 36 TRP CA C 36 58.867 58.867 60.801 -1.934 19510 2819 1 6 . 1 1 36 36 TRP CB C 36 26.021 26.021 29.299 -3.279 19510 2820 1 6 . 1 1 36 36 TRP H H 36 8.531 8.531 7.889 0.642 19510 2821 1 6 . 1 1 37 37 ALA N N 37 123.777 123.777 120.811 2.966 19510 2822 1 6 . 1 1 37 37 ALA HA H 37 3.403 3.403 3.133 0.270 19510 2823 1 6 . 1 1 37 37 ALA C C 37 177.427 177.427 179.156 -1.729 19510 2824 1 6 . 1 1 37 37 ALA CA C 37 53.148 53.148 54.319 -1.171 19510 2825 1 6 . 1 1 37 37 ALA CB C 37 18.440 18.440 17.896 0.544 19510 2826 1 6 . 1 1 37 37 ALA H H 37 9.141 9.141 7.840 1.301 19510 2827 1 6 . 1 1 38 38 ALA N N 38 119.259 119.259 121.231 -1.972 19510 2828 1 6 . 1 1 38 38 ALA HA H 38 3.523 3.523 3.600 -0.077 19510 2829 1 6 . 1 1 38 38 ALA C C 38 178.670 178.670 179.542 -0.872 19510 2830 1 6 . 1 1 38 38 ALA CA C 38 53.882 53.882 55.285 -1.403 19510 2831 1 6 . 1 1 38 38 ALA CB C 38 17.083 17.083 18.172 -1.089 19510 2832 1 6 . 1 1 38 38 ALA H H 38 8.788 8.788 8.624 0.164 19510 2833 1 6 . 1 1 39 39 GLY N N 39 104.011 104.011 107.274 -3.263 19510 2834 1 6 . 1 1 39 39 GLY C C 39 177.232 177.232 176.884 0.348 19510 2835 1 6 . 1 1 39 39 GLY CA C 39 45.519 45.519 46.989 -1.470 19510 2836 1 6 . 1 1 39 39 GLY H H 39 7.756 7.756 7.976 -0.220 19510 2837 1 6 . 1 1 40 40 LEU N N 40 125.340 125.340 122.201 3.139 19510 2838 1 6 . 1 1 40 40 LEU HA H 40 4.111 4.111 3.939 0.172 19510 2839 1 6 . 1 1 40 40 LEU C C 40 178.203 178.203 178.015 0.188 19510 2840 1 6 . 1 1 40 40 LEU CA C 40 56.123 56.123 57.349 -1.226 19510 2841 1 6 . 1 1 40 40 LEU CB C 40 40.764 40.764 41.728 -0.965 19510 2842 1 6 . 1 1 40 40 LEU H H 40 7.511 7.511 7.278 0.233 19510 2843 1 6 . 1 1 41 41 LEU N N 41 117.234 117.234 116.473 0.761 19510 2844 1 6 . 1 1 41 41 LEU HA H 41 4.139 4.139 4.210 -0.071 19510 2845 1 6 . 1 1 41 41 LEU C C 41 176.119 176.119 177.438 -1.319 19510 2846 1 6 . 1 1 41 41 LEU CA C 41 53.213 53.213 54.461 -1.248 19510 2847 1 6 . 1 1 41 41 LEU CB C 41 41.092 41.092 42.078 -0.986 19510 2848 1 6 . 1 1 41 41 LEU H H 41 7.692 7.692 7.398 0.294 19510 2849 1 6 . 1 1 42 42 GLY N N 42 109.595 109.595 107.464 2.131 19510 2850 1 6 . 1 1 42 42 GLY C C 42 173.775 173.775 174.069 -0.294 19510 2851 1 6 . 1 1 42 42 GLY CA C 42 44.409 44.409 45.299 -0.890 19510 2852 1 6 . 1 1 42 42 GLY H H 42 7.896 7.896 7.758 0.138 19510 2853 1 6 . 1 1 43 43 LYS N N 43 119.965 119.965 122.633 -2.668 19510 2854 1 6 . 1 1 43 43 LYS HA H 43 4.737 4.737 4.390 0.347 19510 2855 1 6 . 1 1 43 43 LYS C C 43 175.246 175.246 175.486 -0.240 19510 2856 1 6 . 1 1 43 43 LYS CA C 43 54.189 54.189 55.750 -1.561 19510 2857 1 6 . 1 1 43 43 LYS CB C 43 33.208 33.208 33.005 0.203 19510 2858 1 6 . 1 1 43 43 LYS H H 43 8.104 8.104 8.031 0.073 19510 2859 1 6 . 1 1 44 44 THR N N 44 114.199 114.199 113.153 1.046 19510 2860 1 6 . 1 1 44 44 THR HA H 44 4.773 4.773 4.556 0.217 19510 2861 1 6 . 1 1 44 44 THR C C 44 174.392 174.392 175.002 -0.610 19510 2862 1 6 . 1 1 44 44 THR CA C 44 58.348 58.348 59.947 -1.599 19510 2863 1 6 . 1 1 44 44 THR CB C 44 70.921 70.921 71.621 -0.700 19510 2864 1 6 . 1 1 44 44 THR H H 44 8.958 8.958 8.221 0.737 19510 2865 1 6 . 1 1 45 45 GLY N N 45 109.657 109.657 110.073 -0.416 19510 2866 1 6 . 1 1 45 45 GLY C C 45 175.330 175.330 175.188 0.142 19510 2867 1 6 . 1 1 45 45 GLY CA C 45 45.315 45.315 46.253 -0.938 19510 2868 1 6 . 1 1 45 45 GLY H H 45 8.885 8.885 8.474 0.411 19510 2869 1 6 . 1 1 46 46 ASP N N 46 128.403 128.403 122.182 6.221 19510 2870 1 6 . 1 1 46 46 ASP HA H 46 4.561 4.561 4.520 0.041 19510 2871 1 6 . 1 1 46 46 ASP C C 46 177.343 177.343 178.159 -0.816 19510 2872 1 6 . 1 1 46 46 ASP CA C 46 55.829 55.829 56.892 -1.062 19510 2873 1 6 . 1 1 46 46 ASP CB C 46 39.039 39.039 40.978 -1.939 19510 2874 1 6 . 1 1 46 46 ASP H H 46 9.318 9.318 8.538 0.780 19510 2875 1 6 . 1 1 47 47 ASP N N 47 121.367 121.367 119.793 1.574 19510 2876 1 6 . 1 1 47 47 ASP HA H 47 4.668 4.668 4.448 0.220 19510 2877 1 6 . 1 1 47 47 ASP CA C 47 55.545 55.545 57.581 -2.036 19510 2878 1 6 . 1 1 47 47 ASP CB C 47 39.415 39.415 40.825 -1.411 19510 2879 1 6 . 1 1 47 47 ASP H H 47 8.521 8.521 7.966 0.555 19510 2880 1 6 . 1 1 48 48 ALA N N 48 123.210 123.210 122.281 0.929 19510 2881 1 6 . 1 1 48 48 ALA HA H 48 3.940 3.940 4.149 -0.209 19510 2882 1 6 . 1 1 48 48 ALA CA C 48 53.331 53.331 55.123 -1.792 19510 2883 1 6 . 1 1 48 48 ALA CB C 48 16.036 16.036 18.810 -2.774 19510 2884 1 6 . 1 1 48 48 ALA H H 48 7.262 7.262 7.432 -0.170 19510 2885 1 6 . 1 1 49 49 ARG N N 49 120.088 120.088 119.060 1.028 19510 2886 1 6 . 1 1 49 49 ARG HA H 49 4.126 4.126 4.014 0.112 19510 2887 1 6 . 1 1 49 49 ARG CA C 49 57.876 57.876 59.205 -1.329 19510 2888 1 6 . 1 1 49 49 ARG CB C 49 28.774 28.774 30.074 -1.300 19510 2889 1 6 . 1 1 49 49 ARG H H 49 7.805 7.805 7.869 -0.064 19510 2890 1 6 . 1 1 50 50 ALA N N 50 121.061 121.061 121.427 -0.366 19510 2891 1 6 . 1 1 50 50 ALA HA H 50 4.218 4.218 4.060 0.158 19510 2892 1 6 . 1 1 50 50 ALA CA C 50 53.399 53.399 54.694 -1.295 19510 2893 1 6 . 1 1 50 50 ALA CB C 50 16.672 16.672 18.016 -1.344 19510 2894 1 6 . 1 1 50 50 ALA H H 50 8.387 8.387 8.468 -0.081 19510 2895 1 6 . 1 1 51 51 TYR N N 51 119.264 119.264 121.043 -1.779 19510 2896 1 6 . 1 1 51 51 TYR HA H 51 4.231 4.231 4.093 0.138 19510 2897 1 6 . 1 1 51 51 TYR C C 51 178.335 178.335 177.274 1.061 19510 2898 1 6 . 1 1 51 51 TYR CA C 51 60.493 60.493 60.469 0.024 19510 2899 1 6 . 1 1 51 51 TYR CB C 51 37.094 37.094 38.359 -1.265 19510 2900 1 6 . 1 1 51 51 TYR H H 51 8.095 8.095 7.939 0.156 19510 2901 1 6 . 1 1 52 52 ALA N N 52 124.002 124.002 119.983 4.019 19510 2902 1 6 . 1 1 52 52 ALA HA H 52 3.899 3.899 3.819 0.080 19510 2903 1 6 . 1 1 52 52 ALA C C 52 178.352 178.352 179.363 -1.011 19510 2904 1 6 . 1 1 52 52 ALA CA C 52 54.394 54.394 54.019 0.375 19510 2905 1 6 . 1 1 52 52 ALA CB C 52 16.369 16.369 18.075 -1.706 19510 2906 1 6 . 1 1 52 52 ALA H H 52 8.651 8.651 8.331 0.320 19510 2907 1 6 . 1 1 53 53 LEU N N 53 116.593 116.593 117.655 -1.062 19510 2908 1 6 . 1 1 53 53 LEU HA H 53 4.301 4.301 4.038 0.263 19510 2909 1 6 . 1 1 53 53 LEU C C 53 177.452 177.452 178.240 -0.788 19510 2910 1 6 . 1 1 53 53 LEU CA C 53 55.412 55.412 56.825 -1.413 19510 2911 1 6 . 1 1 53 53 LEU CB C 53 40.510 40.510 41.643 -1.133 19510 2912 1 6 . 1 1 53 53 LEU H H 53 7.664 7.664 7.422 0.242 19510 2913 1 6 . 1 1 54 54 THR N N 54 110.998 110.998 111.581 -0.583 19510 2914 1 6 . 1 1 54 54 THR HA H 54 4.401 4.401 4.405 -0.004 19510 2915 1 6 . 1 1 54 54 THR CA C 54 61.997 61.997 61.722 0.275 19510 2916 1 6 . 1 1 54 54 THR CB C 54 67.988 67.988 69.952 -1.964 19510 2917 1 6 . 1 1 54 54 THR H H 54 7.962 7.962 7.516 0.446 19510 2918 1 6 . 1 1 55 55 VAL N N 55 123.907 123.907 120.522 3.385 19510 2919 1 6 . 1 1 55 55 VAL HA H 55 3.869 3.869 3.977 -0.108 19510 2920 1 6 . 1 1 55 55 VAL CA C 55 62.373 62.373 62.312 0.062 19510 2921 1 6 . 1 1 55 55 VAL CB C 55 29.037 29.037 32.331 -3.294 19510 2922 1 6 . 1 1 55 55 VAL H H 55 7.217 7.217 7.381 -0.164 19510 2923 1 6 . 1 1 56 56 VAL N N 56 119.176 119.176 119.440 -0.264 19510 2924 1 6 . 1 1 56 56 VAL HA H 56 4.300 4.300 4.352 -0.052 19510 2925 1 6 . 1 1 56 56 VAL CA C 56 55.363 55.363 61.309 -5.946 19510 2926 1 6 . 1 1 56 56 VAL CB C 56 32.466 32.466 31.917 0.549 19510 2927 1 6 . 1 1 56 56 VAL H H 56 7.474 7.474 7.444 0.030 19510 2928 1 6 . 1 1 57 57 THR N N 57 114.951 114.951 120.354 -5.403 19510 2929 1 6 . 1 1 57 57 THR HA H 57 4.509 4.509 4.561 -0.052 19510 2930 1 6 . 1 1 57 57 THR CA C 57 60.698 60.698 60.815 -0.117 19510 2931 1 6 . 1 1 57 57 THR CB C 57 68.177 68.177 70.159 -1.982 19510 2932 1 6 . 1 1 57 57 THR H H 57 7.992 7.992 8.408 -0.416 19510 2933 1 6 . 1 1 58 58 SER N N 58 119.820 119.820 116.138 3.682 19510 2934 1 6 . 1 1 58 58 SER HA H 58 4.554 4.554 4.784 -0.230 19510 2935 1 6 . 1 1 58 58 SER CA C 58 57.409 57.409 59.095 -1.686 19510 2936 1 6 . 1 1 58 58 SER CB C 58 62.399 62.399 65.103 -2.704 19510 2937 1 6 . 1 1 58 58 SER H H 58 8.473 8.473 8.278 0.195 19510 2938 1 6 . 1 1 59 59 ASP N N 59 122.199 122.199 124.596 -2.397 19510 2939 1 6 . 1 1 59 59 ASP HA H 59 4.762 4.762 4.953 -0.191 19510 2940 1 6 . 1 1 59 59 ASP C C 59 175.459 175.459 174.429 1.030 19510 2941 1 6 . 1 1 59 59 ASP CA C 59 52.469 52.469 54.409 -1.940 19510 2942 1 6 . 1 1 59 59 ASP CB C 59 39.455 39.455 42.524 -3.069 19510 2943 1 6 . 1 1 59 59 ASP H H 59 8.285 8.285 8.356 -0.071 19510 2944 1 6 . 1 1 60 60 PHE HA H 60 4.182 4.182 4.591 -0.409 19510 2945 1 6 . 1 1 60 60 PHE CA C 60 59.253 59.253 58.349 0.904 19510 2946 1 6 . 1 1 60 60 PHE CB C 60 35.163 35.163 41.933 -6.770 19510 2947 1 6 . 1 1 63 63 PRO HA H 63 4.606 4.606 4.484 0.122 19510 2948 1 6 . 1 1 63 63 PRO CA C 63 55.716 55.716 63.136 -7.420 19510 2949 1 6 . 1 1 63 63 PRO CB C 63 30.732 30.732 32.459 -1.727 19510 2950 1 6 . 1 1 64 64 GLY N N 64 110.382 110.382 109.387 0.995 19510 2951 1 6 . 1 1 64 64 GLY CA C 64 44.280 44.280 45.563 -1.283 19510 2952 1 6 . 1 1 64 64 GLY H H 64 8.706 8.706 7.894 0.812 19510 2953 1 6 . 1 1 65 65 ASP N N 65 121.977 121.977 121.780 0.197 19510 2954 1 6 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.760 -0.097 19510 2955 1 6 . 1 1 65 65 ASP CA C 65 55.765 55.765 54.091 1.674 19510 2956 1 6 . 1 1 65 65 ASP CB C 65 39.579 39.579 42.478 -2.899 19510 2957 1 6 . 1 1 65 65 ASP H H 65 8.661 8.661 8.595 0.066 19510 2958 1 6 . 1 1 66 66 GLU N N 66 120.065 120.065 119.380 0.685 19510 2959 1 6 . 1 1 66 66 GLU HA H 66 4.437 4.437 4.657 -0.220 19510 2960 1 6 . 1 1 66 66 GLU CA C 66 57.520 57.520 55.703 1.817 19510 2961 1 6 . 1 1 66 66 GLU CB C 66 27.598 27.598 32.059 -4.461 19510 2962 1 6 . 1 1 66 66 GLU H H 66 8.643 8.643 7.984 0.659 19510 2963 1 6 . 1 1 67 67 ASP N N 67 120.033 120.033 121.403 -1.370 19510 2964 1 6 . 1 1 67 67 ASP HA H 67 4.609 4.609 4.843 -0.234 19510 2965 1 6 . 1 1 67 67 ASP CA C 67 55.601 55.601 55.197 0.404 19510 2966 1 6 . 1 1 67 67 ASP CB C 67 39.106 39.106 42.442 -3.336 19510 2967 1 6 . 1 1 67 67 ASP H H 67 8.272 8.272 8.629 -0.357 19510 2968 1 6 . 1 1 68 68 VAL N N 68 123.206 123.206 120.672 2.534 19510 2969 1 6 . 1 1 68 68 VAL HA H 68 3.817 3.817 4.019 -0.202 19510 2970 1 6 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.369 0.346 19510 2971 1 6 . 1 1 68 68 VAL CB C 68 30.705 30.705 31.941 -1.236 19510 2972 1 6 . 1 1 68 68 VAL H H 68 8.045 8.045 8.405 -0.360 19510 2973 1 6 . 1 1 69 69 PHE N N 69 120.600 120.600 122.109 -1.509 19510 2974 1 6 . 1 1 69 69 PHE HA H 69 4.158 4.158 4.197 -0.039 19510 2975 1 6 . 1 1 69 69 PHE CA C 69 61.013 61.013 61.959 -0.946 19510 2976 1 6 . 1 1 69 69 PHE CB C 69 37.455 37.455 39.103 -1.648 19510 2977 1 6 . 1 1 69 69 PHE H H 69 8.488 8.488 8.561 -0.073 19510 2978 1 6 . 1 1 70 70 ARG N N 70 117.820 117.820 119.323 -1.503 19510 2979 1 6 . 1 1 70 70 ARG HA H 70 3.755 3.755 3.749 0.006 19510 2980 1 6 . 1 1 70 70 ARG C C 70 178.813 178.813 178.427 0.386 19510 2981 1 6 . 1 1 70 70 ARG CA C 70 58.184 58.184 60.275 -2.091 19510 2982 1 6 . 1 1 70 70 ARG CB C 70 28.899 28.899 29.837 -0.938 19510 2983 1 6 . 1 1 70 70 ARG H H 70 8.611 8.611 8.621 -0.010 19510 2984 1 6 . 1 1 71 71 LYS N N 71 121.726 121.726 118.482 3.244 19510 2985 1 6 . 1 1 71 71 LYS HA H 71 4.253 4.253 4.117 0.136 19510 2986 1 6 . 1 1 71 71 LYS C C 71 177.020 177.020 179.145 -2.125 19510 2987 1 6 . 1 1 71 71 LYS CA C 71 58.490 58.490 58.855 -0.365 19510 2988 1 6 . 1 1 71 71 LYS CB C 71 31.216 31.216 31.969 -0.753 19510 2989 1 6 . 1 1 71 71 LYS H H 71 7.686 7.686 7.569 0.117 19510 2990 1 6 . 1 1 72 72 LEU N N 72 119.355 119.355 121.115 -1.760 19510 2991 1 6 . 1 1 72 72 LEU HA H 72 4.051 4.051 4.055 -0.004 19510 2992 1 6 . 1 1 72 72 LEU C C 72 177.378 177.378 178.914 -1.536 19510 2993 1 6 . 1 1 72 72 LEU CA C 72 56.317 56.317 58.299 -1.982 19510 2994 1 6 . 1 1 72 72 LEU CB C 72 41.148 41.148 42.001 -0.853 19510 2995 1 6 . 1 1 72 72 LEU H H 72 8.215 8.215 7.790 0.425 19510 2996 1 6 . 1 1 73 73 ALA N N 73 121.106 121.106 120.241 0.865 19510 2997 1 6 . 1 1 73 73 ALA HA H 73 3.767 3.767 3.837 -0.070 19510 2998 1 6 . 1 1 73 73 ALA C C 73 179.644 179.644 178.673 0.971 19510 2999 1 6 . 1 1 73 73 ALA CA C 73 53.263 53.263 54.334 -1.071 19510 3000 1 6 . 1 1 73 73 ALA CB C 73 15.930 15.930 17.669 -1.739 19510 3001 1 6 . 1 1 73 73 ALA H H 73 9.143 9.143 8.305 0.838 19510 3002 1 6 . 1 1 74 74 ALA N N 74 119.383 119.383 120.773 -1.390 19510 3003 1 6 . 1 1 74 74 ALA HA H 74 4.384 4.384 3.950 0.434 19510 3004 1 6 . 1 1 74 74 ALA C C 74 179.752 179.752 179.987 -0.235 19510 3005 1 6 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.501 -0.977 19510 3006 1 6 . 1 1 74 74 ALA CB C 74 17.094 17.094 18.363 -1.268 19510 3007 1 6 . 1 1 74 74 ALA H H 74 7.403 7.403 7.807 -0.404 19510 3008 1 6 . 1 1 75 75 ASP N N 75 120.226 120.226 120.263 -0.037 19510 3009 1 6 . 1 1 75 75 ASP HA H 75 4.523 4.523 4.430 0.093 19510 3010 1 6 . 1 1 75 75 ASP C C 75 177.704 177.704 177.511 0.193 19510 3011 1 6 . 1 1 75 75 ASP CA C 75 55.312 55.312 57.065 -1.753 19510 3012 1 6 . 1 1 75 75 ASP CB C 75 38.326 38.326 41.367 -3.041 19510 3013 1 6 . 1 1 75 75 ASP H H 75 8.536 8.536 7.975 0.561 19510 3014 1 6 . 1 1 76 76 LEU N N 76 115.468 115.468 118.467 -2.999 19510 3015 1 6 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.227 0.165 19510 3016 1 6 . 1 1 76 76 LEU C C 76 174.790 174.790 175.781 -0.991 19510 3017 1 6 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.527 -0.903 19510 3018 1 6 . 1 1 76 76 LEU CB C 76 39.594 39.594 40.444 -0.850 19510 3019 1 6 . 1 1 76 76 LEU H H 76 8.612 8.612 8.092 0.520 19510 3020 1 6 . 1 1 77 77 GLU N N 77 124.725 124.725 121.781 2.944 19510 3021 1 6 . 1 1 77 77 GLU HA H 77 4.343 4.343 4.071 0.272 19510 3022 1 6 . 1 1 77 77 GLU C C 77 176.953 176.953 177.348 -0.395 19510 3023 1 6 . 1 1 77 77 GLU CA C 77 57.345 57.345 57.905 -0.560 19510 3024 1 6 . 1 1 77 77 GLU CB C 77 27.555 27.555 29.423 -1.868 19510 3025 1 6 . 1 1 77 77 GLU H H 77 7.158 7.158 7.242 -0.084 19510 3026 1 6 . 1 1 78 78 GLY N N 78 118.105 118.105 113.370 4.735 19510 3027 1 6 . 1 1 78 78 GLY C C 78 173.075 173.075 174.891 -1.816 19510 3028 1 6 . 1 1 78 78 GLY CA C 78 44.269 44.269 45.624 -1.355 19510 3029 1 6 . 1 1 78 78 GLY H H 78 9.392 9.392 8.676 0.716 19510 3030 1 6 . 1 1 79 79 LYS N N 79 120.237 120.237 118.517 1.720 19510 3031 1 6 . 1 1 79 79 LYS HA H 79 4.663 4.663 4.555 0.108 19510 3032 1 6 . 1 1 79 79 LYS C C 79 175.050 175.050 174.596 0.454 19510 3033 1 6 . 1 1 79 79 LYS CA C 79 54.683 54.683 55.779 -1.096 19510 3034 1 6 . 1 1 79 79 LYS CB C 79 33.435 33.435 33.913 -0.478 19510 3035 1 6 . 1 1 79 79 LYS H H 79 8.809 8.809 8.347 0.462 19510 3036 1 6 . 1 1 80 80 ALA N N 80 121.135 121.135 121.101 0.034 19510 3037 1 6 . 1 1 80 80 ALA HA H 80 4.893 4.893 4.780 0.113 19510 3038 1 6 . 1 1 80 80 ALA C C 80 174.051 174.051 174.510 -0.459 19510 3039 1 6 . 1 1 80 80 ALA CA C 80 50.289 50.289 51.508 -1.219 19510 3040 1 6 . 1 1 80 80 ALA CB C 80 20.483 20.483 21.410 -0.927 19510 3041 1 6 . 1 1 80 80 ALA H H 80 8.169 8.169 7.543 0.626 19510 3042 1 6 . 1 1 81 81 ASP N N 81 121.569 121.569 118.300 3.269 19510 3043 1 6 . 1 1 81 81 ASP HA H 81 4.898 4.898 5.084 -0.186 19510 3044 1 6 . 1 1 81 81 ASP CA C 81 50.397 50.397 53.434 -3.037 19510 3045 1 6 . 1 1 81 81 ASP CB C 81 40.401 40.401 43.880 -3.479 19510 3046 1 6 . 1 1 81 81 ASP H H 81 8.330 8.330 8.434 -0.104 19510 3047 1 6 . 1 1 82 82 GLU N N 82 119.843 119.843 121.529 -1.686 19510 3048 1 6 . 1 1 82 82 GLU HA H 82 4.185 4.185 3.994 0.191 19510 3049 1 6 . 1 1 82 82 GLU C C 82 177.350 177.350 178.326 -0.976 19510 3050 1 6 . 1 1 82 82 GLU CA C 82 59.676 59.676 60.682 -1.006 19510 3051 1 6 . 1 1 82 82 GLU CB C 82 27.893 27.893 29.503 -1.610 19510 3052 1 6 . 1 1 82 82 GLU H H 82 8.923 8.923 8.998 -0.075 19510 3053 1 6 . 1 1 83 83 GLU N N 83 119.348 119.348 116.162 3.186 19510 3054 1 6 . 1 1 83 83 GLU HA H 83 4.177 4.177 4.208 -0.031 19510 3055 1 6 . 1 1 83 83 GLU C C 83 178.794 178.794 177.932 0.862 19510 3056 1 6 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.787 0.295 19510 3057 1 6 . 1 1 83 83 GLU CB C 83 28.879 28.879 28.924 -0.045 19510 3058 1 6 . 1 1 83 83 GLU H H 83 8.832 8.832 8.846 -0.014 19510 3059 1 6 . 1 1 84 84 THR N N 84 119.892 119.892 116.138 3.754 19510 3060 1 6 . 1 1 84 84 THR HA H 84 4.140 4.140 4.208 -0.068 19510 3061 1 6 . 1 1 84 84 THR C C 84 176.165 176.165 176.213 -0.048 19510 3062 1 6 . 1 1 84 84 THR CA C 84 65.721 65.721 65.716 0.005 19510 3063 1 6 . 1 1 84 84 THR CB C 84 66.751 66.751 69.312 -2.561 19510 3064 1 6 . 1 1 84 84 THR H H 84 8.576 8.576 7.172 1.404 19510 3065 1 6 . 1 1 85 85 ILE N N 85 123.655 123.655 122.802 0.853 19510 3066 1 6 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.604 0.215 19510 3067 1 6 . 1 1 85 85 ILE C C 85 174.809 174.809 177.392 -2.583 19510 3068 1 6 . 1 1 85 85 ILE CA C 85 64.891 64.891 65.603 -0.713 19510 3069 1 6 . 1 1 85 85 ILE CB C 85 37.797 37.797 38.133 -0.336 19510 3070 1 6 . 1 1 85 85 ILE H H 85 8.572 8.572 8.784 -0.212 19510 3071 1 6 . 1 1 86 86 ARG N N 86 119.670 119.670 119.840 -0.170 19510 3072 1 6 . 1 1 86 86 ARG HA H 86 4.186 4.186 3.945 0.241 19510 3073 1 6 . 1 1 86 86 ARG CA C 86 58.766 58.766 58.724 0.042 19510 3074 1 6 . 1 1 86 86 ARG CB C 86 28.165 28.165 29.638 -1.473 19510 3075 1 6 . 1 1 86 86 ARG H H 86 9.092 9.092 8.229 0.863 19510 3076 1 6 . 1 1 87 87 ALA N N 87 121.431 121.431 121.146 0.285 19510 3077 1 6 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.326 -0.019 19510 3078 1 6 . 1 1 87 87 ALA CA C 87 53.558 53.558 53.916 -0.358 19510 3079 1 6 . 1 1 87 87 ALA CB C 87 16.382 16.382 19.131 -2.749 19510 3080 1 6 . 1 1 87 87 ALA H H 87 8.242 8.242 7.664 0.578 19510 3081 1 6 . 1 1 88 88 LYS N N 88 122.742 122.742 119.737 3.005 19510 3082 1 6 . 1 1 88 88 LYS HA H 88 4.011 4.011 3.814 0.197 19510 3083 1 6 . 1 1 88 88 LYS CA C 88 55.172 55.172 58.958 -3.786 19510 3084 1 6 . 1 1 88 88 LYS CB C 88 29.078 29.078 31.898 -2.820 19510 3085 1 6 . 1 1 88 88 LYS H H 88 8.182 8.182 8.069 0.114 19510 3086 1 6 . 1 1 89 89 MET N N 89 118.686 118.686 115.697 2.989 19510 3087 1 6 . 1 1 89 89 MET HA H 89 3.854 3.854 4.171 -0.317 19510 3088 1 6 . 1 1 89 89 MET CA C 89 59.175 59.175 58.252 0.923 19510 3089 1 6 . 1 1 89 89 MET CB C 89 31.697 31.697 32.276 -0.579 19510 3090 1 6 . 1 1 89 89 MET H H 89 8.504 8.504 7.668 0.836 19510 3091 1 6 . 1 1 90 90 VAL N N 90 120.987 120.987 116.757 4.230 19510 3092 1 6 . 1 1 90 90 VAL HA H 90 3.853 3.853 3.879 -0.026 19510 3093 1 6 . 1 1 90 90 VAL C C 90 178.017 178.017 178.072 -0.055 19510 3094 1 6 . 1 1 90 90 VAL CA C 90 64.868 64.868 64.860 0.008 19510 3095 1 6 . 1 1 90 90 VAL CB C 90 31.054 31.054 31.495 -0.441 19510 3096 1 6 . 1 1 90 90 VAL H H 90 7.573 7.573 7.738 -0.165 19510 3097 1 6 . 1 1 91 91 GLU N N 91 124.236 124.236 120.469 3.767 19510 3098 1 6 . 1 1 91 91 GLU HA H 91 3.802 3.802 4.045 -0.243 19510 3099 1 6 . 1 1 91 91 GLU C C 91 177.612 177.612 179.337 -1.725 19510 3100 1 6 . 1 1 91 91 GLU CA C 91 58.414 58.414 59.157 -0.743 19510 3101 1 6 . 1 1 91 91 GLU CB C 91 30.606 30.606 29.368 1.238 19510 3102 1 6 . 1 1 91 91 GLU H H 91 8.494 8.494 7.343 1.151 19510 3103 1 6 . 1 1 92 92 LEU N N 92 114.818 114.818 118.744 -3.926 19510 3104 1 6 . 1 1 92 92 LEU HA H 92 4.336 4.336 4.345 -0.009 19510 3105 1 6 . 1 1 92 92 LEU C C 92 177.928 177.928 177.191 0.737 19510 3106 1 6 . 1 1 92 92 LEU CA C 92 56.351 56.351 54.353 1.998 19510 3107 1 6 . 1 1 92 92 LEU CB C 92 39.780 39.780 38.468 1.312 19510 3108 1 6 . 1 1 92 92 LEU H H 92 8.833 8.833 7.812 1.021 19510 3109 1 6 . 1 1 93 93 ARG N N 93 123.398 123.398 120.540 2.858 19510 3110 1 6 . 1 1 93 93 ARG HA H 93 3.997 3.997 4.029 -0.032 19510 3111 1 6 . 1 1 93 93 ARG C C 93 176.350 176.350 177.391 -1.041 19510 3112 1 6 . 1 1 93 93 ARG CA C 93 58.848 58.848 58.444 0.404 19510 3113 1 6 . 1 1 93 93 ARG CB C 93 28.592 28.592 29.027 -0.435 19510 3114 1 6 . 1 1 93 93 ARG H H 93 7.746 7.746 8.111 -0.365 19510 3115 1 6 . 1 1 94 94 ALA N N 94 122.480 122.480 121.112 1.368 19510 3116 1 6 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.446 -0.185 19510 3117 1 6 . 1 1 94 94 ALA C C 94 179.805 179.805 178.940 0.865 19510 3118 1 6 . 1 1 94 94 ALA CA C 94 54.529 54.529 54.267 0.262 19510 3119 1 6 . 1 1 94 94 ALA CB C 94 16.423 16.423 18.322 -1.899 19510 3120 1 6 . 1 1 94 94 ALA H H 94 7.322 7.322 8.226 -0.904 19510 3121 1 6 . 1 1 95 95 THR N N 95 116.936 116.936 116.685 0.251 19510 3122 1 6 . 1 1 95 95 THR HA H 95 4.045 4.045 3.869 0.175 19510 3123 1 6 . 1 1 95 95 THR C C 95 175.007 175.007 176.378 -1.371 19510 3124 1 6 . 1 1 95 95 THR CA C 95 64.868 64.868 66.747 -1.879 19510 3125 1 6 . 1 1 95 95 THR CB C 95 67.633 67.633 68.243 -0.610 19510 3126 1 6 . 1 1 95 95 THR H H 95 8.275 8.275 8.014 0.261 19510 3127 1 6 . 1 1 96 96 ALA N N 96 123.969 123.969 124.044 -0.075 19510 3128 1 6 . 1 1 96 96 ALA HA H 96 3.904 3.904 3.967 -0.063 19510 3129 1 6 . 1 1 96 96 ALA C C 96 178.184 178.184 179.197 -1.013 19510 3130 1 6 . 1 1 96 96 ALA CA C 96 54.098 54.098 55.149 -1.051 19510 3131 1 6 . 1 1 96 96 ALA CB C 96 18.118 18.118 18.294 -0.176 19510 3132 1 6 . 1 1 96 96 ALA H H 96 8.688 8.688 8.315 0.373 19510 3133 1 6 . 1 1 97 97 ARG N N 97 117.393 117.393 119.364 -1.971 19510 3134 1 6 . 1 1 97 97 ARG HA H 97 3.857 3.857 4.112 -0.255 19510 3135 1 6 . 1 1 97 97 ARG C C 97 176.770 176.770 178.368 -1.598 19510 3136 1 6 . 1 1 97 97 ARG CA C 97 58.669 58.669 59.342 -0.673 19510 3137 1 6 . 1 1 97 97 ARG CB C 97 28.932 28.932 30.024 -1.092 19510 3138 1 6 . 1 1 97 97 ARG H H 97 8.073 8.073 7.898 0.175 19510 3139 1 6 . 1 1 98 98 GLU N N 98 118.029 118.029 119.108 -1.079 19510 3140 1 6 . 1 1 98 98 GLU HA H 98 4.180 4.180 3.989 0.191 19510 3141 1 6 . 1 1 98 98 GLU C C 98 178.865 178.865 179.325 -0.460 19510 3142 1 6 . 1 1 98 98 GLU CA C 98 57.867 57.867 59.688 -1.821 19510 3143 1 6 . 1 1 98 98 GLU CB C 98 27.704 27.704 29.442 -1.738 19510 3144 1 6 . 1 1 98 98 GLU H H 98 7.896 7.896 7.778 0.118 19510 3145 1 6 . 1 1 99 99 GLN N N 99 119.735 119.735 117.583 2.152 19510 3146 1 6 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.070 0.115 19510 3147 1 6 . 1 1 99 99 GLN C C 99 178.146 178.146 178.986 -0.840 19510 3148 1 6 . 1 1 99 99 GLN CA C 99 57.748 57.748 58.935 -1.187 19510 3149 1 6 . 1 1 99 99 GLN CB C 99 27.529 27.529 28.694 -1.165 19510 3150 1 6 . 1 1 99 99 GLN H H 99 8.320 8.320 8.166 0.154 19510 3151 1 6 . 1 1 100 100 ILE N N 100 119.676 119.676 119.781 -0.105 19510 3152 1 6 . 1 1 100 100 ILE HA H 100 3.993 3.993 3.948 0.045 19510 3153 1 6 . 1 1 100 100 ILE C C 100 178.315 178.315 178.812 -0.497 19510 3154 1 6 . 1 1 100 100 ILE CA C 100 60.935 60.935 63.351 -2.416 19510 3155 1 6 . 1 1 100 100 ILE CB C 100 34.935 34.935 37.212 -2.277 19510 3156 1 6 . 1 1 100 100 ILE H H 100 8.398 8.398 7.578 0.820 19510 3157 1 6 . 1 1 101 101 ILE N N 101 120.600 120.600 117.880 2.720 19510 3158 1 6 . 1 1 101 101 ILE HA H 101 4.027 4.027 3.841 0.186 19510 3159 1 6 . 1 1 101 101 ILE C C 101 177.006 177.006 177.003 0.003 19510 3160 1 6 . 1 1 101 101 ILE CA C 101 62.382 62.382 63.878 -1.496 19510 3161 1 6 . 1 1 101 101 ILE CB C 101 36.195 36.195 37.397 -1.202 19510 3162 1 6 . 1 1 101 101 ILE H H 101 8.350 8.350 7.699 0.651 19510 3163 1 6 . 1 1 102 102 SER N N 102 116.172 116.172 113.885 2.287 19510 3164 1 6 . 1 1 102 102 SER HA H 102 4.589 4.589 4.521 0.068 19510 3165 1 6 . 1 1 102 102 SER C C 102 173.845 173.845 174.347 -0.502 19510 3166 1 6 . 1 1 102 102 SER CA C 102 58.735 58.735 58.841 -0.106 19510 3167 1 6 . 1 1 102 102 SER CB C 102 62.254 62.254 63.682 -1.428 19510 3168 1 6 . 1 1 102 102 SER H H 102 7.896 7.896 7.738 0.158 19510 3169 1 6 . 1 1 103 103 GLU N N 103 122.642 122.642 121.101 1.541 19510 3170 1 6 . 1 1 103 103 GLU HA H 103 4.473 4.473 4.446 0.027 19510 3171 1 6 . 1 1 103 103 GLU C C 103 175.095 175.095 175.289 -0.194 19510 3172 1 6 . 1 1 103 103 GLU CA C 103 55.006 55.006 55.602 -0.596 19510 3173 1 6 . 1 1 103 103 GLU CB C 103 28.770 28.770 30.584 -1.814 19510 3174 1 6 . 1 1 103 103 GLU H H 103 7.780 7.780 7.538 0.242 19510 3175 1 7 . 1 1 4 4 PHE N N 4 122.548 122.548 122.996 -0.448 19510 3176 1 7 . 1 1 4 4 PHE HA H 4 4.680 4.680 4.908 -0.228 19510 3177 1 7 . 1 1 4 4 PHE CA C 4 57.087 57.087 56.881 0.206 19510 3178 1 7 . 1 1 4 4 PHE CB C 4 38.126 38.126 39.713 -1.587 19510 3179 1 7 . 1 1 4 4 PHE H H 4 8.328 8.328 7.549 0.779 19510 3180 1 7 . 1 1 7 7 ARG N N 7 121.962 121.962 121.999 -0.037 19510 3181 1 7 . 1 1 7 7 ARG HA H 7 4.265 4.265 4.411 -0.146 19510 3182 1 7 . 1 1 7 7 ARG C C 7 176.683 176.683 175.639 1.044 19510 3183 1 7 . 1 1 7 7 ARG CA C 7 56.502 56.502 55.898 0.604 19510 3184 1 7 . 1 1 7 7 ARG CB C 7 28.840 28.840 30.555 -1.715 19510 3185 1 7 . 1 1 7 7 ARG H H 7 8.339 8.339 8.162 0.177 19510 3186 1 7 . 1 1 8 8 GLU N N 8 121.095 121.095 124.242 -3.147 19510 3187 1 7 . 1 1 8 8 GLU HA H 8 4.233 4.233 4.369 -0.136 19510 3188 1 7 . 1 1 8 8 GLU C C 8 176.964 176.964 177.135 -0.171 19510 3189 1 7 . 1 1 8 8 GLU CA C 8 57.517 57.517 55.465 2.052 19510 3190 1 7 . 1 1 8 8 GLU CB C 8 27.744 27.744 30.811 -3.067 19510 3191 1 7 . 1 1 8 8 GLU H H 8 8.384 8.384 8.547 -0.163 19510 3192 1 7 . 1 1 9 9 ARG N N 9 121.320 121.320 119.922 1.398 19510 3193 1 7 . 1 1 9 9 ARG HA H 9 4.310 4.310 4.258 0.052 19510 3194 1 7 . 1 1 9 9 ARG C C 9 176.563 176.563 176.461 0.102 19510 3195 1 7 . 1 1 9 9 ARG CA C 9 56.233 56.233 55.995 0.238 19510 3196 1 7 . 1 1 9 9 ARG CB C 9 28.977 28.977 30.646 -1.669 19510 3197 1 7 . 1 1 9 9 ARG H H 9 8.291 8.291 8.288 0.003 19510 3198 1 7 . 1 1 10 10 ALA N N 10 123.900 123.900 122.611 1.289 19510 3199 1 7 . 1 1 10 10 ALA HA H 10 4.333 4.333 4.413 -0.080 19510 3200 1 7 . 1 1 10 10 ALA C C 10 178.129 178.129 176.693 1.436 19510 3201 1 7 . 1 1 10 10 ALA CA C 10 52.348 52.348 52.161 0.187 19510 3202 1 7 . 1 1 10 10 ALA CB C 10 17.396 17.396 18.064 -0.668 19510 3203 1 7 . 1 1 10 10 ALA H H 10 8.225 8.225 8.539 -0.314 19510 3204 1 7 . 1 1 11 11 HIS N N 11 117.829 117.829 113.992 3.837 19510 3205 1 7 . 1 1 11 11 HIS HA H 11 4.740 4.740 4.247 0.493 19510 3206 1 7 . 1 1 11 11 HIS C C 11 175.013 175.013 174.455 0.558 19510 3207 1 7 . 1 1 11 11 HIS CA C 11 55.041 55.041 56.499 -1.458 19510 3208 1 7 . 1 1 11 11 HIS CB C 11 27.391 27.391 28.818 -1.427 19510 3209 1 7 . 1 1 11 11 HIS H H 11 8.500 8.500 7.581 0.919 19510 3210 1 7 . 1 1 12 12 GLU N N 12 121.398 121.398 120.507 0.891 19510 3211 1 7 . 1 1 12 12 GLU HA H 12 4.326 4.326 3.997 0.329 19510 3212 1 7 . 1 1 12 12 GLU C C 12 176.808 176.808 176.518 0.290 19510 3213 1 7 . 1 1 12 12 GLU CA C 12 56.517 56.517 56.691 -0.173 19510 3214 1 7 . 1 1 12 12 GLU CB C 12 28.289 28.289 28.606 -0.317 19510 3215 1 7 . 1 1 12 12 GLU H H 12 8.456 8.456 8.212 0.244 19510 3216 1 7 . 1 1 13 13 ALA N N 13 124.231 124.231 125.932 -1.701 19510 3217 1 7 . 1 1 13 13 ALA HA H 13 4.309 4.309 4.014 0.295 19510 3218 1 7 . 1 1 13 13 ALA C C 13 178.197 178.197 177.021 1.176 19510 3219 1 7 . 1 1 13 13 ALA CA C 13 53.511 53.511 53.329 0.182 19510 3220 1 7 . 1 1 13 13 ALA CB C 13 17.174 17.174 17.870 -0.696 19510 3221 1 7 . 1 1 13 13 ALA H H 13 8.444 8.444 8.753 -0.309 19510 3222 1 7 . 1 1 14 14 LYS N N 14 120.159 120.159 117.477 2.682 19510 3223 1 7 . 1 1 14 14 LYS HA H 14 4.257 4.257 4.486 -0.229 19510 3224 1 7 . 1 1 14 14 LYS C C 14 176.757 176.757 177.403 -0.646 19510 3225 1 7 . 1 1 14 14 LYS CA C 14 56.461 56.461 57.260 -0.799 19510 3226 1 7 . 1 1 14 14 LYS CB C 14 31.191 31.191 33.419 -2.228 19510 3227 1 7 . 1 1 14 14 LYS H H 14 8.136 8.136 7.668 0.468 19510 3228 1 7 . 1 1 15 15 PHE N N 15 118.588 118.588 118.206 0.382 19510 3229 1 7 . 1 1 15 15 PHE HA H 15 4.527 4.527 4.473 0.054 19510 3230 1 7 . 1 1 15 15 PHE C C 15 175.635 175.635 176.492 -0.857 19510 3231 1 7 . 1 1 15 15 PHE CA C 15 57.992 57.992 57.885 0.107 19510 3232 1 7 . 1 1 15 15 PHE CB C 15 37.908 37.908 38.801 -0.893 19510 3233 1 7 . 1 1 15 15 PHE H H 15 7.998 7.998 8.584 -0.586 19510 3234 1 7 . 1 1 16 16 ALA N N 16 122.847 122.847 120.374 2.473 19510 3235 1 7 . 1 1 16 16 ALA HA H 16 4.317 4.317 4.509 -0.192 19510 3236 1 7 . 1 1 16 16 ALA C C 16 177.641 177.641 176.396 1.245 19510 3237 1 7 . 1 1 16 16 ALA CA C 16 52.317 52.317 52.261 0.056 19510 3238 1 7 . 1 1 16 16 ALA CB C 16 17.378 17.378 19.217 -1.839 19510 3239 1 7 . 1 1 16 16 ALA H H 16 8.172 8.172 7.838 0.334 19510 3240 1 7 . 1 1 17 17 HIS N N 17 115.904 115.904 117.945 -2.041 19510 3241 1 7 . 1 1 17 17 HIS HA H 17 4.839 4.839 4.660 0.179 19510 3242 1 7 . 1 1 17 17 HIS CA C 17 54.594 54.594 56.060 -1.466 19510 3243 1 7 . 1 1 17 17 HIS CB C 17 27.532 27.532 32.540 -5.008 19510 3244 1 7 . 1 1 17 17 HIS H H 17 8.218 8.218 7.809 0.409 19510 3245 1 7 . 1 1 18 18 ASP N N 18 121.432 121.432 119.070 2.362 19510 3246 1 7 . 1 1 18 18 ASP HA H 18 4.758 4.758 4.399 0.359 19510 3247 1 7 . 1 1 18 18 ASP CA C 18 53.004 53.004 54.795 -1.791 19510 3248 1 7 . 1 1 18 18 ASP CB C 18 39.571 39.571 40.911 -1.340 19510 3249 1 7 . 1 1 18 18 ASP H H 18 8.103 8.103 7.989 0.114 19510 3250 1 7 . 1 1 19 19 ALA N N 19 126.628 126.628 121.213 5.415 19510 3251 1 7 . 1 1 19 19 ALA HA H 19 4.303 4.303 4.346 -0.043 19510 3252 1 7 . 1 1 19 19 ALA CA C 19 53.177 53.177 52.612 0.565 19510 3253 1 7 . 1 1 19 19 ALA CB C 19 17.231 17.231 19.694 -2.463 19510 3254 1 7 . 1 1 19 19 ALA H H 19 8.588 8.588 8.126 0.462 19510 3255 1 7 . 1 1 20 20 GLU N N 20 119.826 119.826 120.300 -0.474 19510 3256 1 7 . 1 1 20 20 GLU HA H 20 4.314 4.314 4.024 0.290 19510 3257 1 7 . 1 1 20 20 GLU CA C 20 57.403 57.403 59.444 -2.041 19510 3258 1 7 . 1 1 20 20 GLU CB C 20 27.780 27.780 29.198 -1.418 19510 3259 1 7 . 1 1 20 20 GLU H H 20 8.391 8.391 8.748 -0.357 19510 3260 1 7 . 1 1 21 21 LEU N N 21 122.268 122.268 118.397 3.871 19510 3261 1 7 . 1 1 21 21 LEU HA H 21 4.179 4.179 4.291 -0.112 19510 3262 1 7 . 1 1 21 21 LEU CA C 21 56.531 56.531 57.065 -0.534 19510 3263 1 7 . 1 1 21 21 LEU CB C 21 40.255 40.255 41.697 -1.442 19510 3264 1 7 . 1 1 21 21 LEU H H 21 8.134 8.134 8.151 -0.017 19510 3265 1 7 . 1 1 22 22 ASN N N 22 118.005 118.005 118.653 -0.648 19510 3266 1 7 . 1 1 22 22 ASN HA H 22 4.665 4.665 3.465 1.200 19510 3267 1 7 . 1 1 22 22 ASN CA C 22 55.493 55.493 55.509 -0.016 19510 3268 1 7 . 1 1 22 22 ASN CB C 22 37.084 37.084 37.917 -0.834 19510 3269 1 7 . 1 1 22 22 ASN H H 22 8.456 8.456 7.366 1.090 19510 3270 1 7 . 1 1 23 23 PHE N N 23 121.379 121.379 121.250 0.129 19510 3271 1 7 . 1 1 23 23 PHE HA H 23 4.509 4.509 4.059 0.450 19510 3272 1 7 . 1 1 23 23 PHE CA C 23 59.496 59.496 61.369 -1.873 19510 3273 1 7 . 1 1 23 23 PHE CB C 23 37.380 37.380 39.172 -1.792 19510 3274 1 7 . 1 1 23 23 PHE H H 23 8.453 8.453 8.521 -0.068 19510 3275 1 7 . 1 1 24 24 LYS N N 24 120.674 120.674 118.025 2.649 19510 3276 1 7 . 1 1 24 24 LYS HA H 24 4.191 4.191 3.933 0.258 19510 3277 1 7 . 1 1 24 24 LYS C C 24 179.309 179.309 177.883 1.426 19510 3278 1 7 . 1 1 24 24 LYS CA C 24 58.132 58.132 59.453 -1.321 19510 3279 1 7 . 1 1 24 24 LYS CB C 24 31.828 31.828 32.507 -0.679 19510 3280 1 7 . 1 1 24 24 LYS H H 24 8.504 8.504 7.682 0.822 19510 3281 1 7 . 1 1 25 25 ALA N N 25 123.584 123.584 119.559 4.025 19510 3282 1 7 . 1 1 25 25 ALA HA H 25 4.146 4.146 4.209 -0.063 19510 3283 1 7 . 1 1 25 25 ALA C C 25 178.243 178.243 179.934 -1.691 19510 3284 1 7 . 1 1 25 25 ALA CA C 25 53.760 53.760 54.629 -0.869 19510 3285 1 7 . 1 1 25 25 ALA CB C 25 16.827 16.827 19.031 -2.204 19510 3286 1 7 . 1 1 25 25 ALA H H 25 8.841 8.841 7.458 1.383 19510 3287 1 7 . 1 1 26 26 GLU N N 26 122.239 122.239 116.298 5.941 19510 3288 1 7 . 1 1 26 26 GLU HA H 26 4.083 4.083 3.997 0.086 19510 3289 1 7 . 1 1 26 26 GLU C C 26 177.265 177.265 176.092 1.173 19510 3290 1 7 . 1 1 26 26 GLU CA C 26 57.850 57.850 57.563 0.287 19510 3291 1 7 . 1 1 26 26 GLU CB C 26 28.891 28.891 29.619 -0.728 19510 3292 1 7 . 1 1 26 26 GLU H H 26 8.482 8.482 7.618 0.864 19510 3293 1 7 . 1 1 27 27 ALA N N 27 122.124 122.124 120.642 1.482 19510 3294 1 7 . 1 1 27 27 ALA HA H 27 4.352 4.352 4.505 -0.153 19510 3295 1 7 . 1 1 27 27 ALA C C 27 180.552 180.552 176.401 4.151 19510 3296 1 7 . 1 1 27 27 ALA CA C 27 53.519 53.519 51.437 2.082 19510 3297 1 7 . 1 1 27 27 ALA CB C 27 16.410 16.410 18.795 -2.385 19510 3298 1 7 . 1 1 27 27 ALA H H 27 8.043 8.043 7.524 0.519 19510 3299 1 7 . 1 1 28 28 ARG N N 28 120.375 120.375 117.703 2.672 19510 3300 1 7 . 1 1 28 28 ARG HA H 28 4.441 4.441 4.436 0.005 19510 3301 1 7 . 1 1 28 28 ARG C C 28 176.309 176.309 177.905 -1.596 19510 3302 1 7 . 1 1 28 28 ARG CA C 28 55.369 55.369 56.077 -0.708 19510 3303 1 7 . 1 1 28 28 ARG CB C 28 28.480 28.480 30.958 -2.478 19510 3304 1 7 . 1 1 28 28 ARG H H 28 8.101 8.101 8.276 -0.175 19510 3305 1 7 . 1 1 29 29 ARG N N 29 122.734 122.734 119.995 2.739 19510 3306 1 7 . 1 1 29 29 ARG HA H 29 3.743 3.743 3.983 -0.240 19510 3307 1 7 . 1 1 29 29 ARG CA C 29 58.672 58.672 60.005 -1.333 19510 3308 1 7 . 1 1 29 29 ARG CB C 29 29.051 29.051 29.881 -0.830 19510 3309 1 7 . 1 1 29 29 ARG H H 29 8.901 8.901 8.035 0.866 19510 3310 1 7 . 1 1 30 30 ASN N N 30 119.961 119.961 115.267 4.694 19510 3311 1 7 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.701 -0.067 19510 3312 1 7 . 1 1 30 30 ASN C C 30 175.888 175.888 176.335 -0.447 19510 3313 1 7 . 1 1 30 30 ASN CA C 30 55.147 55.147 55.053 0.094 19510 3314 1 7 . 1 1 30 30 ASN CB C 30 35.418 35.418 38.068 -2.650 19510 3315 1 7 . 1 1 30 30 ASN H H 30 8.429 8.429 8.497 -0.068 19510 3316 1 7 . 1 1 31 31 ARG N N 31 123.400 123.400 119.059 4.341 19510 3317 1 7 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.190 0.092 19510 3318 1 7 . 1 1 31 31 ARG C C 31 177.804 177.804 176.238 1.566 19510 3319 1 7 . 1 1 31 31 ARG CA C 31 58.132 58.132 57.877 0.256 19510 3320 1 7 . 1 1 31 31 ARG CB C 31 27.636 27.636 30.158 -2.522 19510 3321 1 7 . 1 1 31 31 ARG H H 31 8.052 8.052 7.632 0.420 19510 3322 1 7 . 1 1 32 32 LEU N N 32 119.872 119.872 113.188 6.684 19510 3323 1 7 . 1 1 32 32 LEU HA H 32 4.318 4.318 4.857 -0.539 19510 3324 1 7 . 1 1 32 32 LEU C C 32 180.602 180.602 177.271 3.331 19510 3325 1 7 . 1 1 32 32 LEU CA C 32 56.471 56.471 53.723 2.748 19510 3326 1 7 . 1 1 32 32 LEU CB C 32 40.558 40.558 42.026 -1.468 19510 3327 1 7 . 1 1 32 32 LEU H H 32 8.752 8.752 7.347 1.405 19510 3328 1 7 . 1 1 33 33 LEU N N 33 124.468 124.468 123.166 1.302 19510 3329 1 7 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.207 0.094 19510 3330 1 7 . 1 1 33 33 LEU C C 33 177.992 177.992 178.443 -0.451 19510 3331 1 7 . 1 1 33 33 LEU CA C 33 56.482 56.482 57.561 -1.079 19510 3332 1 7 . 1 1 33 33 LEU CB C 33 41.626 41.626 41.796 -0.170 19510 3333 1 7 . 1 1 33 33 LEU H H 33 9.273 9.273 7.464 1.809 19510 3334 1 7 . 1 1 34 34 GLY N N 34 109.045 109.045 106.878 2.167 19510 3335 1 7 . 1 1 34 34 GLY C C 34 174.530 174.530 175.812 -1.282 19510 3336 1 7 . 1 1 34 34 GLY CA C 34 45.447 45.447 47.365 -1.918 19510 3337 1 7 . 1 1 34 34 GLY H H 34 8.907 8.907 8.771 0.136 19510 3338 1 7 . 1 1 35 35 GLU N N 35 123.414 123.414 120.856 2.558 19510 3339 1 7 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.220 -0.043 19510 3340 1 7 . 1 1 35 35 GLU C C 35 178.866 178.866 178.906 -0.040 19510 3341 1 7 . 1 1 35 35 GLU CA C 35 59.564 59.564 58.712 0.852 19510 3342 1 7 . 1 1 35 35 GLU CB C 35 27.692 27.692 29.330 -1.638 19510 3343 1 7 . 1 1 35 35 GLU H H 35 8.935 8.935 7.888 1.047 19510 3344 1 7 . 1 1 36 36 TRP N N 36 124.774 124.774 122.740 2.034 19510 3345 1 7 . 1 1 36 36 TRP HA H 36 4.604 4.604 4.345 0.259 19510 3346 1 7 . 1 1 36 36 TRP C C 36 177.618 177.618 177.603 0.015 19510 3347 1 7 . 1 1 36 36 TRP CA C 36 58.867 58.867 60.415 -1.548 19510 3348 1 7 . 1 1 36 36 TRP CB C 36 26.021 26.021 29.068 -3.047 19510 3349 1 7 . 1 1 36 36 TRP H H 36 8.531 8.531 7.683 0.848 19510 3350 1 7 . 1 1 37 37 ALA N N 37 123.777 123.777 121.063 2.714 19510 3351 1 7 . 1 1 37 37 ALA HA H 37 3.403 3.403 3.039 0.364 19510 3352 1 7 . 1 1 37 37 ALA C C 37 177.427 177.427 179.021 -1.594 19510 3353 1 7 . 1 1 37 37 ALA CA C 37 53.148 53.148 54.090 -0.942 19510 3354 1 7 . 1 1 37 37 ALA CB C 37 18.440 18.440 17.787 0.653 19510 3355 1 7 . 1 1 37 37 ALA H H 37 9.141 9.141 7.679 1.462 19510 3356 1 7 . 1 1 38 38 ALA N N 38 119.259 119.259 121.158 -1.899 19510 3357 1 7 . 1 1 38 38 ALA HA H 38 3.523 3.523 3.629 -0.106 19510 3358 1 7 . 1 1 38 38 ALA C C 38 178.670 178.670 179.367 -0.697 19510 3359 1 7 . 1 1 38 38 ALA CA C 38 53.882 53.882 55.182 -1.300 19510 3360 1 7 . 1 1 38 38 ALA CB C 38 17.083 17.083 18.152 -1.069 19510 3361 1 7 . 1 1 38 38 ALA H H 38 8.788 8.788 8.524 0.264 19510 3362 1 7 . 1 1 39 39 GLY N N 39 104.011 104.011 106.241 -2.230 19510 3363 1 7 . 1 1 39 39 GLY C C 39 177.232 177.232 176.056 1.176 19510 3364 1 7 . 1 1 39 39 GLY CA C 39 45.519 45.519 46.924 -1.405 19510 3365 1 7 . 1 1 39 39 GLY H H 39 7.756 7.756 7.861 -0.105 19510 3366 1 7 . 1 1 40 40 LEU N N 40 125.340 125.340 120.942 4.398 19510 3367 1 7 . 1 1 40 40 LEU HA H 40 4.111 4.111 4.009 0.102 19510 3368 1 7 . 1 1 40 40 LEU C C 40 178.203 178.203 178.053 0.150 19510 3369 1 7 . 1 1 40 40 LEU CA C 40 56.123 56.123 56.814 -0.691 19510 3370 1 7 . 1 1 40 40 LEU CB C 40 40.764 40.764 41.535 -0.771 19510 3371 1 7 . 1 1 40 40 LEU H H 40 7.511 7.511 7.147 0.364 19510 3372 1 7 . 1 1 41 41 LEU N N 41 117.234 117.234 116.024 1.210 19510 3373 1 7 . 1 1 41 41 LEU HA H 41 4.139 4.139 4.123 0.016 19510 3374 1 7 . 1 1 41 41 LEU C C 41 176.119 176.119 177.748 -1.629 19510 3375 1 7 . 1 1 41 41 LEU CA C 41 53.213 53.213 55.418 -2.205 19510 3376 1 7 . 1 1 41 41 LEU CB C 41 41.092 41.092 42.093 -1.001 19510 3377 1 7 . 1 1 41 41 LEU H H 41 7.692 7.692 7.671 0.021 19510 3378 1 7 . 1 1 42 42 GLY N N 42 109.595 109.595 106.306 3.289 19510 3379 1 7 . 1 1 42 42 GLY C C 42 173.775 173.775 173.575 0.200 19510 3380 1 7 . 1 1 42 42 GLY CA C 42 44.409 44.409 45.158 -0.749 19510 3381 1 7 . 1 1 42 42 GLY H H 42 7.896 7.896 7.411 0.485 19510 3382 1 7 . 1 1 43 43 LYS N N 43 119.965 119.965 120.089 -0.124 19510 3383 1 7 . 1 1 43 43 LYS HA H 43 4.737 4.737 4.658 0.079 19510 3384 1 7 . 1 1 43 43 LYS C C 43 175.246 175.246 175.248 -0.002 19510 3385 1 7 . 1 1 43 43 LYS CA C 43 54.189 54.189 54.654 -0.465 19510 3386 1 7 . 1 1 43 43 LYS CB C 43 33.208 33.208 34.150 -0.942 19510 3387 1 7 . 1 1 43 43 LYS H H 43 8.104 8.104 7.930 0.174 19510 3388 1 7 . 1 1 44 44 THR N N 44 114.199 114.199 112.010 2.189 19510 3389 1 7 . 1 1 44 44 THR HA H 44 4.773 4.773 4.666 0.107 19510 3390 1 7 . 1 1 44 44 THR C C 44 174.392 174.392 175.033 -0.641 19510 3391 1 7 . 1 1 44 44 THR CA C 44 58.348 58.348 59.700 -1.353 19510 3392 1 7 . 1 1 44 44 THR CB C 44 70.921 70.921 71.501 -0.580 19510 3393 1 7 . 1 1 44 44 THR H H 44 8.958 8.958 8.009 0.949 19510 3394 1 7 . 1 1 45 45 GLY N N 45 109.657 109.657 110.317 -0.660 19510 3395 1 7 . 1 1 45 45 GLY C C 45 175.330 175.330 175.100 0.230 19510 3396 1 7 . 1 1 45 45 GLY CA C 45 45.315 45.315 46.469 -1.155 19510 3397 1 7 . 1 1 45 45 GLY H H 45 8.885 8.885 8.722 0.163 19510 3398 1 7 . 1 1 46 46 ASP N N 46 128.403 128.403 124.058 4.345 19510 3399 1 7 . 1 1 46 46 ASP HA H 46 4.561 4.561 4.582 -0.021 19510 3400 1 7 . 1 1 46 46 ASP C C 46 177.343 177.343 177.663 -0.320 19510 3401 1 7 . 1 1 46 46 ASP CA C 46 55.829 55.829 55.878 -0.049 19510 3402 1 7 . 1 1 46 46 ASP CB C 46 39.039 39.039 40.753 -1.714 19510 3403 1 7 . 1 1 46 46 ASP H H 46 9.318 9.318 8.571 0.747 19510 3404 1 7 . 1 1 47 47 ASP N N 47 121.367 121.367 119.944 1.423 19510 3405 1 7 . 1 1 47 47 ASP HA H 47 4.668 4.668 4.432 0.236 19510 3406 1 7 . 1 1 47 47 ASP CA C 47 55.545 55.545 57.338 -1.793 19510 3407 1 7 . 1 1 47 47 ASP CB C 47 39.415 39.415 40.956 -1.541 19510 3408 1 7 . 1 1 47 47 ASP H H 47 8.521 8.521 7.933 0.588 19510 3409 1 7 . 1 1 48 48 ALA N N 48 123.210 123.210 121.869 1.341 19510 3410 1 7 . 1 1 48 48 ALA HA H 48 3.940 3.940 4.061 -0.121 19510 3411 1 7 . 1 1 48 48 ALA CA C 48 53.331 53.331 55.019 -1.688 19510 3412 1 7 . 1 1 48 48 ALA CB C 48 16.036 16.036 18.663 -2.627 19510 3413 1 7 . 1 1 48 48 ALA H H 48 7.262 7.262 7.403 -0.141 19510 3414 1 7 . 1 1 49 49 ARG N N 49 120.088 120.088 120.412 -0.324 19510 3415 1 7 . 1 1 49 49 ARG HA H 49 4.126 4.126 4.005 0.121 19510 3416 1 7 . 1 1 49 49 ARG CA C 49 57.876 57.876 59.487 -1.611 19510 3417 1 7 . 1 1 49 49 ARG CB C 49 28.774 28.774 30.410 -1.635 19510 3418 1 7 . 1 1 49 49 ARG H H 49 7.805 7.805 8.282 -0.477 19510 3419 1 7 . 1 1 50 50 ALA N N 50 121.061 121.061 120.065 0.996 19510 3420 1 7 . 1 1 50 50 ALA HA H 50 4.218 4.218 4.098 0.120 19510 3421 1 7 . 1 1 50 50 ALA CA C 50 53.399 53.399 54.913 -1.514 19510 3422 1 7 . 1 1 50 50 ALA CB C 50 16.672 16.672 18.011 -1.339 19510 3423 1 7 . 1 1 50 50 ALA H H 50 8.387 8.387 7.870 0.517 19510 3424 1 7 . 1 1 51 51 TYR N N 51 119.264 119.264 121.120 -1.856 19510 3425 1 7 . 1 1 51 51 TYR HA H 51 4.231 4.231 4.056 0.175 19510 3426 1 7 . 1 1 51 51 TYR C C 51 178.335 178.335 177.636 0.699 19510 3427 1 7 . 1 1 51 51 TYR CA C 51 60.493 60.493 60.983 -0.490 19510 3428 1 7 . 1 1 51 51 TYR CB C 51 37.094 37.094 38.294 -1.200 19510 3429 1 7 . 1 1 51 51 TYR H H 51 8.095 8.095 7.678 0.417 19510 3430 1 7 . 1 1 52 52 ALA N N 52 124.002 124.002 120.349 3.653 19510 3431 1 7 . 1 1 52 52 ALA HA H 52 3.899 3.899 3.936 -0.037 19510 3432 1 7 . 1 1 52 52 ALA C C 52 178.352 178.352 178.939 -0.587 19510 3433 1 7 . 1 1 52 52 ALA CA C 52 54.394 54.394 54.579 -0.185 19510 3434 1 7 . 1 1 52 52 ALA CB C 52 16.369 16.369 18.479 -2.110 19510 3435 1 7 . 1 1 52 52 ALA H H 52 8.651 8.651 8.505 0.146 19510 3436 1 7 . 1 1 53 53 LEU N N 53 116.593 116.593 115.803 0.790 19510 3437 1 7 . 1 1 53 53 LEU HA H 53 4.301 4.301 4.279 0.022 19510 3438 1 7 . 1 1 53 53 LEU C C 53 177.452 177.452 178.576 -1.124 19510 3439 1 7 . 1 1 53 53 LEU CA C 53 55.412 55.412 56.245 -0.833 19510 3440 1 7 . 1 1 53 53 LEU CB C 53 40.510 40.510 42.086 -1.576 19510 3441 1 7 . 1 1 53 53 LEU H H 53 7.664 7.664 7.608 0.056 19510 3442 1 7 . 1 1 54 54 THR N N 54 110.998 110.998 113.527 -2.529 19510 3443 1 7 . 1 1 54 54 THR HA H 54 4.401 4.401 4.308 0.093 19510 3444 1 7 . 1 1 54 54 THR CA C 54 61.997 61.997 63.226 -1.229 19510 3445 1 7 . 1 1 54 54 THR CB C 54 67.988 67.988 69.790 -1.802 19510 3446 1 7 . 1 1 54 54 THR H H 54 7.962 7.962 7.538 0.424 19510 3447 1 7 . 1 1 55 55 VAL N N 55 123.907 123.907 125.313 -1.406 19510 3448 1 7 . 1 1 55 55 VAL HA H 55 3.869 3.869 4.076 -0.207 19510 3449 1 7 . 1 1 55 55 VAL CA C 55 62.373 62.373 63.182 -0.809 19510 3450 1 7 . 1 1 55 55 VAL CB C 55 29.037 29.037 30.888 -1.851 19510 3451 1 7 . 1 1 55 55 VAL H H 55 7.217 7.217 7.524 -0.307 19510 3452 1 7 . 1 1 56 56 VAL N N 56 119.176 119.176 128.311 -9.135 19510 3453 1 7 . 1 1 56 56 VAL HA H 56 4.300 4.300 4.449 -0.149 19510 3454 1 7 . 1 1 56 56 VAL CA C 56 55.363 55.363 61.488 -6.125 19510 3455 1 7 . 1 1 56 56 VAL CB C 56 32.466 32.466 34.772 -2.306 19510 3456 1 7 . 1 1 56 56 VAL H H 56 7.474 7.474 7.872 -0.398 19510 3457 1 7 . 1 1 57 57 THR N N 57 114.951 114.951 119.958 -5.007 19510 3458 1 7 . 1 1 57 57 THR HA H 57 4.509 4.509 4.400 0.109 19510 3459 1 7 . 1 1 57 57 THR CA C 57 60.698 60.698 62.369 -1.671 19510 3460 1 7 . 1 1 57 57 THR CB C 57 68.177 68.177 69.091 -0.914 19510 3461 1 7 . 1 1 57 57 THR H H 57 7.992 7.992 8.344 -0.352 19510 3462 1 7 . 1 1 58 58 SER N N 58 119.820 119.820 117.300 2.520 19510 3463 1 7 . 1 1 58 58 SER HA H 58 4.554 4.554 4.473 0.081 19510 3464 1 7 . 1 1 58 58 SER CA C 58 57.409 57.409 58.674 -1.265 19510 3465 1 7 . 1 1 58 58 SER CB C 58 62.399 62.399 63.634 -1.235 19510 3466 1 7 . 1 1 58 58 SER H H 58 8.473 8.473 8.203 0.270 19510 3467 1 7 . 1 1 59 59 ASP N N 59 122.199 122.199 118.454 3.745 19510 3468 1 7 . 1 1 59 59 ASP HA H 59 4.762 4.762 4.450 0.312 19510 3469 1 7 . 1 1 59 59 ASP C C 59 175.459 175.459 174.757 0.702 19510 3470 1 7 . 1 1 59 59 ASP CA C 59 52.469 52.469 53.324 -0.855 19510 3471 1 7 . 1 1 59 59 ASP CB C 59 39.455 39.455 42.663 -3.208 19510 3472 1 7 . 1 1 59 59 ASP H H 59 8.285 8.285 8.174 0.111 19510 3473 1 7 . 1 1 60 60 PHE HA H 60 4.182 4.182 4.967 -0.785 19510 3474 1 7 . 1 1 60 60 PHE CA C 60 59.253 59.253 55.483 3.770 19510 3475 1 7 . 1 1 60 60 PHE CB C 60 35.163 35.163 37.219 -2.056 19510 3476 1 7 . 1 1 63 63 PRO HA H 63 4.606 4.606 4.686 -0.080 19510 3477 1 7 . 1 1 63 63 PRO CA C 63 55.716 55.716 62.920 -7.204 19510 3478 1 7 . 1 1 63 63 PRO CB C 63 30.732 30.732 32.498 -1.766 19510 3479 1 7 . 1 1 64 64 GLY N N 64 110.382 110.382 109.374 1.008 19510 3480 1 7 . 1 1 64 64 GLY CA C 64 44.280 44.280 46.217 -1.937 19510 3481 1 7 . 1 1 64 64 GLY H H 64 8.706 8.706 8.652 0.054 19510 3482 1 7 . 1 1 65 65 ASP N N 65 121.977 121.977 121.533 0.444 19510 3483 1 7 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.772 -0.110 19510 3484 1 7 . 1 1 65 65 ASP CA C 65 55.765 55.765 54.403 1.362 19510 3485 1 7 . 1 1 65 65 ASP CB C 65 39.579 39.579 40.788 -1.209 19510 3486 1 7 . 1 1 65 65 ASP H H 65 8.661 8.661 8.163 0.498 19510 3487 1 7 . 1 1 66 66 GLU N N 66 120.065 120.065 122.239 -2.174 19510 3488 1 7 . 1 1 66 66 GLU HA H 66 4.437 4.437 4.234 0.203 19510 3489 1 7 . 1 1 66 66 GLU CA C 66 57.520 57.520 57.320 0.200 19510 3490 1 7 . 1 1 66 66 GLU CB C 66 27.598 27.598 30.144 -2.546 19510 3491 1 7 . 1 1 66 66 GLU H H 66 8.643 8.643 8.858 -0.215 19510 3492 1 7 . 1 1 67 67 ASP N N 67 120.033 120.033 120.016 0.017 19510 3493 1 7 . 1 1 67 67 ASP HA H 67 4.609 4.609 4.465 0.144 19510 3494 1 7 . 1 1 67 67 ASP CA C 67 55.601 55.601 54.902 0.699 19510 3495 1 7 . 1 1 67 67 ASP CB C 67 39.106 39.106 41.279 -2.173 19510 3496 1 7 . 1 1 67 67 ASP H H 67 8.272 8.272 7.275 0.997 19510 3497 1 7 . 1 1 68 68 VAL N N 68 123.206 123.206 120.718 2.488 19510 3498 1 7 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.676 0.141 19510 3499 1 7 . 1 1 68 68 VAL CA C 68 65.715 65.715 64.651 1.064 19510 3500 1 7 . 1 1 68 68 VAL CB C 68 30.705 30.705 31.945 -1.240 19510 3501 1 7 . 1 1 68 68 VAL H H 68 8.045 8.045 8.087 -0.042 19510 3502 1 7 . 1 1 69 69 PHE N N 69 120.600 120.600 113.678 6.922 19510 3503 1 7 . 1 1 69 69 PHE HA H 69 4.158 4.158 4.603 -0.445 19510 3504 1 7 . 1 1 69 69 PHE CA C 69 61.013 61.013 58.008 3.005 19510 3505 1 7 . 1 1 69 69 PHE CB C 69 37.455 37.455 37.832 -0.377 19510 3506 1 7 . 1 1 69 69 PHE H H 69 8.488 8.488 6.618 1.870 19510 3507 1 7 . 1 1 70 70 ARG N N 70 117.820 117.820 122.512 -4.692 19510 3508 1 7 . 1 1 70 70 ARG HA H 70 3.755 3.755 3.987 -0.232 19510 3509 1 7 . 1 1 70 70 ARG C C 70 178.813 178.813 178.101 0.712 19510 3510 1 7 . 1 1 70 70 ARG CA C 70 58.184 58.184 59.847 -1.663 19510 3511 1 7 . 1 1 70 70 ARG CB C 70 28.899 28.899 30.058 -1.159 19510 3512 1 7 . 1 1 70 70 ARG H H 70 8.611 8.611 7.662 0.949 19510 3513 1 7 . 1 1 71 71 LYS N N 71 121.726 121.726 116.178 5.548 19510 3514 1 7 . 1 1 71 71 LYS HA H 71 4.253 4.253 4.182 0.071 19510 3515 1 7 . 1 1 71 71 LYS C C 71 177.020 177.020 176.987 0.033 19510 3516 1 7 . 1 1 71 71 LYS CA C 71 58.490 58.490 57.939 0.551 19510 3517 1 7 . 1 1 71 71 LYS CB C 71 31.216 31.216 31.689 -0.473 19510 3518 1 7 . 1 1 71 71 LYS H H 71 7.686 7.686 8.367 -0.681 19510 3519 1 7 . 1 1 72 72 LEU N N 72 119.355 119.355 119.058 0.297 19510 3520 1 7 . 1 1 72 72 LEU HA H 72 4.051 4.051 4.612 -0.561 19510 3521 1 7 . 1 1 72 72 LEU C C 72 177.378 177.378 177.321 0.057 19510 3522 1 7 . 1 1 72 72 LEU CA C 72 56.317 56.317 55.453 0.864 19510 3523 1 7 . 1 1 72 72 LEU CB C 72 41.148 41.148 43.441 -2.293 19510 3524 1 7 . 1 1 72 72 LEU H H 72 8.215 8.215 7.633 0.582 19510 3525 1 7 . 1 1 73 73 ALA N N 73 121.106 121.106 121.802 -0.696 19510 3526 1 7 . 1 1 73 73 ALA HA H 73 3.767 3.767 3.964 -0.197 19510 3527 1 7 . 1 1 73 73 ALA C C 73 179.644 179.644 179.059 0.585 19510 3528 1 7 . 1 1 73 73 ALA CA C 73 53.263 53.263 55.269 -2.006 19510 3529 1 7 . 1 1 73 73 ALA CB C 73 15.930 15.930 18.712 -2.782 19510 3530 1 7 . 1 1 73 73 ALA H H 73 9.143 9.143 8.588 0.555 19510 3531 1 7 . 1 1 74 74 ALA N N 74 119.383 119.383 117.282 2.101 19510 3532 1 7 . 1 1 74 74 ALA HA H 74 4.384 4.384 4.113 0.271 19510 3533 1 7 . 1 1 74 74 ALA C C 74 179.752 179.752 179.353 0.399 19510 3534 1 7 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.056 -0.532 19510 3535 1 7 . 1 1 74 74 ALA CB C 74 17.094 17.094 18.657 -1.563 19510 3536 1 7 . 1 1 74 74 ALA H H 74 7.403 7.403 7.608 -0.205 19510 3537 1 7 . 1 1 75 75 ASP N N 75 120.226 120.226 118.509 1.717 19510 3538 1 7 . 1 1 75 75 ASP HA H 75 4.523 4.523 4.627 -0.104 19510 3539 1 7 . 1 1 75 75 ASP C C 75 177.704 177.704 176.589 1.115 19510 3540 1 7 . 1 1 75 75 ASP CA C 75 55.312 55.312 56.143 -0.831 19510 3541 1 7 . 1 1 75 75 ASP CB C 75 38.326 38.326 41.531 -3.205 19510 3542 1 7 . 1 1 75 75 ASP H H 75 8.536 8.536 7.825 0.711 19510 3543 1 7 . 1 1 76 76 LEU N N 76 115.468 115.468 119.159 -3.691 19510 3544 1 7 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.531 -0.139 19510 3545 1 7 . 1 1 76 76 LEU C C 76 174.790 174.790 175.242 -0.452 19510 3546 1 7 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.047 -0.423 19510 3547 1 7 . 1 1 76 76 LEU CB C 76 39.594 39.594 41.509 -1.915 19510 3548 1 7 . 1 1 76 76 LEU H H 76 8.612 8.612 7.443 1.169 19510 3549 1 7 . 1 1 77 77 GLU N N 77 124.725 124.725 122.315 2.410 19510 3550 1 7 . 1 1 77 77 GLU HA H 77 4.343 4.343 4.095 0.248 19510 3551 1 7 . 1 1 77 77 GLU C C 77 176.953 176.953 177.721 -0.768 19510 3552 1 7 . 1 1 77 77 GLU CA C 77 57.345 57.345 57.991 -0.646 19510 3553 1 7 . 1 1 77 77 GLU CB C 77 27.555 27.555 29.524 -1.969 19510 3554 1 7 . 1 1 77 77 GLU H H 77 7.158 7.158 7.793 -0.635 19510 3555 1 7 . 1 1 78 78 GLY N N 78 118.105 118.105 114.849 3.256 19510 3556 1 7 . 1 1 78 78 GLY C C 78 173.075 173.075 174.842 -1.767 19510 3557 1 7 . 1 1 78 78 GLY CA C 78 44.269 44.269 45.923 -1.654 19510 3558 1 7 . 1 1 78 78 GLY H H 78 9.392 9.392 8.802 0.590 19510 3559 1 7 . 1 1 79 79 LYS N N 79 120.237 120.237 118.592 1.645 19510 3560 1 7 . 1 1 79 79 LYS HA H 79 4.663 4.663 4.582 0.081 19510 3561 1 7 . 1 1 79 79 LYS C C 79 175.050 175.050 174.848 0.202 19510 3562 1 7 . 1 1 79 79 LYS CA C 79 54.683 54.683 55.826 -1.143 19510 3563 1 7 . 1 1 79 79 LYS CB C 79 33.435 33.435 33.806 -0.371 19510 3564 1 7 . 1 1 79 79 LYS H H 79 8.809 8.809 8.441 0.368 19510 3565 1 7 . 1 1 80 80 ALA N N 80 121.135 121.135 121.128 0.007 19510 3566 1 7 . 1 1 80 80 ALA HA H 80 4.893 4.893 4.716 0.177 19510 3567 1 7 . 1 1 80 80 ALA C C 80 174.051 174.051 174.441 -0.390 19510 3568 1 7 . 1 1 80 80 ALA CA C 80 50.289 50.289 51.575 -1.286 19510 3569 1 7 . 1 1 80 80 ALA CB C 80 20.483 20.483 21.096 -0.613 19510 3570 1 7 . 1 1 80 80 ALA H H 80 8.169 8.169 7.569 0.600 19510 3571 1 7 . 1 1 81 81 ASP N N 81 121.569 121.569 117.736 3.833 19510 3572 1 7 . 1 1 81 81 ASP HA H 81 4.898 4.898 4.929 -0.031 19510 3573 1 7 . 1 1 81 81 ASP CA C 81 50.397 50.397 53.415 -3.018 19510 3574 1 7 . 1 1 81 81 ASP CB C 81 40.401 40.401 43.891 -3.490 19510 3575 1 7 . 1 1 81 81 ASP H H 81 8.330 8.330 8.296 0.034 19510 3576 1 7 . 1 1 82 82 GLU N N 82 119.843 119.843 120.990 -1.147 19510 3577 1 7 . 1 1 82 82 GLU HA H 82 4.185 4.185 3.781 0.404 19510 3578 1 7 . 1 1 82 82 GLU C C 82 177.350 177.350 178.525 -1.175 19510 3579 1 7 . 1 1 82 82 GLU CA C 82 59.676 59.676 59.861 -0.185 19510 3580 1 7 . 1 1 82 82 GLU CB C 82 27.893 27.893 29.687 -1.794 19510 3581 1 7 . 1 1 82 82 GLU H H 82 8.923 8.923 8.582 0.341 19510 3582 1 7 . 1 1 83 83 GLU N N 83 119.348 119.348 118.379 0.969 19510 3583 1 7 . 1 1 83 83 GLU HA H 83 4.177 4.177 4.160 0.017 19510 3584 1 7 . 1 1 83 83 GLU C C 83 178.794 178.794 178.566 0.228 19510 3585 1 7 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.751 0.331 19510 3586 1 7 . 1 1 83 83 GLU CB C 83 28.879 28.879 29.293 -0.414 19510 3587 1 7 . 1 1 83 83 GLU H H 83 8.832 8.832 8.557 0.275 19510 3588 1 7 . 1 1 84 84 THR N N 84 119.892 119.892 116.772 3.120 19510 3589 1 7 . 1 1 84 84 THR HA H 84 4.140 4.140 3.956 0.184 19510 3590 1 7 . 1 1 84 84 THR C C 84 176.165 176.165 176.436 -0.271 19510 3591 1 7 . 1 1 84 84 THR CA C 84 65.721 65.721 66.590 -0.869 19510 3592 1 7 . 1 1 84 84 THR CB C 84 66.751 66.751 68.524 -1.773 19510 3593 1 7 . 1 1 84 84 THR H H 84 8.576 8.576 7.951 0.625 19510 3594 1 7 . 1 1 85 85 ILE N N 85 123.655 123.655 121.768 1.887 19510 3595 1 7 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.673 0.146 19510 3596 1 7 . 1 1 85 85 ILE C C 85 174.809 174.809 177.279 -2.470 19510 3597 1 7 . 1 1 85 85 ILE CA C 85 64.891 64.891 65.489 -0.598 19510 3598 1 7 . 1 1 85 85 ILE CB C 85 37.797 37.797 38.019 -0.222 19510 3599 1 7 . 1 1 85 85 ILE H H 85 8.572 8.572 8.438 0.134 19510 3600 1 7 . 1 1 86 86 ARG N N 86 119.670 119.670 119.846 -0.176 19510 3601 1 7 . 1 1 86 86 ARG HA H 86 4.186 4.186 4.194 -0.008 19510 3602 1 7 . 1 1 86 86 ARG CA C 86 58.766 58.766 58.770 -0.004 19510 3603 1 7 . 1 1 86 86 ARG CB C 86 28.165 28.165 28.621 -0.456 19510 3604 1 7 . 1 1 86 86 ARG H H 86 9.092 9.092 7.611 1.481 19510 3605 1 7 . 1 1 87 87 ALA N N 87 121.431 121.431 122.717 -1.286 19510 3606 1 7 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.010 0.297 19510 3607 1 7 . 1 1 87 87 ALA CA C 87 53.558 53.558 54.799 -1.241 19510 3608 1 7 . 1 1 87 87 ALA CB C 87 16.382 16.382 18.163 -1.781 19510 3609 1 7 . 1 1 87 87 ALA H H 87 8.242 8.242 8.280 -0.038 19510 3610 1 7 . 1 1 88 88 LYS N N 88 122.742 122.742 119.011 3.731 19510 3611 1 7 . 1 1 88 88 LYS HA H 88 4.011 4.011 3.755 0.256 19510 3612 1 7 . 1 1 88 88 LYS CA C 88 55.172 55.172 58.837 -3.665 19510 3613 1 7 . 1 1 88 88 LYS CB C 88 29.078 29.078 31.610 -2.532 19510 3614 1 7 . 1 1 88 88 LYS H H 88 8.182 8.182 7.891 0.291 19510 3615 1 7 . 1 1 89 89 MET N N 89 118.686 118.686 116.024 2.662 19510 3616 1 7 . 1 1 89 89 MET HA H 89 3.854 3.854 4.110 -0.256 19510 3617 1 7 . 1 1 89 89 MET CA C 89 59.175 59.175 58.852 0.323 19510 3618 1 7 . 1 1 89 89 MET CB C 89 31.697 31.697 32.904 -1.207 19510 3619 1 7 . 1 1 89 89 MET H H 89 8.504 8.504 7.949 0.555 19510 3620 1 7 . 1 1 90 90 VAL N N 90 120.987 120.987 116.767 4.220 19510 3621 1 7 . 1 1 90 90 VAL HA H 90 3.853 3.853 3.892 -0.039 19510 3622 1 7 . 1 1 90 90 VAL C C 90 178.017 178.017 178.510 -0.493 19510 3623 1 7 . 1 1 90 90 VAL CA C 90 64.868 64.868 64.281 0.587 19510 3624 1 7 . 1 1 90 90 VAL CB C 90 31.054 31.054 31.883 -0.829 19510 3625 1 7 . 1 1 90 90 VAL H H 90 7.573 7.573 7.547 0.026 19510 3626 1 7 . 1 1 91 91 GLU N N 91 124.236 124.236 122.335 1.901 19510 3627 1 7 . 1 1 91 91 GLU HA H 91 3.802 3.802 4.023 -0.221 19510 3628 1 7 . 1 1 91 91 GLU C C 91 177.612 177.612 178.749 -1.137 19510 3629 1 7 . 1 1 91 91 GLU CA C 91 58.414 58.414 59.703 -1.289 19510 3630 1 7 . 1 1 91 91 GLU CB C 91 30.606 30.606 29.770 0.836 19510 3631 1 7 . 1 1 91 91 GLU H H 91 8.494 8.494 8.017 0.477 19510 3632 1 7 . 1 1 92 92 LEU N N 92 114.818 114.818 114.105 0.713 19510 3633 1 7 . 1 1 92 92 LEU HA H 92 4.336 4.336 4.428 -0.092 19510 3634 1 7 . 1 1 92 92 LEU C C 92 177.928 177.928 177.310 0.618 19510 3635 1 7 . 1 1 92 92 LEU CA C 92 56.351 56.351 55.393 0.958 19510 3636 1 7 . 1 1 92 92 LEU CB C 92 39.780 39.780 40.821 -1.041 19510 3637 1 7 . 1 1 92 92 LEU H H 92 8.833 8.833 7.471 1.362 19510 3638 1 7 . 1 1 93 93 ARG N N 93 123.398 123.398 121.196 2.202 19510 3639 1 7 . 1 1 93 93 ARG HA H 93 3.997 3.997 3.912 0.085 19510 3640 1 7 . 1 1 93 93 ARG C C 93 176.350 176.350 178.177 -1.827 19510 3641 1 7 . 1 1 93 93 ARG CA C 93 58.848 58.848 59.502 -0.654 19510 3642 1 7 . 1 1 93 93 ARG CB C 93 28.592 28.592 30.046 -1.454 19510 3643 1 7 . 1 1 93 93 ARG H H 93 7.746 7.746 7.553 0.193 19510 3644 1 7 . 1 1 94 94 ALA N N 94 122.480 122.480 120.321 2.159 19510 3645 1 7 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.130 0.131 19510 3646 1 7 . 1 1 94 94 ALA C C 94 179.805 179.805 178.866 0.939 19510 3647 1 7 . 1 1 94 94 ALA CA C 94 54.529 54.529 54.603 -0.074 19510 3648 1 7 . 1 1 94 94 ALA CB C 94 16.423 16.423 18.252 -1.829 19510 3649 1 7 . 1 1 94 94 ALA H H 94 7.322 7.322 8.312 -0.990 19510 3650 1 7 . 1 1 95 95 THR N N 95 116.936 116.936 115.148 1.788 19510 3651 1 7 . 1 1 95 95 THR HA H 95 4.045 4.045 3.881 0.164 19510 3652 1 7 . 1 1 95 95 THR C C 95 175.007 175.007 176.070 -1.063 19510 3653 1 7 . 1 1 95 95 THR CA C 95 64.868 64.868 66.589 -1.721 19510 3654 1 7 . 1 1 95 95 THR CB C 95 67.633 67.633 68.529 -0.896 19510 3655 1 7 . 1 1 95 95 THR H H 95 8.275 8.275 8.350 -0.075 19510 3656 1 7 . 1 1 96 96 ALA N N 96 123.969 123.969 123.348 0.621 19510 3657 1 7 . 1 1 96 96 ALA HA H 96 3.904 3.904 4.000 -0.096 19510 3658 1 7 . 1 1 96 96 ALA C C 96 178.184 178.184 179.187 -1.003 19510 3659 1 7 . 1 1 96 96 ALA CA C 96 54.098 54.098 55.064 -0.966 19510 3660 1 7 . 1 1 96 96 ALA CB C 96 18.118 18.118 18.420 -0.302 19510 3661 1 7 . 1 1 96 96 ALA H H 96 8.688 8.688 7.647 1.041 19510 3662 1 7 . 1 1 97 97 ARG N N 97 117.393 117.393 116.530 0.863 19510 3663 1 7 . 1 1 97 97 ARG HA H 97 3.857 3.857 4.196 -0.339 19510 3664 1 7 . 1 1 97 97 ARG C C 97 176.770 176.770 178.455 -1.685 19510 3665 1 7 . 1 1 97 97 ARG CA C 97 58.669 58.669 58.856 -0.187 19510 3666 1 7 . 1 1 97 97 ARG CB C 97 28.932 28.932 30.103 -1.171 19510 3667 1 7 . 1 1 97 97 ARG H H 97 8.073 8.073 7.715 0.358 19510 3668 1 7 . 1 1 98 98 GLU N N 98 118.029 118.029 120.638 -2.609 19510 3669 1 7 . 1 1 98 98 GLU HA H 98 4.180 4.180 3.975 0.205 19510 3670 1 7 . 1 1 98 98 GLU C C 98 178.865 178.865 179.083 -0.218 19510 3671 1 7 . 1 1 98 98 GLU CA C 98 57.867 57.867 59.276 -1.409 19510 3672 1 7 . 1 1 98 98 GLU CB C 98 27.704 27.704 29.343 -1.639 19510 3673 1 7 . 1 1 98 98 GLU H H 98 7.896 7.896 7.780 0.116 19510 3674 1 7 . 1 1 99 99 GLN N N 99 119.735 119.735 117.364 2.371 19510 3675 1 7 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.034 0.151 19510 3676 1 7 . 1 1 99 99 GLN C C 99 178.146 178.146 178.848 -0.702 19510 3677 1 7 . 1 1 99 99 GLN CA C 99 57.748 57.748 58.933 -1.185 19510 3678 1 7 . 1 1 99 99 GLN CB C 99 27.529 27.529 28.373 -0.844 19510 3679 1 7 . 1 1 99 99 GLN H H 99 8.320 8.320 8.468 -0.148 19510 3680 1 7 . 1 1 100 100 ILE N N 100 119.676 119.676 119.675 0.001 19510 3681 1 7 . 1 1 100 100 ILE HA H 100 3.993 3.993 3.758 0.235 19510 3682 1 7 . 1 1 100 100 ILE C C 100 178.315 178.315 178.507 -0.192 19510 3683 1 7 . 1 1 100 100 ILE CA C 100 60.935 60.935 63.292 -2.357 19510 3684 1 7 . 1 1 100 100 ILE CB C 100 34.935 34.935 36.901 -1.966 19510 3685 1 7 . 1 1 100 100 ILE H H 100 8.398 8.398 7.457 0.941 19510 3686 1 7 . 1 1 101 101 ILE N N 101 120.600 120.600 116.952 3.648 19510 3687 1 7 . 1 1 101 101 ILE HA H 101 4.027 4.027 3.906 0.121 19510 3688 1 7 . 1 1 101 101 ILE C C 101 177.006 177.006 176.868 0.138 19510 3689 1 7 . 1 1 101 101 ILE CA C 101 62.382 62.382 63.599 -1.217 19510 3690 1 7 . 1 1 101 101 ILE CB C 101 36.195 36.195 37.221 -1.026 19510 3691 1 7 . 1 1 101 101 ILE H H 101 8.350 8.350 7.681 0.669 19510 3692 1 7 . 1 1 102 102 SER N N 102 116.172 116.172 113.915 2.257 19510 3693 1 7 . 1 1 102 102 SER HA H 102 4.589 4.589 4.513 0.076 19510 3694 1 7 . 1 1 102 102 SER C C 102 173.845 173.845 174.442 -0.597 19510 3695 1 7 . 1 1 102 102 SER CA C 102 58.735 58.735 58.960 -0.225 19510 3696 1 7 . 1 1 102 102 SER CB C 102 62.254 62.254 64.341 -2.087 19510 3697 1 7 . 1 1 102 102 SER H H 102 7.896 7.896 7.627 0.269 19510 3698 1 7 . 1 1 103 103 GLU N N 103 122.642 122.642 121.159 1.483 19510 3699 1 7 . 1 1 103 103 GLU HA H 103 4.473 4.473 4.485 -0.012 19510 3700 1 7 . 1 1 103 103 GLU C C 103 175.095 175.095 175.340 -0.245 19510 3701 1 7 . 1 1 103 103 GLU CA C 103 55.006 55.006 55.304 -0.298 19510 3702 1 7 . 1 1 103 103 GLU CB C 103 28.770 28.770 30.495 -1.725 19510 3703 1 7 . 1 1 103 103 GLU H H 103 7.780 7.780 7.611 0.169 19510 3704 1 8 . 1 1 4 4 PHE N N 4 122.548 122.548 123.498 -0.950 19510 3705 1 8 . 1 1 4 4 PHE HA H 4 4.680 4.680 4.889 -0.209 19510 3706 1 8 . 1 1 4 4 PHE CA C 4 57.087 57.087 56.717 0.371 19510 3707 1 8 . 1 1 4 4 PHE CB C 4 38.126 38.126 40.067 -1.941 19510 3708 1 8 . 1 1 4 4 PHE H H 4 8.328 8.328 7.757 0.571 19510 3709 1 8 . 1 1 7 7 ARG N N 7 121.962 121.962 119.604 2.358 19510 3710 1 8 . 1 1 7 7 ARG HA H 7 4.265 4.265 4.410 -0.145 19510 3711 1 8 . 1 1 7 7 ARG C C 7 176.683 176.683 175.802 0.881 19510 3712 1 8 . 1 1 7 7 ARG CA C 7 56.502 56.502 56.515 -0.013 19510 3713 1 8 . 1 1 7 7 ARG CB C 7 28.840 28.840 28.962 -0.122 19510 3714 1 8 . 1 1 7 7 ARG H H 7 8.339 8.339 8.305 0.034 19510 3715 1 8 . 1 1 8 8 GLU N N 8 121.095 121.095 120.587 0.508 19510 3716 1 8 . 1 1 8 8 GLU HA H 8 4.233 4.233 4.430 -0.197 19510 3717 1 8 . 1 1 8 8 GLU C C 8 176.964 176.964 176.526 0.438 19510 3718 1 8 . 1 1 8 8 GLU CA C 8 57.517 57.517 56.340 1.177 19510 3719 1 8 . 1 1 8 8 GLU CB C 8 27.744 27.744 30.694 -2.950 19510 3720 1 8 . 1 1 8 8 GLU H H 8 8.384 8.384 7.779 0.605 19510 3721 1 8 . 1 1 9 9 ARG N N 9 121.320 121.320 120.086 1.234 19510 3722 1 8 . 1 1 9 9 ARG HA H 9 4.310 4.310 4.526 -0.216 19510 3723 1 8 . 1 1 9 9 ARG C C 9 176.563 176.563 174.567 1.996 19510 3724 1 8 . 1 1 9 9 ARG CA C 9 56.233 56.233 55.510 0.723 19510 3725 1 8 . 1 1 9 9 ARG CB C 9 28.977 28.977 31.307 -2.330 19510 3726 1 8 . 1 1 9 9 ARG H H 9 8.291 8.291 7.682 0.609 19510 3727 1 8 . 1 1 10 10 ALA N N 10 123.900 123.900 123.708 0.192 19510 3728 1 8 . 1 1 10 10 ALA HA H 10 4.333 4.333 4.609 -0.276 19510 3729 1 8 . 1 1 10 10 ALA C C 10 178.129 178.129 176.933 1.196 19510 3730 1 8 . 1 1 10 10 ALA CA C 10 52.348 52.348 52.256 0.092 19510 3731 1 8 . 1 1 10 10 ALA CB C 10 17.396 17.396 19.147 -1.751 19510 3732 1 8 . 1 1 10 10 ALA H H 10 8.225 8.225 8.302 -0.077 19510 3733 1 8 . 1 1 11 11 HIS N N 11 117.829 117.829 119.686 -1.857 19510 3734 1 8 . 1 1 11 11 HIS HA H 11 4.740 4.740 4.515 0.225 19510 3735 1 8 . 1 1 11 11 HIS C C 11 175.013 175.013 175.762 -0.749 19510 3736 1 8 . 1 1 11 11 HIS CA C 11 55.041 55.041 55.697 -0.656 19510 3737 1 8 . 1 1 11 11 HIS CB C 11 27.391 27.391 29.827 -2.436 19510 3738 1 8 . 1 1 11 11 HIS H H 11 8.500 8.500 8.270 0.230 19510 3739 1 8 . 1 1 12 12 GLU N N 12 121.398 121.398 120.442 0.956 19510 3740 1 8 . 1 1 12 12 GLU HA H 12 4.326 4.326 4.048 0.278 19510 3741 1 8 . 1 1 12 12 GLU C C 12 176.808 176.808 176.978 -0.170 19510 3742 1 8 . 1 1 12 12 GLU CA C 12 56.517 56.517 58.650 -2.133 19510 3743 1 8 . 1 1 12 12 GLU CB C 12 28.289 28.289 29.265 -0.976 19510 3744 1 8 . 1 1 12 12 GLU H H 12 8.456 8.456 8.412 0.044 19510 3745 1 8 . 1 1 13 13 ALA N N 13 124.231 124.231 119.823 4.408 19510 3746 1 8 . 1 1 13 13 ALA HA H 13 4.309 4.309 4.493 -0.184 19510 3747 1 8 . 1 1 13 13 ALA C C 13 178.197 178.197 178.499 -0.302 19510 3748 1 8 . 1 1 13 13 ALA CA C 13 53.511 53.511 51.871 1.639 19510 3749 1 8 . 1 1 13 13 ALA CB C 13 17.174 17.174 19.825 -2.651 19510 3750 1 8 . 1 1 13 13 ALA H H 13 8.444 8.444 8.438 0.006 19510 3751 1 8 . 1 1 14 14 LYS N N 14 120.159 120.159 120.869 -0.710 19510 3752 1 8 . 1 1 14 14 LYS HA H 14 4.257 4.257 4.120 0.137 19510 3753 1 8 . 1 1 14 14 LYS C C 14 176.757 176.757 178.929 -2.172 19510 3754 1 8 . 1 1 14 14 LYS CA C 14 56.461 56.461 58.749 -2.288 19510 3755 1 8 . 1 1 14 14 LYS CB C 14 31.191 31.191 32.091 -0.900 19510 3756 1 8 . 1 1 14 14 LYS H H 14 8.136 8.136 7.707 0.429 19510 3757 1 8 . 1 1 15 15 PHE N N 15 118.588 118.588 119.182 -0.594 19510 3758 1 8 . 1 1 15 15 PHE HA H 15 4.527 4.527 4.212 0.315 19510 3759 1 8 . 1 1 15 15 PHE C C 15 175.635 175.635 176.856 -1.221 19510 3760 1 8 . 1 1 15 15 PHE CA C 15 57.992 57.992 61.137 -3.145 19510 3761 1 8 . 1 1 15 15 PHE CB C 15 37.908 37.908 38.665 -0.757 19510 3762 1 8 . 1 1 15 15 PHE H H 15 7.998 7.998 7.804 0.194 19510 3763 1 8 . 1 1 16 16 ALA N N 16 122.847 122.847 118.871 3.976 19510 3764 1 8 . 1 1 16 16 ALA HA H 16 4.317 4.317 4.242 0.075 19510 3765 1 8 . 1 1 16 16 ALA C C 16 177.641 177.641 177.727 -0.086 19510 3766 1 8 . 1 1 16 16 ALA CA C 16 52.317 52.317 53.281 -0.964 19510 3767 1 8 . 1 1 16 16 ALA CB C 16 17.378 17.378 19.394 -2.016 19510 3768 1 8 . 1 1 16 16 ALA H H 16 8.172 8.172 7.672 0.500 19510 3769 1 8 . 1 1 17 17 HIS N N 17 115.904 115.904 117.175 -1.271 19510 3770 1 8 . 1 1 17 17 HIS HA H 17 4.839 4.839 4.788 0.051 19510 3771 1 8 . 1 1 17 17 HIS CA C 17 54.594 54.594 55.971 -1.377 19510 3772 1 8 . 1 1 17 17 HIS CB C 17 27.532 27.532 32.365 -4.833 19510 3773 1 8 . 1 1 17 17 HIS H H 17 8.218 8.218 8.079 0.139 19510 3774 1 8 . 1 1 18 18 ASP N N 18 121.432 121.432 117.862 3.570 19510 3775 1 8 . 1 1 18 18 ASP HA H 18 4.758 4.758 4.480 0.278 19510 3776 1 8 . 1 1 18 18 ASP CA C 18 53.004 53.004 55.276 -2.272 19510 3777 1 8 . 1 1 18 18 ASP CB C 18 39.571 39.571 41.137 -1.566 19510 3778 1 8 . 1 1 18 18 ASP H H 18 8.103 8.103 8.494 -0.391 19510 3779 1 8 . 1 1 19 19 ALA N N 19 126.628 126.628 121.805 4.823 19510 3780 1 8 . 1 1 19 19 ALA HA H 19 4.303 4.303 4.381 -0.078 19510 3781 1 8 . 1 1 19 19 ALA CA C 19 53.177 53.177 53.593 -0.416 19510 3782 1 8 . 1 1 19 19 ALA CB C 19 17.231 17.231 19.759 -2.528 19510 3783 1 8 . 1 1 19 19 ALA H H 19 8.588 8.588 8.394 0.194 19510 3784 1 8 . 1 1 20 20 GLU N N 20 119.826 119.826 121.305 -1.479 19510 3785 1 8 . 1 1 20 20 GLU HA H 20 4.314 4.314 4.104 0.210 19510 3786 1 8 . 1 1 20 20 GLU CA C 20 57.403 57.403 58.935 -1.532 19510 3787 1 8 . 1 1 20 20 GLU CB C 20 27.780 27.780 29.175 -1.395 19510 3788 1 8 . 1 1 20 20 GLU H H 20 8.391 8.391 8.715 -0.324 19510 3789 1 8 . 1 1 21 21 LEU N N 21 122.268 122.268 118.768 3.500 19510 3790 1 8 . 1 1 21 21 LEU HA H 21 4.179 4.179 4.111 0.068 19510 3791 1 8 . 1 1 21 21 LEU CA C 21 56.531 56.531 57.288 -0.757 19510 3792 1 8 . 1 1 21 21 LEU CB C 21 40.255 40.255 41.412 -1.157 19510 3793 1 8 . 1 1 21 21 LEU H H 21 8.134 8.134 8.058 0.076 19510 3794 1 8 . 1 1 22 22 ASN N N 22 118.005 118.005 116.926 1.079 19510 3795 1 8 . 1 1 22 22 ASN HA H 22 4.665 4.665 3.644 1.021 19510 3796 1 8 . 1 1 22 22 ASN CA C 22 55.493 55.493 55.238 0.255 19510 3797 1 8 . 1 1 22 22 ASN CB C 22 37.084 37.084 38.041 -0.957 19510 3798 1 8 . 1 1 22 22 ASN H H 22 8.456 8.456 7.264 1.192 19510 3799 1 8 . 1 1 23 23 PHE N N 23 121.379 121.379 122.788 -1.409 19510 3800 1 8 . 1 1 23 23 PHE HA H 23 4.509 4.509 4.070 0.439 19510 3801 1 8 . 1 1 23 23 PHE CA C 23 59.496 59.496 61.034 -1.538 19510 3802 1 8 . 1 1 23 23 PHE CB C 23 37.380 37.380 39.025 -1.645 19510 3803 1 8 . 1 1 23 23 PHE H H 23 8.453 8.453 8.809 -0.356 19510 3804 1 8 . 1 1 24 24 LYS N N 24 120.674 120.674 117.076 3.598 19510 3805 1 8 . 1 1 24 24 LYS HA H 24 4.191 4.191 4.064 0.127 19510 3806 1 8 . 1 1 24 24 LYS C C 24 179.309 179.309 176.896 2.413 19510 3807 1 8 . 1 1 24 24 LYS CA C 24 58.132 58.132 58.586 -0.454 19510 3808 1 8 . 1 1 24 24 LYS CB C 24 31.828 31.828 32.528 -0.700 19510 3809 1 8 . 1 1 24 24 LYS H H 24 8.504 8.504 7.940 0.564 19510 3810 1 8 . 1 1 25 25 ALA N N 25 123.584 123.584 119.233 4.351 19510 3811 1 8 . 1 1 25 25 ALA HA H 25 4.146 4.146 4.435 -0.289 19510 3812 1 8 . 1 1 25 25 ALA C C 25 178.243 178.243 179.069 -0.826 19510 3813 1 8 . 1 1 25 25 ALA CA C 25 53.760 53.760 53.324 0.436 19510 3814 1 8 . 1 1 25 25 ALA CB C 25 16.827 16.827 19.861 -3.034 19510 3815 1 8 . 1 1 25 25 ALA H H 25 8.841 8.841 7.666 1.175 19510 3816 1 8 . 1 1 26 26 GLU N N 26 122.239 122.239 121.437 0.802 19510 3817 1 8 . 1 1 26 26 GLU HA H 26 4.083 4.083 3.841 0.242 19510 3818 1 8 . 1 1 26 26 GLU C C 26 177.265 177.265 177.674 -0.409 19510 3819 1 8 . 1 1 26 26 GLU CA C 26 57.850 57.850 58.983 -1.133 19510 3820 1 8 . 1 1 26 26 GLU CB C 26 28.891 28.891 29.069 -0.178 19510 3821 1 8 . 1 1 26 26 GLU H H 26 8.482 8.482 7.670 0.812 19510 3822 1 8 . 1 1 27 27 ALA N N 27 122.124 122.124 118.352 3.772 19510 3823 1 8 . 1 1 27 27 ALA HA H 27 4.352 4.352 4.460 -0.108 19510 3824 1 8 . 1 1 27 27 ALA C C 27 180.552 180.552 178.123 2.429 19510 3825 1 8 . 1 1 27 27 ALA CA C 27 53.519 53.519 52.218 1.300 19510 3826 1 8 . 1 1 27 27 ALA CB C 27 16.410 16.410 18.152 -1.742 19510 3827 1 8 . 1 1 27 27 ALA H H 27 8.043 8.043 7.423 0.620 19510 3828 1 8 . 1 1 28 28 ARG N N 28 120.375 120.375 117.083 3.292 19510 3829 1 8 . 1 1 28 28 ARG HA H 28 4.441 4.441 4.490 -0.049 19510 3830 1 8 . 1 1 28 28 ARG C C 28 176.309 176.309 177.567 -1.258 19510 3831 1 8 . 1 1 28 28 ARG CA C 28 55.369 55.369 55.662 -0.293 19510 3832 1 8 . 1 1 28 28 ARG CB C 28 28.480 28.480 30.756 -2.276 19510 3833 1 8 . 1 1 28 28 ARG H H 28 8.101 8.101 7.570 0.531 19510 3834 1 8 . 1 1 29 29 ARG N N 29 122.734 122.734 118.390 4.344 19510 3835 1 8 . 1 1 29 29 ARG HA H 29 3.743 3.743 4.096 -0.353 19510 3836 1 8 . 1 1 29 29 ARG CA C 29 58.672 58.672 59.075 -0.403 19510 3837 1 8 . 1 1 29 29 ARG CB C 29 29.051 29.051 30.138 -1.087 19510 3838 1 8 . 1 1 29 29 ARG H H 29 8.901 8.901 7.497 1.404 19510 3839 1 8 . 1 1 30 30 ASN N N 30 119.961 119.961 112.069 7.892 19510 3840 1 8 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.745 -0.111 19510 3841 1 8 . 1 1 30 30 ASN C C 30 175.888 175.888 175.956 -0.068 19510 3842 1 8 . 1 1 30 30 ASN CA C 30 55.147 55.147 53.803 1.345 19510 3843 1 8 . 1 1 30 30 ASN CB C 30 35.418 35.418 39.603 -4.185 19510 3844 1 8 . 1 1 30 30 ASN H H 30 8.429 8.429 8.151 0.278 19510 3845 1 8 . 1 1 31 31 ARG N N 31 123.400 123.400 120.541 2.859 19510 3846 1 8 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.265 0.017 19510 3847 1 8 . 1 1 31 31 ARG C C 31 177.804 177.804 175.814 1.990 19510 3848 1 8 . 1 1 31 31 ARG CA C 31 58.132 58.132 58.042 0.090 19510 3849 1 8 . 1 1 31 31 ARG CB C 31 27.636 27.636 29.038 -1.402 19510 3850 1 8 . 1 1 31 31 ARG H H 31 8.052 8.052 8.534 -0.482 19510 3851 1 8 . 1 1 32 32 LEU N N 32 119.872 119.872 111.942 7.930 19510 3852 1 8 . 1 1 32 32 LEU HA H 32 4.318 4.318 4.737 -0.419 19510 3853 1 8 . 1 1 32 32 LEU C C 32 180.602 180.602 177.369 3.233 19510 3854 1 8 . 1 1 32 32 LEU CA C 32 56.471 56.471 53.777 2.694 19510 3855 1 8 . 1 1 32 32 LEU CB C 32 40.558 40.558 42.019 -1.461 19510 3856 1 8 . 1 1 32 32 LEU H H 32 8.752 8.752 7.592 1.160 19510 3857 1 8 . 1 1 33 33 LEU N N 33 124.468 124.468 123.047 1.421 19510 3858 1 8 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.260 0.041 19510 3859 1 8 . 1 1 33 33 LEU C C 33 177.992 177.992 178.361 -0.369 19510 3860 1 8 . 1 1 33 33 LEU CA C 33 56.482 56.482 57.960 -1.478 19510 3861 1 8 . 1 1 33 33 LEU CB C 33 41.626 41.626 41.826 -0.200 19510 3862 1 8 . 1 1 33 33 LEU H H 33 9.273 9.273 8.181 1.092 19510 3863 1 8 . 1 1 34 34 GLY N N 34 109.045 109.045 106.858 2.187 19510 3864 1 8 . 1 1 34 34 GLY C C 34 174.530 174.530 175.725 -1.195 19510 3865 1 8 . 1 1 34 34 GLY CA C 34 45.447 45.447 47.135 -1.688 19510 3866 1 8 . 1 1 34 34 GLY H H 34 8.907 8.907 8.448 0.459 19510 3867 1 8 . 1 1 35 35 GLU N N 35 123.414 123.414 121.787 1.627 19510 3868 1 8 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.069 0.108 19510 3869 1 8 . 1 1 35 35 GLU C C 35 178.866 178.866 178.703 0.163 19510 3870 1 8 . 1 1 35 35 GLU CA C 35 59.564 59.564 58.634 0.930 19510 3871 1 8 . 1 1 35 35 GLU CB C 35 27.692 27.692 29.228 -1.536 19510 3872 1 8 . 1 1 35 35 GLU H H 35 8.935 8.935 8.157 0.778 19510 3873 1 8 . 1 1 36 36 TRP N N 36 124.774 124.774 122.561 2.213 19510 3874 1 8 . 1 1 36 36 TRP HA H 36 4.604 4.604 4.245 0.359 19510 3875 1 8 . 1 1 36 36 TRP C C 36 177.618 177.618 177.369 0.249 19510 3876 1 8 . 1 1 36 36 TRP CA C 36 58.867 58.867 61.630 -2.763 19510 3877 1 8 . 1 1 36 36 TRP CB C 36 26.021 26.021 29.136 -3.115 19510 3878 1 8 . 1 1 36 36 TRP H H 36 8.531 8.531 7.719 0.812 19510 3879 1 8 . 1 1 37 37 ALA N N 37 123.777 123.777 120.966 2.811 19510 3880 1 8 . 1 1 37 37 ALA HA H 37 3.403 3.403 3.227 0.176 19510 3881 1 8 . 1 1 37 37 ALA C C 37 177.427 177.427 179.228 -1.801 19510 3882 1 8 . 1 1 37 37 ALA CA C 37 53.148 53.148 54.578 -1.430 19510 3883 1 8 . 1 1 37 37 ALA CB C 37 18.440 18.440 17.820 0.620 19510 3884 1 8 . 1 1 37 37 ALA H H 37 9.141 9.141 7.795 1.346 19510 3885 1 8 . 1 1 38 38 ALA N N 38 119.259 119.259 121.232 -1.973 19510 3886 1 8 . 1 1 38 38 ALA HA H 38 3.523 3.523 3.786 -0.263 19510 3887 1 8 . 1 1 38 38 ALA C C 38 178.670 178.670 179.384 -0.714 19510 3888 1 8 . 1 1 38 38 ALA CA C 38 53.882 53.882 55.388 -1.506 19510 3889 1 8 . 1 1 38 38 ALA CB C 38 17.083 17.083 18.368 -1.285 19510 3890 1 8 . 1 1 38 38 ALA H H 38 8.788 8.788 8.748 0.040 19510 3891 1 8 . 1 1 39 39 GLY N N 39 104.011 104.011 106.607 -2.596 19510 3892 1 8 . 1 1 39 39 GLY C C 39 177.232 177.232 177.099 0.133 19510 3893 1 8 . 1 1 39 39 GLY CA C 39 45.519 45.519 46.619 -1.100 19510 3894 1 8 . 1 1 39 39 GLY H H 39 7.756 7.756 7.852 -0.096 19510 3895 1 8 . 1 1 40 40 LEU N N 40 125.340 125.340 122.436 2.904 19510 3896 1 8 . 1 1 40 40 LEU HA H 40 4.111 4.111 3.936 0.175 19510 3897 1 8 . 1 1 40 40 LEU C C 40 178.203 178.203 177.883 0.320 19510 3898 1 8 . 1 1 40 40 LEU CA C 40 56.123 56.123 57.085 -0.962 19510 3899 1 8 . 1 1 40 40 LEU CB C 40 40.764 40.764 41.922 -1.158 19510 3900 1 8 . 1 1 40 40 LEU H H 40 7.511 7.511 7.904 -0.393 19510 3901 1 8 . 1 1 41 41 LEU N N 41 117.234 117.234 113.680 3.554 19510 3902 1 8 . 1 1 41 41 LEU HA H 41 4.139 4.139 4.217 -0.078 19510 3903 1 8 . 1 1 41 41 LEU C C 41 176.119 176.119 177.260 -1.141 19510 3904 1 8 . 1 1 41 41 LEU CA C 41 53.213 53.213 54.308 -1.095 19510 3905 1 8 . 1 1 41 41 LEU CB C 41 41.092 41.092 41.961 -0.869 19510 3906 1 8 . 1 1 41 41 LEU H H 41 7.692 7.692 7.782 -0.090 19510 3907 1 8 . 1 1 42 42 GLY N N 42 109.595 109.595 106.485 3.110 19510 3908 1 8 . 1 1 42 42 GLY C C 42 173.775 173.775 174.610 -0.835 19510 3909 1 8 . 1 1 42 42 GLY CA C 42 44.409 44.409 45.177 -0.768 19510 3910 1 8 . 1 1 42 42 GLY H H 42 7.896 7.896 7.477 0.419 19510 3911 1 8 . 1 1 43 43 LYS N N 43 119.965 119.965 121.613 -1.648 19510 3912 1 8 . 1 1 43 43 LYS HA H 43 4.737 4.737 4.531 0.206 19510 3913 1 8 . 1 1 43 43 LYS C C 43 175.246 175.246 175.506 -0.260 19510 3914 1 8 . 1 1 43 43 LYS CA C 43 54.189 54.189 55.801 -1.612 19510 3915 1 8 . 1 1 43 43 LYS CB C 43 33.208 33.208 33.649 -0.441 19510 3916 1 8 . 1 1 43 43 LYS H H 43 8.104 8.104 8.183 -0.079 19510 3917 1 8 . 1 1 44 44 THR N N 44 114.199 114.199 111.133 3.066 19510 3918 1 8 . 1 1 44 44 THR HA H 44 4.773 4.773 4.507 0.266 19510 3919 1 8 . 1 1 44 44 THR C C 44 174.392 174.392 175.447 -1.055 19510 3920 1 8 . 1 1 44 44 THR CA C 44 58.348 58.348 60.513 -2.165 19510 3921 1 8 . 1 1 44 44 THR CB C 44 70.921 70.921 71.489 -0.568 19510 3922 1 8 . 1 1 44 44 THR H H 44 8.958 8.958 8.223 0.735 19510 3923 1 8 . 1 1 45 45 GLY N N 45 109.657 109.657 109.834 -0.177 19510 3924 1 8 . 1 1 45 45 GLY C C 45 175.330 175.330 175.198 0.132 19510 3925 1 8 . 1 1 45 45 GLY CA C 45 45.315 45.315 45.818 -0.503 19510 3926 1 8 . 1 1 45 45 GLY H H 45 8.885 8.885 8.555 0.330 19510 3927 1 8 . 1 1 46 46 ASP N N 46 128.403 128.403 122.802 5.601 19510 3928 1 8 . 1 1 46 46 ASP HA H 46 4.561 4.561 4.364 0.197 19510 3929 1 8 . 1 1 46 46 ASP C C 46 177.343 177.343 178.152 -0.809 19510 3930 1 8 . 1 1 46 46 ASP CA C 46 55.829 55.829 57.741 -1.912 19510 3931 1 8 . 1 1 46 46 ASP CB C 46 39.039 39.039 40.682 -1.643 19510 3932 1 8 . 1 1 46 46 ASP H H 46 9.318 9.318 8.598 0.720 19510 3933 1 8 . 1 1 47 47 ASP N N 47 121.367 121.367 119.269 2.098 19510 3934 1 8 . 1 1 47 47 ASP HA H 47 4.668 4.668 4.434 0.234 19510 3935 1 8 . 1 1 47 47 ASP CA C 47 55.545 55.545 57.320 -1.775 19510 3936 1 8 . 1 1 47 47 ASP CB C 47 39.415 39.415 40.860 -1.445 19510 3937 1 8 . 1 1 47 47 ASP H H 47 8.521 8.521 8.018 0.503 19510 3938 1 8 . 1 1 48 48 ALA N N 48 123.210 123.210 122.317 0.893 19510 3939 1 8 . 1 1 48 48 ALA HA H 48 3.940 3.940 4.149 -0.209 19510 3940 1 8 . 1 1 48 48 ALA CA C 48 53.331 53.331 54.816 -1.486 19510 3941 1 8 . 1 1 48 48 ALA CB C 48 16.036 16.036 18.788 -2.752 19510 3942 1 8 . 1 1 48 48 ALA H H 48 7.262 7.262 7.276 -0.014 19510 3943 1 8 . 1 1 49 49 ARG N N 49 120.088 120.088 120.276 -0.188 19510 3944 1 8 . 1 1 49 49 ARG HA H 49 4.126 4.126 4.220 -0.094 19510 3945 1 8 . 1 1 49 49 ARG CA C 49 57.876 57.876 59.541 -1.665 19510 3946 1 8 . 1 1 49 49 ARG CB C 49 28.774 28.774 30.465 -1.691 19510 3947 1 8 . 1 1 49 49 ARG H H 49 7.805 7.805 8.494 -0.689 19510 3948 1 8 . 1 1 50 50 ALA N N 50 121.061 121.061 120.065 0.996 19510 3949 1 8 . 1 1 50 50 ALA HA H 50 4.218 4.218 4.149 0.069 19510 3950 1 8 . 1 1 50 50 ALA CA C 50 53.399 53.399 54.795 -1.396 19510 3951 1 8 . 1 1 50 50 ALA CB C 50 16.672 16.672 18.269 -1.597 19510 3952 1 8 . 1 1 50 50 ALA H H 50 8.387 8.387 8.322 0.065 19510 3953 1 8 . 1 1 51 51 TYR N N 51 119.264 119.264 120.961 -1.697 19510 3954 1 8 . 1 1 51 51 TYR HA H 51 4.231 4.231 4.236 -0.005 19510 3955 1 8 . 1 1 51 51 TYR C C 51 178.335 178.335 178.486 -0.151 19510 3956 1 8 . 1 1 51 51 TYR CA C 51 60.493 60.493 60.470 0.023 19510 3957 1 8 . 1 1 51 51 TYR CB C 51 37.094 37.094 38.239 -1.145 19510 3958 1 8 . 1 1 51 51 TYR H H 51 8.095 8.095 7.650 0.445 19510 3959 1 8 . 1 1 52 52 ALA N N 52 124.002 124.002 121.825 2.177 19510 3960 1 8 . 1 1 52 52 ALA HA H 52 3.899 3.899 3.870 0.029 19510 3961 1 8 . 1 1 52 52 ALA C C 52 178.352 178.352 178.712 -0.360 19510 3962 1 8 . 1 1 52 52 ALA CA C 52 54.394 54.394 54.757 -0.363 19510 3963 1 8 . 1 1 52 52 ALA CB C 52 16.369 16.369 18.357 -1.988 19510 3964 1 8 . 1 1 52 52 ALA H H 52 8.651 8.651 8.421 0.230 19510 3965 1 8 . 1 1 53 53 LEU N N 53 116.593 116.593 115.633 0.960 19510 3966 1 8 . 1 1 53 53 LEU HA H 53 4.301 4.301 4.279 0.022 19510 3967 1 8 . 1 1 53 53 LEU C C 53 177.452 177.452 177.894 -0.442 19510 3968 1 8 . 1 1 53 53 LEU CA C 53 55.412 55.412 56.227 -0.815 19510 3969 1 8 . 1 1 53 53 LEU CB C 53 40.510 40.510 42.001 -1.491 19510 3970 1 8 . 1 1 53 53 LEU H H 53 7.664 7.664 7.611 0.053 19510 3971 1 8 . 1 1 54 54 THR N N 54 110.998 110.998 110.602 0.396 19510 3972 1 8 . 1 1 54 54 THR HA H 54 4.401 4.401 4.384 0.017 19510 3973 1 8 . 1 1 54 54 THR CA C 54 61.997 61.997 62.281 -0.284 19510 3974 1 8 . 1 1 54 54 THR CB C 54 67.988 67.988 69.955 -1.967 19510 3975 1 8 . 1 1 54 54 THR H H 54 7.962 7.962 7.740 0.222 19510 3976 1 8 . 1 1 55 55 VAL N N 55 123.907 123.907 123.752 0.155 19510 3977 1 8 . 1 1 55 55 VAL HA H 55 3.869 3.869 4.147 -0.278 19510 3978 1 8 . 1 1 55 55 VAL CA C 55 62.373 62.373 61.889 0.484 19510 3979 1 8 . 1 1 55 55 VAL CB C 55 29.037 29.037 32.049 -3.012 19510 3980 1 8 . 1 1 55 55 VAL H H 55 7.217 7.217 7.305 -0.088 19510 3981 1 8 . 1 1 56 56 VAL N N 56 119.176 119.176 126.320 -7.144 19510 3982 1 8 . 1 1 56 56 VAL HA H 56 4.300 4.300 4.365 -0.065 19510 3983 1 8 . 1 1 56 56 VAL CA C 56 55.363 55.363 60.294 -4.931 19510 3984 1 8 . 1 1 56 56 VAL CB C 56 32.466 32.466 31.262 1.204 19510 3985 1 8 . 1 1 56 56 VAL H H 56 7.474 7.474 8.330 -0.856 19510 3986 1 8 . 1 1 57 57 THR N N 57 114.951 114.951 116.673 -1.722 19510 3987 1 8 . 1 1 57 57 THR HA H 57 4.509 4.509 3.950 0.559 19510 3988 1 8 . 1 1 57 57 THR CA C 57 60.698 60.698 63.808 -3.110 19510 3989 1 8 . 1 1 57 57 THR CB C 57 68.177 68.177 69.283 -1.106 19510 3990 1 8 . 1 1 57 57 THR H H 57 7.992 7.992 8.377 -0.385 19510 3991 1 8 . 1 1 58 58 SER N N 58 119.820 119.820 114.620 5.200 19510 3992 1 8 . 1 1 58 58 SER HA H 58 4.554 4.554 4.583 -0.029 19510 3993 1 8 . 1 1 58 58 SER CA C 58 57.409 57.409 57.605 -0.196 19510 3994 1 8 . 1 1 58 58 SER CB C 58 62.399 62.399 64.199 -1.800 19510 3995 1 8 . 1 1 58 58 SER H H 58 8.473 8.473 8.497 -0.024 19510 3996 1 8 . 1 1 59 59 ASP N N 59 122.199 122.199 121.592 0.607 19510 3997 1 8 . 1 1 59 59 ASP HA H 59 4.762 4.762 4.803 -0.041 19510 3998 1 8 . 1 1 59 59 ASP C C 59 175.459 175.459 175.437 0.022 19510 3999 1 8 . 1 1 59 59 ASP CA C 59 52.469 52.469 54.324 -1.855 19510 4000 1 8 . 1 1 59 59 ASP CB C 59 39.455 39.455 41.633 -2.178 19510 4001 1 8 . 1 1 59 59 ASP H H 59 8.285 8.285 8.534 -0.249 19510 4002 1 8 . 1 1 60 60 PHE HA H 60 4.182 4.182 4.731 -0.549 19510 4003 1 8 . 1 1 60 60 PHE CA C 60 59.253 59.253 58.239 1.014 19510 4004 1 8 . 1 1 60 60 PHE CB C 60 35.163 35.163 42.311 -7.148 19510 4005 1 8 . 1 1 63 63 PRO HA H 63 4.606 4.606 4.298 0.308 19510 4006 1 8 . 1 1 63 63 PRO CA C 63 55.716 55.716 63.156 -7.440 19510 4007 1 8 . 1 1 63 63 PRO CB C 63 30.732 30.732 32.051 -1.319 19510 4008 1 8 . 1 1 64 64 GLY N N 64 110.382 110.382 111.449 -1.067 19510 4009 1 8 . 1 1 64 64 GLY CA C 64 44.280 44.280 45.541 -1.261 19510 4010 1 8 . 1 1 64 64 GLY H H 64 8.706 8.706 8.700 0.006 19510 4011 1 8 . 1 1 65 65 ASP N N 65 121.977 121.977 121.206 0.771 19510 4012 1 8 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.878 -0.215 19510 4013 1 8 . 1 1 65 65 ASP CA C 65 55.765 55.765 53.202 2.563 19510 4014 1 8 . 1 1 65 65 ASP CB C 65 39.579 39.579 40.817 -1.238 19510 4015 1 8 . 1 1 65 65 ASP H H 65 8.661 8.661 8.291 0.370 19510 4016 1 8 . 1 1 66 66 GLU N N 66 120.065 120.065 120.858 -0.793 19510 4017 1 8 . 1 1 66 66 GLU HA H 66 4.437 4.437 4.370 0.067 19510 4018 1 8 . 1 1 66 66 GLU CA C 66 57.520 57.520 58.205 -0.685 19510 4019 1 8 . 1 1 66 66 GLU CB C 66 27.598 27.598 29.825 -2.227 19510 4020 1 8 . 1 1 66 66 GLU H H 66 8.643 8.643 8.230 0.413 19510 4021 1 8 . 1 1 67 67 ASP N N 67 120.033 120.033 124.367 -4.334 19510 4022 1 8 . 1 1 67 67 ASP HA H 67 4.609 4.609 4.472 0.137 19510 4023 1 8 . 1 1 67 67 ASP CA C 67 55.601 55.601 54.611 0.990 19510 4024 1 8 . 1 1 67 67 ASP CB C 67 39.106 39.106 41.765 -2.659 19510 4025 1 8 . 1 1 67 67 ASP H H 67 8.272 8.272 7.449 0.823 19510 4026 1 8 . 1 1 68 68 VAL N N 68 123.206 123.206 120.822 2.384 19510 4027 1 8 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.629 0.188 19510 4028 1 8 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.497 0.218 19510 4029 1 8 . 1 1 68 68 VAL CB C 68 30.705 30.705 31.872 -1.167 19510 4030 1 8 . 1 1 68 68 VAL H H 68 8.045 8.045 7.931 0.114 19510 4031 1 8 . 1 1 69 69 PHE N N 69 120.600 120.600 113.394 7.206 19510 4032 1 8 . 1 1 69 69 PHE HA H 69 4.158 4.158 4.490 -0.332 19510 4033 1 8 . 1 1 69 69 PHE CA C 69 61.013 61.013 59.237 1.776 19510 4034 1 8 . 1 1 69 69 PHE CB C 69 37.455 37.455 37.781 -0.326 19510 4035 1 8 . 1 1 69 69 PHE H H 69 8.488 8.488 6.237 2.251 19510 4036 1 8 . 1 1 70 70 ARG N N 70 117.820 117.820 121.904 -4.084 19510 4037 1 8 . 1 1 70 70 ARG HA H 70 3.755 3.755 4.000 -0.245 19510 4038 1 8 . 1 1 70 70 ARG C C 70 178.813 178.813 178.133 0.680 19510 4039 1 8 . 1 1 70 70 ARG CA C 70 58.184 58.184 59.667 -1.483 19510 4040 1 8 . 1 1 70 70 ARG CB C 70 28.899 28.899 30.215 -1.317 19510 4041 1 8 . 1 1 70 70 ARG H H 70 8.611 8.611 7.529 1.082 19510 4042 1 8 . 1 1 71 71 LYS N N 71 121.726 121.726 115.323 6.403 19510 4043 1 8 . 1 1 71 71 LYS HA H 71 4.253 4.253 4.172 0.081 19510 4044 1 8 . 1 1 71 71 LYS C C 71 177.020 177.020 176.903 0.117 19510 4045 1 8 . 1 1 71 71 LYS CA C 71 58.490 58.490 57.685 0.805 19510 4046 1 8 . 1 1 71 71 LYS CB C 71 31.216 31.216 31.573 -0.357 19510 4047 1 8 . 1 1 71 71 LYS H H 71 7.686 7.686 7.638 0.048 19510 4048 1 8 . 1 1 72 72 LEU N N 72 119.355 119.355 117.159 2.196 19510 4049 1 8 . 1 1 72 72 LEU HA H 72 4.051 4.051 4.397 -0.346 19510 4050 1 8 . 1 1 72 72 LEU C C 72 177.378 177.378 176.221 1.157 19510 4051 1 8 . 1 1 72 72 LEU CA C 72 56.317 56.317 54.382 1.935 19510 4052 1 8 . 1 1 72 72 LEU CB C 72 41.148 41.148 43.222 -2.074 19510 4053 1 8 . 1 1 72 72 LEU H H 72 8.215 8.215 7.445 0.770 19510 4054 1 8 . 1 1 73 73 ALA N N 73 121.106 121.106 121.386 -0.280 19510 4055 1 8 . 1 1 73 73 ALA HA H 73 3.767 3.767 4.326 -0.559 19510 4056 1 8 . 1 1 73 73 ALA C C 73 179.644 179.644 178.087 1.557 19510 4057 1 8 . 1 1 73 73 ALA CA C 73 53.263 53.263 53.372 -0.109 19510 4058 1 8 . 1 1 73 73 ALA CB C 73 15.930 15.930 19.852 -3.922 19510 4059 1 8 . 1 1 73 73 ALA H H 73 9.143 9.143 7.896 1.247 19510 4060 1 8 . 1 1 74 74 ALA N N 74 119.383 119.383 121.751 -2.368 19510 4061 1 8 . 1 1 74 74 ALA HA H 74 4.384 4.384 4.031 0.353 19510 4062 1 8 . 1 1 74 74 ALA C C 74 179.752 179.752 179.999 -0.247 19510 4063 1 8 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.929 -1.405 19510 4064 1 8 . 1 1 74 74 ALA CB C 74 17.094 17.094 18.251 -1.157 19510 4065 1 8 . 1 1 74 74 ALA H H 74 7.403 7.403 8.223 -0.820 19510 4066 1 8 . 1 1 75 75 ASP N N 75 120.226 120.226 118.111 2.115 19510 4067 1 8 . 1 1 75 75 ASP HA H 75 4.523 4.523 4.407 0.116 19510 4068 1 8 . 1 1 75 75 ASP C C 75 177.704 177.704 177.003 0.701 19510 4069 1 8 . 1 1 75 75 ASP CA C 75 55.312 55.312 57.150 -1.838 19510 4070 1 8 . 1 1 75 75 ASP CB C 75 38.326 38.326 41.124 -2.798 19510 4071 1 8 . 1 1 75 75 ASP H H 75 8.536 8.536 7.877 0.659 19510 4072 1 8 . 1 1 76 76 LEU N N 76 115.468 115.468 118.158 -2.690 19510 4073 1 8 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.435 -0.043 19510 4074 1 8 . 1 1 76 76 LEU C C 76 174.790 174.790 175.201 -0.411 19510 4075 1 8 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.260 -0.636 19510 4076 1 8 . 1 1 76 76 LEU CB C 76 39.594 39.594 42.503 -2.909 19510 4077 1 8 . 1 1 76 76 LEU H H 76 8.612 8.612 7.244 1.368 19510 4078 1 8 . 1 1 77 77 GLU N N 77 124.725 124.725 121.133 3.592 19510 4079 1 8 . 1 1 77 77 GLU HA H 77 4.343 4.343 3.993 0.350 19510 4080 1 8 . 1 1 77 77 GLU C C 77 176.953 176.953 177.712 -0.759 19510 4081 1 8 . 1 1 77 77 GLU CA C 77 57.345 57.345 58.202 -0.857 19510 4082 1 8 . 1 1 77 77 GLU CB C 77 27.555 27.555 29.840 -2.285 19510 4083 1 8 . 1 1 77 77 GLU H H 77 7.158 7.158 7.310 -0.152 19510 4084 1 8 . 1 1 78 78 GLY N N 78 118.105 118.105 114.477 3.628 19510 4085 1 8 . 1 1 78 78 GLY C C 78 173.075 173.075 175.041 -1.966 19510 4086 1 8 . 1 1 78 78 GLY CA C 78 44.269 44.269 46.015 -1.746 19510 4087 1 8 . 1 1 78 78 GLY H H 78 9.392 9.392 9.111 0.281 19510 4088 1 8 . 1 1 79 79 LYS N N 79 120.237 120.237 119.162 1.075 19510 4089 1 8 . 1 1 79 79 LYS HA H 79 4.663 4.663 4.495 0.168 19510 4090 1 8 . 1 1 79 79 LYS C C 79 175.050 175.050 174.475 0.575 19510 4091 1 8 . 1 1 79 79 LYS CA C 79 54.683 54.683 55.693 -1.010 19510 4092 1 8 . 1 1 79 79 LYS CB C 79 33.435 33.435 33.275 0.160 19510 4093 1 8 . 1 1 79 79 LYS H H 79 8.809 8.809 8.386 0.423 19510 4094 1 8 . 1 1 80 80 ALA N N 80 121.135 121.135 120.456 0.679 19510 4095 1 8 . 1 1 80 80 ALA HA H 80 4.893 4.893 4.761 0.132 19510 4096 1 8 . 1 1 80 80 ALA C C 80 174.051 174.051 175.152 -1.101 19510 4097 1 8 . 1 1 80 80 ALA CA C 80 50.289 50.289 51.012 -0.723 19510 4098 1 8 . 1 1 80 80 ALA CB C 80 20.483 20.483 21.263 -0.780 19510 4099 1 8 . 1 1 80 80 ALA H H 80 8.169 8.169 7.416 0.753 19510 4100 1 8 . 1 1 81 81 ASP N N 81 121.569 121.569 117.552 4.017 19510 4101 1 8 . 1 1 81 81 ASP HA H 81 4.898 4.898 4.946 -0.048 19510 4102 1 8 . 1 1 81 81 ASP CA C 81 50.397 50.397 53.209 -2.812 19510 4103 1 8 . 1 1 81 81 ASP CB C 81 40.401 40.401 44.634 -4.233 19510 4104 1 8 . 1 1 81 81 ASP H H 81 8.330 8.330 8.375 -0.045 19510 4105 1 8 . 1 1 82 82 GLU N N 82 119.843 119.843 120.871 -1.028 19510 4106 1 8 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.145 0.040 19510 4107 1 8 . 1 1 82 82 GLU C C 82 177.350 177.350 178.475 -1.125 19510 4108 1 8 . 1 1 82 82 GLU CA C 82 59.676 59.676 60.546 -0.870 19510 4109 1 8 . 1 1 82 82 GLU CB C 82 27.893 27.893 29.803 -1.910 19510 4110 1 8 . 1 1 82 82 GLU H H 82 8.923 8.923 8.720 0.203 19510 4111 1 8 . 1 1 83 83 GLU N N 83 119.348 119.348 116.121 3.227 19510 4112 1 8 . 1 1 83 83 GLU HA H 83 4.177 4.177 4.097 0.080 19510 4113 1 8 . 1 1 83 83 GLU C C 83 178.794 178.794 178.884 -0.090 19510 4114 1 8 . 1 1 83 83 GLU CA C 83 59.082 59.082 59.050 0.032 19510 4115 1 8 . 1 1 83 83 GLU CB C 83 28.879 28.879 28.912 -0.033 19510 4116 1 8 . 1 1 83 83 GLU H H 83 8.832 8.832 8.835 -0.003 19510 4117 1 8 . 1 1 84 84 THR N N 84 119.892 119.892 116.462 3.430 19510 4118 1 8 . 1 1 84 84 THR HA H 84 4.140 4.140 4.091 0.049 19510 4119 1 8 . 1 1 84 84 THR C C 84 176.165 176.165 176.105 0.060 19510 4120 1 8 . 1 1 84 84 THR CA C 84 65.721 65.721 65.825 -0.104 19510 4121 1 8 . 1 1 84 84 THR CB C 84 66.751 66.751 68.783 -2.032 19510 4122 1 8 . 1 1 84 84 THR H H 84 8.576 8.576 7.249 1.327 19510 4123 1 8 . 1 1 85 85 ILE N N 85 123.655 123.655 120.625 3.030 19510 4124 1 8 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.749 0.070 19510 4125 1 8 . 1 1 85 85 ILE C C 85 174.809 174.809 177.365 -2.556 19510 4126 1 8 . 1 1 85 85 ILE CA C 85 64.891 64.891 65.175 -0.284 19510 4127 1 8 . 1 1 85 85 ILE CB C 85 37.797 37.797 38.098 -0.301 19510 4128 1 8 . 1 1 85 85 ILE H H 85 8.572 8.572 8.269 0.303 19510 4129 1 8 . 1 1 86 86 ARG N N 86 119.670 119.670 119.554 0.116 19510 4130 1 8 . 1 1 86 86 ARG HA H 86 4.186 4.186 3.571 0.615 19510 4131 1 8 . 1 1 86 86 ARG CA C 86 58.766 58.766 58.691 0.075 19510 4132 1 8 . 1 1 86 86 ARG CB C 86 28.165 28.165 28.319 -0.154 19510 4133 1 8 . 1 1 86 86 ARG H H 86 9.092 9.092 7.240 1.852 19510 4134 1 8 . 1 1 87 87 ALA N N 87 121.431 121.431 117.996 3.435 19510 4135 1 8 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.330 -0.023 19510 4136 1 8 . 1 1 87 87 ALA CA C 87 53.558 53.558 51.786 1.772 19510 4137 1 8 . 1 1 87 87 ALA CB C 87 16.382 16.382 17.688 -1.306 19510 4138 1 8 . 1 1 87 87 ALA H H 87 8.242 8.242 7.402 0.840 19510 4139 1 8 . 1 1 88 88 LYS N N 88 122.742 122.742 118.593 4.149 19510 4140 1 8 . 1 1 88 88 LYS HA H 88 4.011 4.011 4.196 -0.185 19510 4141 1 8 . 1 1 88 88 LYS CA C 88 55.172 55.172 57.475 -2.303 19510 4142 1 8 . 1 1 88 88 LYS CB C 88 29.078 29.078 33.428 -4.351 19510 4143 1 8 . 1 1 88 88 LYS H H 88 8.182 8.182 7.499 0.683 19510 4144 1 8 . 1 1 89 89 MET N N 89 118.686 118.686 119.265 -0.579 19510 4145 1 8 . 1 1 89 89 MET HA H 89 3.854 3.854 4.062 -0.208 19510 4146 1 8 . 1 1 89 89 MET CA C 89 59.175 59.175 59.377 -0.202 19510 4147 1 8 . 1 1 89 89 MET CB C 89 31.697 31.697 32.722 -1.025 19510 4148 1 8 . 1 1 89 89 MET H H 89 8.504 8.504 7.597 0.907 19510 4149 1 8 . 1 1 90 90 VAL N N 90 120.987 120.987 116.631 4.356 19510 4150 1 8 . 1 1 90 90 VAL HA H 90 3.853 3.853 3.798 0.055 19510 4151 1 8 . 1 1 90 90 VAL C C 90 178.017 178.017 177.815 0.202 19510 4152 1 8 . 1 1 90 90 VAL CA C 90 64.868 64.868 65.391 -0.523 19510 4153 1 8 . 1 1 90 90 VAL CB C 90 31.054 31.054 31.516 -0.462 19510 4154 1 8 . 1 1 90 90 VAL H H 90 7.573 7.573 7.554 0.019 19510 4155 1 8 . 1 1 91 91 GLU N N 91 124.236 124.236 120.486 3.750 19510 4156 1 8 . 1 1 91 91 GLU HA H 91 3.802 3.802 4.018 -0.216 19510 4157 1 8 . 1 1 91 91 GLU C C 91 177.612 177.612 178.398 -0.786 19510 4158 1 8 . 1 1 91 91 GLU CA C 91 58.414 58.414 58.986 -0.572 19510 4159 1 8 . 1 1 91 91 GLU CB C 91 30.606 30.606 29.322 1.284 19510 4160 1 8 . 1 1 91 91 GLU H H 91 8.494 8.494 8.226 0.268 19510 4161 1 8 . 1 1 92 92 LEU N N 92 114.818 114.818 117.972 -3.154 19510 4162 1 8 . 1 1 92 92 LEU HA H 92 4.336 4.336 4.314 0.022 19510 4163 1 8 . 1 1 92 92 LEU C C 92 177.928 177.928 177.777 0.151 19510 4164 1 8 . 1 1 92 92 LEU CA C 92 56.351 56.351 55.110 1.241 19510 4165 1 8 . 1 1 92 92 LEU CB C 92 39.780 39.780 41.473 -1.693 19510 4166 1 8 . 1 1 92 92 LEU H H 92 8.833 8.833 7.314 1.519 19510 4167 1 8 . 1 1 93 93 ARG N N 93 123.398 123.398 120.041 3.357 19510 4168 1 8 . 1 1 93 93 ARG HA H 93 3.997 3.997 3.942 0.055 19510 4169 1 8 . 1 1 93 93 ARG C C 93 176.350 176.350 178.683 -2.333 19510 4170 1 8 . 1 1 93 93 ARG CA C 93 58.848 58.848 59.566 -0.718 19510 4171 1 8 . 1 1 93 93 ARG CB C 93 28.592 28.592 29.861 -1.269 19510 4172 1 8 . 1 1 93 93 ARG H H 93 7.746 7.746 7.420 0.327 19510 4173 1 8 . 1 1 94 94 ALA N N 94 122.480 122.480 120.421 2.059 19510 4174 1 8 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.297 -0.036 19510 4175 1 8 . 1 1 94 94 ALA C C 94 179.805 179.805 178.652 1.153 19510 4176 1 8 . 1 1 94 94 ALA CA C 94 54.529 54.529 54.260 0.269 19510 4177 1 8 . 1 1 94 94 ALA CB C 94 16.423 16.423 18.020 -1.597 19510 4178 1 8 . 1 1 94 94 ALA H H 94 7.322 7.322 8.551 -1.229 19510 4179 1 8 . 1 1 95 95 THR N N 95 116.936 116.936 115.622 1.314 19510 4180 1 8 . 1 1 95 95 THR HA H 95 4.045 4.045 3.884 0.161 19510 4181 1 8 . 1 1 95 95 THR C C 95 175.007 175.007 176.038 -1.031 19510 4182 1 8 . 1 1 95 95 THR CA C 95 64.868 64.868 66.084 -1.216 19510 4183 1 8 . 1 1 95 95 THR CB C 95 67.633 67.633 68.406 -0.773 19510 4184 1 8 . 1 1 95 95 THR H H 95 8.275 8.275 7.465 0.810 19510 4185 1 8 . 1 1 96 96 ALA N N 96 123.969 123.969 124.028 -0.059 19510 4186 1 8 . 1 1 96 96 ALA HA H 96 3.904 3.904 4.026 -0.122 19510 4187 1 8 . 1 1 96 96 ALA C C 96 178.184 178.184 179.172 -0.988 19510 4188 1 8 . 1 1 96 96 ALA CA C 96 54.098 54.098 55.132 -1.034 19510 4189 1 8 . 1 1 96 96 ALA CB C 96 18.118 18.118 18.389 -0.271 19510 4190 1 8 . 1 1 96 96 ALA H H 96 8.688 8.688 7.575 1.113 19510 4191 1 8 . 1 1 97 97 ARG N N 97 117.393 117.393 116.985 0.408 19510 4192 1 8 . 1 1 97 97 ARG HA H 97 3.857 3.857 4.120 -0.263 19510 4193 1 8 . 1 1 97 97 ARG C C 97 176.770 176.770 178.380 -1.610 19510 4194 1 8 . 1 1 97 97 ARG CA C 97 58.669 58.669 58.809 -0.140 19510 4195 1 8 . 1 1 97 97 ARG CB C 97 28.932 28.932 29.847 -0.915 19510 4196 1 8 . 1 1 97 97 ARG H H 97 8.073 8.073 7.625 0.448 19510 4197 1 8 . 1 1 98 98 GLU N N 98 118.029 118.029 120.347 -2.318 19510 4198 1 8 . 1 1 98 98 GLU HA H 98 4.180 4.180 3.931 0.249 19510 4199 1 8 . 1 1 98 98 GLU C C 98 178.865 178.865 179.121 -0.256 19510 4200 1 8 . 1 1 98 98 GLU CA C 98 57.867 57.867 59.681 -1.814 19510 4201 1 8 . 1 1 98 98 GLU CB C 98 27.704 27.704 29.362 -1.658 19510 4202 1 8 . 1 1 98 98 GLU H H 98 7.896 7.896 7.894 0.002 19510 4203 1 8 . 1 1 99 99 GLN N N 99 119.735 119.735 118.061 1.674 19510 4204 1 8 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.037 0.148 19510 4205 1 8 . 1 1 99 99 GLN C C 99 178.146 178.146 178.426 -0.280 19510 4206 1 8 . 1 1 99 99 GLN CA C 99 57.748 57.748 58.922 -1.174 19510 4207 1 8 . 1 1 99 99 GLN CB C 99 27.529 27.529 28.677 -1.148 19510 4208 1 8 . 1 1 99 99 GLN H H 99 8.320 8.320 8.249 0.071 19510 4209 1 8 . 1 1 100 100 ILE N N 100 119.676 119.676 117.327 2.349 19510 4210 1 8 . 1 1 100 100 ILE HA H 100 3.993 3.993 3.938 0.055 19510 4211 1 8 . 1 1 100 100 ILE C C 100 178.315 178.315 178.813 -0.498 19510 4212 1 8 . 1 1 100 100 ILE CA C 100 60.935 60.935 63.509 -2.574 19510 4213 1 8 . 1 1 100 100 ILE CB C 100 34.935 34.935 37.514 -2.579 19510 4214 1 8 . 1 1 100 100 ILE H H 100 8.398 8.398 7.552 0.846 19510 4215 1 8 . 1 1 101 101 ILE N N 101 120.600 120.600 118.440 2.160 19510 4216 1 8 . 1 1 101 101 ILE HA H 101 4.027 4.027 3.577 0.450 19510 4217 1 8 . 1 1 101 101 ILE C C 101 177.006 177.006 177.212 -0.206 19510 4218 1 8 . 1 1 101 101 ILE CA C 101 62.382 62.382 63.698 -1.316 19510 4219 1 8 . 1 1 101 101 ILE CB C 101 36.195 36.195 37.279 -1.084 19510 4220 1 8 . 1 1 101 101 ILE H H 101 8.350 8.350 7.672 0.678 19510 4221 1 8 . 1 1 102 102 SER N N 102 116.172 116.172 113.737 2.435 19510 4222 1 8 . 1 1 102 102 SER HA H 102 4.589 4.589 4.378 0.211 19510 4223 1 8 . 1 1 102 102 SER C C 102 173.845 173.845 174.428 -0.583 19510 4224 1 8 . 1 1 102 102 SER CA C 102 58.735 58.735 59.449 -0.714 19510 4225 1 8 . 1 1 102 102 SER CB C 102 62.254 62.254 63.416 -1.161 19510 4226 1 8 . 1 1 102 102 SER H H 102 7.896 7.896 7.403 0.493 19510 4227 1 8 . 1 1 103 103 GLU N N 103 122.642 122.642 120.539 2.103 19510 4228 1 8 . 1 1 103 103 GLU HA H 103 4.473 4.473 4.513 -0.040 19510 4229 1 8 . 1 1 103 103 GLU C C 103 175.095 175.095 175.620 -0.525 19510 4230 1 8 . 1 1 103 103 GLU CA C 103 55.006 55.006 55.467 -0.461 19510 4231 1 8 . 1 1 103 103 GLU CB C 103 28.770 28.770 30.619 -1.849 19510 4232 1 8 . 1 1 103 103 GLU H H 103 7.780 7.780 7.674 0.106 19510 4233 1 9 . 1 1 4 4 PHE N N 4 122.548 122.548 121.639 0.909 19510 4234 1 9 . 1 1 4 4 PHE HA H 4 4.680 4.680 4.913 -0.233 19510 4235 1 9 . 1 1 4 4 PHE CA C 4 57.087 57.087 57.754 -0.666 19510 4236 1 9 . 1 1 4 4 PHE CB C 4 38.126 38.126 39.535 -1.409 19510 4237 1 9 . 1 1 4 4 PHE H H 4 8.328 8.328 8.102 0.226 19510 4238 1 9 . 1 1 7 7 ARG N N 7 121.962 121.962 121.835 0.127 19510 4239 1 9 . 1 1 7 7 ARG HA H 7 4.265 4.265 4.328 -0.063 19510 4240 1 9 . 1 1 7 7 ARG C C 7 176.683 176.683 176.744 -0.061 19510 4241 1 9 . 1 1 7 7 ARG CA C 7 56.502 56.502 55.586 0.916 19510 4242 1 9 . 1 1 7 7 ARG CB C 7 28.840 28.840 28.343 0.497 19510 4243 1 9 . 1 1 7 7 ARG H H 7 8.339 8.339 8.737 -0.398 19510 4244 1 9 . 1 1 8 8 GLU N N 8 121.095 121.095 121.460 -0.365 19510 4245 1 9 . 1 1 8 8 GLU HA H 8 4.233 4.233 4.255 -0.022 19510 4246 1 9 . 1 1 8 8 GLU C C 8 176.964 176.964 176.474 0.490 19510 4247 1 9 . 1 1 8 8 GLU CA C 8 57.517 57.517 58.329 -0.812 19510 4248 1 9 . 1 1 8 8 GLU CB C 8 27.744 27.744 30.261 -2.517 19510 4249 1 9 . 1 1 8 8 GLU H H 8 8.384 8.384 8.083 0.301 19510 4250 1 9 . 1 1 9 9 ARG N N 9 121.320 121.320 119.941 1.379 19510 4251 1 9 . 1 1 9 9 ARG HA H 9 4.310 4.310 4.335 -0.025 19510 4252 1 9 . 1 1 9 9 ARG C C 9 176.563 176.563 175.565 0.998 19510 4253 1 9 . 1 1 9 9 ARG CA C 9 56.233 56.233 55.228 1.005 19510 4254 1 9 . 1 1 9 9 ARG CB C 9 28.977 28.977 31.066 -2.089 19510 4255 1 9 . 1 1 9 9 ARG H H 9 8.291 8.291 8.077 0.214 19510 4256 1 9 . 1 1 10 10 ALA N N 10 123.900 123.900 120.611 3.289 19510 4257 1 9 . 1 1 10 10 ALA HA H 10 4.333 4.333 4.223 0.110 19510 4258 1 9 . 1 1 10 10 ALA C C 10 178.129 178.129 177.973 0.156 19510 4259 1 9 . 1 1 10 10 ALA CA C 10 52.348 52.348 52.403 -0.055 19510 4260 1 9 . 1 1 10 10 ALA CB C 10 17.396 17.396 17.265 0.131 19510 4261 1 9 . 1 1 10 10 ALA H H 10 8.225 8.225 8.534 -0.309 19510 4262 1 9 . 1 1 11 11 HIS N N 11 117.829 117.829 116.394 1.435 19510 4263 1 9 . 1 1 11 11 HIS HA H 11 4.740 4.740 4.217 0.523 19510 4264 1 9 . 1 1 11 11 HIS C C 11 175.013 175.013 176.565 -1.552 19510 4265 1 9 . 1 1 11 11 HIS CA C 11 55.041 55.041 57.342 -2.301 19510 4266 1 9 . 1 1 11 11 HIS CB C 11 27.391 27.391 29.530 -2.139 19510 4267 1 9 . 1 1 11 11 HIS H H 11 8.500 8.500 8.438 0.062 19510 4268 1 9 . 1 1 12 12 GLU N N 12 121.398 121.398 121.506 -0.108 19510 4269 1 9 . 1 1 12 12 GLU HA H 12 4.326 4.326 4.065 0.261 19510 4270 1 9 . 1 1 12 12 GLU C C 12 176.808 176.808 177.154 -0.346 19510 4271 1 9 . 1 1 12 12 GLU CA C 12 56.517 56.517 58.631 -2.114 19510 4272 1 9 . 1 1 12 12 GLU CB C 12 28.289 28.289 28.904 -0.615 19510 4273 1 9 . 1 1 12 12 GLU H H 12 8.456 8.456 8.962 -0.506 19510 4274 1 9 . 1 1 13 13 ALA N N 13 124.231 124.231 119.251 4.980 19510 4275 1 9 . 1 1 13 13 ALA HA H 13 4.309 4.309 4.502 -0.193 19510 4276 1 9 . 1 1 13 13 ALA C C 13 178.197 178.197 177.312 0.885 19510 4277 1 9 . 1 1 13 13 ALA CA C 13 53.511 53.511 51.875 1.636 19510 4278 1 9 . 1 1 13 13 ALA CB C 13 17.174 17.174 20.006 -2.832 19510 4279 1 9 . 1 1 13 13 ALA H H 13 8.444 8.444 7.883 0.561 19510 4280 1 9 . 1 1 14 14 LYS N N 14 120.159 120.159 118.475 1.684 19510 4281 1 9 . 1 1 14 14 LYS HA H 14 4.257 4.257 4.603 -0.346 19510 4282 1 9 . 1 1 14 14 LYS C C 14 176.757 176.757 177.848 -1.091 19510 4283 1 9 . 1 1 14 14 LYS CA C 14 56.461 56.461 56.877 -0.416 19510 4284 1 9 . 1 1 14 14 LYS CB C 14 31.191 31.191 33.867 -2.676 19510 4285 1 9 . 1 1 14 14 LYS H H 14 8.136 8.136 8.068 0.068 19510 4286 1 9 . 1 1 15 15 PHE N N 15 118.588 118.588 120.489 -1.901 19510 4287 1 9 . 1 1 15 15 PHE HA H 15 4.527 4.527 4.291 0.236 19510 4288 1 9 . 1 1 15 15 PHE C C 15 175.635 175.635 176.127 -0.492 19510 4289 1 9 . 1 1 15 15 PHE CA C 15 57.992 57.992 59.886 -1.894 19510 4290 1 9 . 1 1 15 15 PHE CB C 15 37.908 37.908 39.027 -1.119 19510 4291 1 9 . 1 1 15 15 PHE H H 15 7.998 7.998 8.166 -0.168 19510 4292 1 9 . 1 1 16 16 ALA N N 16 122.847 122.847 118.332 4.515 19510 4293 1 9 . 1 1 16 16 ALA HA H 16 4.317 4.317 4.378 -0.061 19510 4294 1 9 . 1 1 16 16 ALA C C 16 177.641 177.641 176.871 0.770 19510 4295 1 9 . 1 1 16 16 ALA CA C 16 52.317 52.317 52.485 -0.168 19510 4296 1 9 . 1 1 16 16 ALA CB C 16 17.378 17.378 18.752 -1.374 19510 4297 1 9 . 1 1 16 16 ALA H H 16 8.172 8.172 8.281 -0.109 19510 4298 1 9 . 1 1 17 17 HIS N N 17 115.904 115.904 116.450 -0.546 19510 4299 1 9 . 1 1 17 17 HIS HA H 17 4.839 4.839 4.560 0.279 19510 4300 1 9 . 1 1 17 17 HIS CA C 17 54.594 54.594 56.017 -1.423 19510 4301 1 9 . 1 1 17 17 HIS CB C 17 27.532 27.532 31.969 -4.437 19510 4302 1 9 . 1 1 17 17 HIS H H 17 8.218 8.218 7.677 0.541 19510 4303 1 9 . 1 1 18 18 ASP N N 18 121.432 121.432 118.655 2.777 19510 4304 1 9 . 1 1 18 18 ASP HA H 18 4.758 4.758 4.433 0.325 19510 4305 1 9 . 1 1 18 18 ASP CA C 18 53.004 53.004 55.399 -2.395 19510 4306 1 9 . 1 1 18 18 ASP CB C 18 39.571 39.571 40.986 -1.415 19510 4307 1 9 . 1 1 18 18 ASP H H 18 8.103 8.103 8.053 0.050 19510 4308 1 9 . 1 1 19 19 ALA N N 19 126.628 126.628 120.076 6.552 19510 4309 1 9 . 1 1 19 19 ALA HA H 19 4.303 4.303 4.431 -0.128 19510 4310 1 9 . 1 1 19 19 ALA CA C 19 53.177 53.177 52.980 0.196 19510 4311 1 9 . 1 1 19 19 ALA CB C 19 17.231 17.231 19.991 -2.760 19510 4312 1 9 . 1 1 19 19 ALA H H 19 8.588 8.588 8.239 0.349 19510 4313 1 9 . 1 1 20 20 GLU N N 20 119.826 119.826 120.166 -0.340 19510 4314 1 9 . 1 1 20 20 GLU HA H 20 4.314 4.314 4.056 0.258 19510 4315 1 9 . 1 1 20 20 GLU CA C 20 57.403 57.403 60.289 -2.886 19510 4316 1 9 . 1 1 20 20 GLU CB C 20 27.780 27.780 29.033 -1.253 19510 4317 1 9 . 1 1 20 20 GLU H H 20 8.391 8.391 8.976 -0.585 19510 4318 1 9 . 1 1 21 21 LEU N N 21 122.268 122.268 118.162 4.106 19510 4319 1 9 . 1 1 21 21 LEU HA H 21 4.179 4.179 4.431 -0.252 19510 4320 1 9 . 1 1 21 21 LEU CA C 21 56.531 56.531 57.000 -0.469 19510 4321 1 9 . 1 1 21 21 LEU CB C 21 40.255 40.255 41.867 -1.612 19510 4322 1 9 . 1 1 21 21 LEU H H 21 8.134 8.134 7.966 0.168 19510 4323 1 9 . 1 1 22 22 ASN N N 22 118.005 118.005 118.935 -0.930 19510 4324 1 9 . 1 1 22 22 ASN HA H 22 4.665 4.665 3.877 0.788 19510 4325 1 9 . 1 1 22 22 ASN CA C 22 55.493 55.493 56.003 -0.510 19510 4326 1 9 . 1 1 22 22 ASN CB C 22 37.084 37.084 38.193 -1.109 19510 4327 1 9 . 1 1 22 22 ASN H H 22 8.456 8.456 7.999 0.457 19510 4328 1 9 . 1 1 23 23 PHE N N 23 121.379 121.379 120.500 0.879 19510 4329 1 9 . 1 1 23 23 PHE HA H 23 4.509 4.509 4.146 0.363 19510 4330 1 9 . 1 1 23 23 PHE CA C 23 59.496 59.496 61.785 -2.289 19510 4331 1 9 . 1 1 23 23 PHE CB C 23 37.380 37.380 39.224 -1.844 19510 4332 1 9 . 1 1 23 23 PHE H H 23 8.453 8.453 8.954 -0.501 19510 4333 1 9 . 1 1 24 24 LYS N N 24 120.674 120.674 117.810 2.864 19510 4334 1 9 . 1 1 24 24 LYS HA H 24 4.191 4.191 3.959 0.232 19510 4335 1 9 . 1 1 24 24 LYS C C 24 179.309 179.309 177.679 1.630 19510 4336 1 9 . 1 1 24 24 LYS CA C 24 58.132 58.132 59.559 -1.427 19510 4337 1 9 . 1 1 24 24 LYS CB C 24 31.828 31.828 32.498 -0.670 19510 4338 1 9 . 1 1 24 24 LYS H H 24 8.504 8.504 7.753 0.751 19510 4339 1 9 . 1 1 25 25 ALA N N 25 123.584 123.584 120.132 3.452 19510 4340 1 9 . 1 1 25 25 ALA HA H 25 4.146 4.146 4.251 -0.105 19510 4341 1 9 . 1 1 25 25 ALA C C 25 178.243 178.243 179.568 -1.325 19510 4342 1 9 . 1 1 25 25 ALA CA C 25 53.760 53.760 54.262 -0.502 19510 4343 1 9 . 1 1 25 25 ALA CB C 25 16.827 16.827 18.897 -2.070 19510 4344 1 9 . 1 1 25 25 ALA H H 25 8.841 8.841 7.399 1.442 19510 4345 1 9 . 1 1 26 26 GLU N N 26 122.239 122.239 120.343 1.896 19510 4346 1 9 . 1 1 26 26 GLU HA H 26 4.083 4.083 3.970 0.113 19510 4347 1 9 . 1 1 26 26 GLU C C 26 177.265 177.265 176.795 0.470 19510 4348 1 9 . 1 1 26 26 GLU CA C 26 57.850 57.850 58.145 -0.295 19510 4349 1 9 . 1 1 26 26 GLU CB C 26 28.891 28.891 29.584 -0.693 19510 4350 1 9 . 1 1 26 26 GLU H H 26 8.482 8.482 8.314 0.168 19510 4351 1 9 . 1 1 27 27 ALA N N 27 122.124 122.124 119.894 2.230 19510 4352 1 9 . 1 1 27 27 ALA HA H 27 4.352 4.352 4.432 -0.080 19510 4353 1 9 . 1 1 27 27 ALA C C 27 180.552 180.552 176.403 4.149 19510 4354 1 9 . 1 1 27 27 ALA CA C 27 53.519 53.519 51.070 2.449 19510 4355 1 9 . 1 1 27 27 ALA CB C 27 16.410 16.410 18.463 -2.053 19510 4356 1 9 . 1 1 27 27 ALA H H 27 8.043 8.043 7.563 0.480 19510 4357 1 9 . 1 1 28 28 ARG N N 28 120.375 120.375 117.515 2.860 19510 4358 1 9 . 1 1 28 28 ARG HA H 28 4.441 4.441 4.540 -0.099 19510 4359 1 9 . 1 1 28 28 ARG C C 28 176.309 176.309 177.192 -0.883 19510 4360 1 9 . 1 1 28 28 ARG CA C 28 55.369 55.369 56.135 -0.766 19510 4361 1 9 . 1 1 28 28 ARG CB C 28 28.480 28.480 30.447 -1.967 19510 4362 1 9 . 1 1 28 28 ARG H H 28 8.101 8.101 7.672 0.429 19510 4363 1 9 . 1 1 29 29 ARG N N 29 122.734 122.734 120.422 2.312 19510 4364 1 9 . 1 1 29 29 ARG HA H 29 3.743 3.743 4.061 -0.318 19510 4365 1 9 . 1 1 29 29 ARG CA C 29 58.672 58.672 58.679 -0.007 19510 4366 1 9 . 1 1 29 29 ARG CB C 29 29.051 29.051 29.269 -0.218 19510 4367 1 9 . 1 1 29 29 ARG H H 29 8.901 8.901 8.323 0.578 19510 4368 1 9 . 1 1 30 30 ASN N N 30 119.961 119.961 116.839 3.122 19510 4369 1 9 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.601 0.032 19510 4370 1 9 . 1 1 30 30 ASN C C 30 175.888 175.888 176.756 -0.868 19510 4371 1 9 . 1 1 30 30 ASN CA C 30 55.147 55.147 55.837 -0.690 19510 4372 1 9 . 1 1 30 30 ASN CB C 30 35.418 35.418 38.200 -2.782 19510 4373 1 9 . 1 1 30 30 ASN H H 30 8.429 8.429 8.413 0.016 19510 4374 1 9 . 1 1 31 31 ARG N N 31 123.400 123.400 120.384 3.016 19510 4375 1 9 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.132 0.150 19510 4376 1 9 . 1 1 31 31 ARG C C 31 177.804 177.804 176.678 1.126 19510 4377 1 9 . 1 1 31 31 ARG CA C 31 58.132 58.132 58.145 -0.013 19510 4378 1 9 . 1 1 31 31 ARG CB C 31 27.636 27.636 30.064 -2.429 19510 4379 1 9 . 1 1 31 31 ARG H H 31 8.052 8.052 7.892 0.160 19510 4380 1 9 . 1 1 32 32 LEU N N 32 119.872 119.872 112.114 7.758 19510 4381 1 9 . 1 1 32 32 LEU HA H 32 4.318 4.318 4.948 -0.630 19510 4382 1 9 . 1 1 32 32 LEU C C 32 180.602 180.602 176.910 3.692 19510 4383 1 9 . 1 1 32 32 LEU CA C 32 56.471 56.471 53.660 2.811 19510 4384 1 9 . 1 1 32 32 LEU CB C 32 40.558 40.558 41.754 -1.196 19510 4385 1 9 . 1 1 32 32 LEU H H 32 8.752 8.752 7.312 1.440 19510 4386 1 9 . 1 1 33 33 LEU N N 33 124.468 124.468 121.871 2.597 19510 4387 1 9 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.069 0.232 19510 4388 1 9 . 1 1 33 33 LEU C C 33 177.992 177.992 178.570 -0.578 19510 4389 1 9 . 1 1 33 33 LEU CA C 33 56.482 56.482 58.219 -1.737 19510 4390 1 9 . 1 1 33 33 LEU CB C 33 41.626 41.626 41.937 -0.311 19510 4391 1 9 . 1 1 33 33 LEU H H 33 9.273 9.273 7.347 1.926 19510 4392 1 9 . 1 1 34 34 GLY N N 34 109.045 109.045 105.527 3.518 19510 4393 1 9 . 1 1 34 34 GLY C C 34 174.530 174.530 175.741 -1.211 19510 4394 1 9 . 1 1 34 34 GLY CA C 34 45.447 45.447 47.215 -1.768 19510 4395 1 9 . 1 1 34 34 GLY H H 34 8.907 8.907 8.719 0.188 19510 4396 1 9 . 1 1 35 35 GLU N N 35 123.414 123.414 121.880 1.534 19510 4397 1 9 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.147 0.030 19510 4398 1 9 . 1 1 35 35 GLU C C 35 178.866 178.866 178.630 0.236 19510 4399 1 9 . 1 1 35 35 GLU CA C 35 59.564 59.564 58.933 0.631 19510 4400 1 9 . 1 1 35 35 GLU CB C 35 27.692 27.692 29.519 -1.827 19510 4401 1 9 . 1 1 35 35 GLU H H 35 8.935 8.935 7.939 0.996 19510 4402 1 9 . 1 1 36 36 TRP N N 36 124.774 124.774 122.423 2.351 19510 4403 1 9 . 1 1 36 36 TRP HA H 36 4.604 4.604 4.296 0.308 19510 4404 1 9 . 1 1 36 36 TRP C C 36 177.618 177.618 177.403 0.215 19510 4405 1 9 . 1 1 36 36 TRP CA C 36 58.867 58.867 60.838 -1.971 19510 4406 1 9 . 1 1 36 36 TRP CB C 36 26.021 26.021 29.161 -3.140 19510 4407 1 9 . 1 1 36 36 TRP H H 36 8.531 8.531 7.654 0.877 19510 4408 1 9 . 1 1 37 37 ALA N N 37 123.777 123.777 119.676 4.101 19510 4409 1 9 . 1 1 37 37 ALA HA H 37 3.403 3.403 3.122 0.281 19510 4410 1 9 . 1 1 37 37 ALA C C 37 177.427 177.427 179.366 -1.939 19510 4411 1 9 . 1 1 37 37 ALA CA C 37 53.148 53.148 53.851 -0.703 19510 4412 1 9 . 1 1 37 37 ALA CB C 37 18.440 18.440 17.576 0.864 19510 4413 1 9 . 1 1 37 37 ALA H H 37 9.141 9.141 7.585 1.556 19510 4414 1 9 . 1 1 38 38 ALA N N 38 119.259 119.259 120.590 -1.331 19510 4415 1 9 . 1 1 38 38 ALA HA H 38 3.523 3.523 3.854 -0.331 19510 4416 1 9 . 1 1 38 38 ALA C C 38 178.670 178.670 179.688 -1.018 19510 4417 1 9 . 1 1 38 38 ALA CA C 38 53.882 53.882 54.673 -0.791 19510 4418 1 9 . 1 1 38 38 ALA CB C 38 17.083 17.083 18.464 -1.381 19510 4419 1 9 . 1 1 38 38 ALA H H 38 8.788 8.788 8.407 0.381 19510 4420 1 9 . 1 1 39 39 GLY N N 39 104.011 104.011 107.977 -3.966 19510 4421 1 9 . 1 1 39 39 GLY C C 39 177.232 177.232 176.842 0.390 19510 4422 1 9 . 1 1 39 39 GLY CA C 39 45.519 45.519 46.976 -1.457 19510 4423 1 9 . 1 1 39 39 GLY H H 39 7.756 7.756 7.809 -0.053 19510 4424 1 9 . 1 1 40 40 LEU N N 40 125.340 125.340 120.981 4.359 19510 4425 1 9 . 1 1 40 40 LEU HA H 40 4.111 4.111 3.948 0.163 19510 4426 1 9 . 1 1 40 40 LEU C C 40 178.203 178.203 177.651 0.552 19510 4427 1 9 . 1 1 40 40 LEU CA C 40 56.123 56.123 56.894 -0.771 19510 4428 1 9 . 1 1 40 40 LEU CB C 40 40.764 40.764 41.770 -1.006 19510 4429 1 9 . 1 1 40 40 LEU H H 40 7.511 7.511 7.823 -0.312 19510 4430 1 9 . 1 1 41 41 LEU N N 41 117.234 117.234 113.996 3.238 19510 4431 1 9 . 1 1 41 41 LEU HA H 41 4.139 4.139 4.221 -0.082 19510 4432 1 9 . 1 1 41 41 LEU C C 41 176.119 176.119 177.696 -1.577 19510 4433 1 9 . 1 1 41 41 LEU CA C 41 53.213 53.213 54.429 -1.216 19510 4434 1 9 . 1 1 41 41 LEU CB C 41 41.092 41.092 42.219 -1.127 19510 4435 1 9 . 1 1 41 41 LEU H H 41 7.692 7.692 7.281 0.411 19510 4436 1 9 . 1 1 42 42 GLY N N 42 109.595 109.595 107.079 2.516 19510 4437 1 9 . 1 1 42 42 GLY C C 42 173.775 173.775 174.691 -0.916 19510 4438 1 9 . 1 1 42 42 GLY CA C 42 44.409 44.409 45.241 -0.832 19510 4439 1 9 . 1 1 42 42 GLY H H 42 7.896 7.896 7.722 0.174 19510 4440 1 9 . 1 1 43 43 LYS N N 43 119.965 119.965 122.264 -2.299 19510 4441 1 9 . 1 1 43 43 LYS HA H 43 4.737 4.737 4.614 0.123 19510 4442 1 9 . 1 1 43 43 LYS C C 43 175.246 175.246 174.820 0.426 19510 4443 1 9 . 1 1 43 43 LYS CA C 43 54.189 54.189 55.152 -0.963 19510 4444 1 9 . 1 1 43 43 LYS CB C 43 33.208 33.208 33.553 -0.345 19510 4445 1 9 . 1 1 43 43 LYS H H 43 8.104 8.104 7.947 0.157 19510 4446 1 9 . 1 1 44 44 THR N N 44 114.199 114.199 114.260 -0.061 19510 4447 1 9 . 1 1 44 44 THR HA H 44 4.773 4.773 4.424 0.349 19510 4448 1 9 . 1 1 44 44 THR C C 44 174.392 174.392 175.138 -0.746 19510 4449 1 9 . 1 1 44 44 THR CA C 44 58.348 58.348 61.219 -2.871 19510 4450 1 9 . 1 1 44 44 THR CB C 44 70.921 70.921 71.288 -0.367 19510 4451 1 9 . 1 1 44 44 THR H H 44 8.958 8.958 8.345 0.613 19510 4452 1 9 . 1 1 45 45 GLY N N 45 109.657 109.657 115.756 -6.099 19510 4453 1 9 . 1 1 45 45 GLY C C 45 175.330 175.330 174.504 0.826 19510 4454 1 9 . 1 1 45 45 GLY CA C 45 45.315 45.315 44.895 0.420 19510 4455 1 9 . 1 1 45 45 GLY H H 45 8.885 8.885 8.352 0.533 19510 4456 1 9 . 1 1 46 46 ASP N N 46 128.403 128.403 122.816 5.587 19510 4457 1 9 . 1 1 46 46 ASP HA H 46 4.561 4.561 4.489 0.072 19510 4458 1 9 . 1 1 46 46 ASP C C 46 177.343 177.343 177.191 0.152 19510 4459 1 9 . 1 1 46 46 ASP CA C 46 55.829 55.829 56.180 -0.351 19510 4460 1 9 . 1 1 46 46 ASP CB C 46 39.039 39.039 41.008 -1.969 19510 4461 1 9 . 1 1 46 46 ASP H H 46 9.318 9.318 8.669 0.649 19510 4462 1 9 . 1 1 47 47 ASP N N 47 121.367 121.367 119.446 1.921 19510 4463 1 9 . 1 1 47 47 ASP HA H 47 4.668 4.668 4.449 0.219 19510 4464 1 9 . 1 1 47 47 ASP CA C 47 55.545 55.545 57.382 -1.837 19510 4465 1 9 . 1 1 47 47 ASP CB C 47 39.415 39.415 40.964 -1.548 19510 4466 1 9 . 1 1 47 47 ASP H H 47 8.521 8.521 8.353 0.168 19510 4467 1 9 . 1 1 48 48 ALA N N 48 123.210 123.210 122.962 0.248 19510 4468 1 9 . 1 1 48 48 ALA HA H 48 3.940 3.940 4.061 -0.121 19510 4469 1 9 . 1 1 48 48 ALA CA C 48 53.331 53.331 55.031 -1.700 19510 4470 1 9 . 1 1 48 48 ALA CB C 48 16.036 16.036 18.321 -2.285 19510 4471 1 9 . 1 1 48 48 ALA H H 48 7.262 7.262 7.672 -0.410 19510 4472 1 9 . 1 1 49 49 ARG N N 49 120.088 120.088 117.870 2.218 19510 4473 1 9 . 1 1 49 49 ARG HA H 49 4.126 4.126 4.120 0.006 19510 4474 1 9 . 1 1 49 49 ARG CA C 49 57.876 57.876 58.346 -0.470 19510 4475 1 9 . 1 1 49 49 ARG CB C 49 28.774 28.774 30.008 -1.234 19510 4476 1 9 . 1 1 49 49 ARG H H 49 7.805 7.805 8.313 -0.508 19510 4477 1 9 . 1 1 50 50 ALA N N 50 121.061 121.061 122.123 -1.062 19510 4478 1 9 . 1 1 50 50 ALA HA H 50 4.218 4.218 4.174 0.044 19510 4479 1 9 . 1 1 50 50 ALA CA C 50 53.399 53.399 54.236 -0.837 19510 4480 1 9 . 1 1 50 50 ALA CB C 50 16.672 16.672 18.571 -1.899 19510 4481 1 9 . 1 1 50 50 ALA H H 50 8.387 8.387 7.566 0.821 19510 4482 1 9 . 1 1 51 51 TYR N N 51 119.264 119.264 121.200 -1.936 19510 4483 1 9 . 1 1 51 51 TYR HA H 51 4.231 4.231 4.101 0.130 19510 4484 1 9 . 1 1 51 51 TYR C C 51 178.335 178.335 177.603 0.732 19510 4485 1 9 . 1 1 51 51 TYR CA C 51 60.493 60.493 60.585 -0.092 19510 4486 1 9 . 1 1 51 51 TYR CB C 51 37.094 37.094 38.376 -1.282 19510 4487 1 9 . 1 1 51 51 TYR H H 51 8.095 8.095 8.142 -0.047 19510 4488 1 9 . 1 1 52 52 ALA N N 52 124.002 124.002 121.441 2.561 19510 4489 1 9 . 1 1 52 52 ALA HA H 52 3.899 3.899 3.879 0.020 19510 4490 1 9 . 1 1 52 52 ALA C C 52 178.352 178.352 177.862 0.490 19510 4491 1 9 . 1 1 52 52 ALA CA C 52 54.394 54.394 54.471 -0.077 19510 4492 1 9 . 1 1 52 52 ALA CB C 52 16.369 16.369 18.488 -2.119 19510 4493 1 9 . 1 1 52 52 ALA H H 52 8.651 8.651 8.393 0.258 19510 4494 1 9 . 1 1 53 53 LEU N N 53 116.593 116.593 113.155 3.438 19510 4495 1 9 . 1 1 53 53 LEU HA H 53 4.301 4.301 4.301 0.000 19510 4496 1 9 . 1 1 53 53 LEU C C 53 177.452 177.452 178.307 -0.855 19510 4497 1 9 . 1 1 53 53 LEU CA C 53 55.412 55.412 55.728 -0.316 19510 4498 1 9 . 1 1 53 53 LEU CB C 53 40.510 40.510 42.042 -1.532 19510 4499 1 9 . 1 1 53 53 LEU H H 53 7.664 7.664 7.551 0.113 19510 4500 1 9 . 1 1 54 54 THR N N 54 110.998 110.998 113.661 -2.663 19510 4501 1 9 . 1 1 54 54 THR HA H 54 4.401 4.401 4.264 0.137 19510 4502 1 9 . 1 1 54 54 THR CA C 54 61.997 61.997 63.966 -1.969 19510 4503 1 9 . 1 1 54 54 THR CB C 54 67.988 67.988 69.537 -1.548 19510 4504 1 9 . 1 1 54 54 THR H H 54 7.962 7.962 7.421 0.541 19510 4505 1 9 . 1 1 55 55 VAL N N 55 123.907 123.907 122.886 1.021 19510 4506 1 9 . 1 1 55 55 VAL HA H 55 3.869 3.869 3.924 -0.055 19510 4507 1 9 . 1 1 55 55 VAL CA C 55 62.373 62.373 62.916 -0.543 19510 4508 1 9 . 1 1 55 55 VAL CB C 55 29.037 29.037 31.449 -2.412 19510 4509 1 9 . 1 1 55 55 VAL H H 55 7.217 7.217 7.521 -0.304 19510 4510 1 9 . 1 1 56 56 VAL N N 56 119.176 119.176 115.685 3.491 19510 4511 1 9 . 1 1 56 56 VAL HA H 56 4.300 4.300 4.435 -0.135 19510 4512 1 9 . 1 1 56 56 VAL CA C 56 55.363 55.363 61.344 -5.981 19510 4513 1 9 . 1 1 56 56 VAL CB C 56 32.466 32.466 30.292 2.174 19510 4514 1 9 . 1 1 56 56 VAL H H 56 7.474 7.474 7.306 0.168 19510 4515 1 9 . 1 1 57 57 THR N N 57 114.951 114.951 118.309 -3.358 19510 4516 1 9 . 1 1 57 57 THR HA H 57 4.509 4.509 4.083 0.426 19510 4517 1 9 . 1 1 57 57 THR CA C 57 60.698 60.698 64.020 -3.322 19510 4518 1 9 . 1 1 57 57 THR CB C 57 68.177 68.177 69.082 -0.905 19510 4519 1 9 . 1 1 57 57 THR H H 57 7.992 7.992 7.905 0.087 19510 4520 1 9 . 1 1 58 58 SER N N 58 119.820 119.820 115.542 4.278 19510 4521 1 9 . 1 1 58 58 SER HA H 58 4.554 4.554 4.213 0.341 19510 4522 1 9 . 1 1 58 58 SER CA C 58 57.409 57.409 59.578 -2.169 19510 4523 1 9 . 1 1 58 58 SER CB C 58 62.399 62.399 62.792 -0.393 19510 4524 1 9 . 1 1 58 58 SER H H 58 8.473 8.473 8.596 -0.123 19510 4525 1 9 . 1 1 59 59 ASP N N 59 122.199 122.199 123.873 -1.674 19510 4526 1 9 . 1 1 59 59 ASP HA H 59 4.762 4.762 4.820 -0.058 19510 4527 1 9 . 1 1 59 59 ASP C C 59 175.459 175.459 174.776 0.683 19510 4528 1 9 . 1 1 59 59 ASP CA C 59 52.469 52.469 54.794 -2.325 19510 4529 1 9 . 1 1 59 59 ASP CB C 59 39.455 39.455 42.190 -2.735 19510 4530 1 9 . 1 1 59 59 ASP H H 59 8.285 8.285 8.139 0.146 19510 4531 1 9 . 1 1 60 60 PHE HA H 60 4.182 4.182 4.527 -0.345 19510 4532 1 9 . 1 1 60 60 PHE CA C 60 59.253 59.253 58.384 0.869 19510 4533 1 9 . 1 1 60 60 PHE CB C 60 35.163 35.163 40.588 -5.425 19510 4534 1 9 . 1 1 63 63 PRO HA H 63 4.606 4.606 4.548 0.058 19510 4535 1 9 . 1 1 63 63 PRO CA C 63 55.716 55.716 62.490 -6.774 19510 4536 1 9 . 1 1 63 63 PRO CB C 63 30.732 30.732 32.282 -1.550 19510 4537 1 9 . 1 1 64 64 GLY N N 64 110.382 110.382 107.356 3.026 19510 4538 1 9 . 1 1 64 64 GLY CA C 64 44.280 44.280 44.682 -0.402 19510 4539 1 9 . 1 1 64 64 GLY H H 64 8.706 8.706 8.142 0.564 19510 4540 1 9 . 1 1 65 65 ASP N N 65 121.977 121.977 119.183 2.794 19510 4541 1 9 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.742 -0.079 19510 4542 1 9 . 1 1 65 65 ASP CA C 65 55.765 55.765 54.709 1.056 19510 4543 1 9 . 1 1 65 65 ASP CB C 65 39.579 39.579 41.518 -1.939 19510 4544 1 9 . 1 1 65 65 ASP H H 65 8.661 8.661 8.340 0.321 19510 4545 1 9 . 1 1 66 66 GLU N N 66 120.065 120.065 117.216 2.849 19510 4546 1 9 . 1 1 66 66 GLU HA H 66 4.437 4.437 3.566 0.871 19510 4547 1 9 . 1 1 66 66 GLU CA C 66 57.520 57.520 55.587 1.933 19510 4548 1 9 . 1 1 66 66 GLU CB C 66 27.598 27.598 30.684 -3.086 19510 4549 1 9 . 1 1 66 66 GLU H H 66 8.643 8.643 6.989 1.654 19510 4550 1 9 . 1 1 67 67 ASP N N 67 120.033 120.033 118.419 1.614 19510 4551 1 9 . 1 1 67 67 ASP HA H 67 4.609 4.609 4.185 0.424 19510 4552 1 9 . 1 1 67 67 ASP CA C 67 55.601 55.601 56.517 -0.916 19510 4553 1 9 . 1 1 67 67 ASP CB C 67 39.106 39.106 39.807 -0.701 19510 4554 1 9 . 1 1 67 67 ASP H H 67 8.272 8.272 8.366 -0.094 19510 4555 1 9 . 1 1 68 68 VAL N N 68 123.206 123.206 118.691 4.515 19510 4556 1 9 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.759 0.058 19510 4557 1 9 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.687 0.028 19510 4558 1 9 . 1 1 68 68 VAL CB C 68 30.705 30.705 32.104 -1.399 19510 4559 1 9 . 1 1 68 68 VAL H H 68 8.045 8.045 7.709 0.336 19510 4560 1 9 . 1 1 69 69 PHE N N 69 120.600 120.600 113.394 7.206 19510 4561 1 9 . 1 1 69 69 PHE HA H 69 4.158 4.158 4.648 -0.490 19510 4562 1 9 . 1 1 69 69 PHE CA C 69 61.013 61.013 57.646 3.367 19510 4563 1 9 . 1 1 69 69 PHE CB C 69 37.455 37.455 37.620 -0.165 19510 4564 1 9 . 1 1 69 69 PHE H H 69 8.488 8.488 7.494 0.994 19510 4565 1 9 . 1 1 70 70 ARG N N 70 117.820 117.820 120.302 -2.482 19510 4566 1 9 . 1 1 70 70 ARG HA H 70 3.755 3.755 4.129 -0.374 19510 4567 1 9 . 1 1 70 70 ARG C C 70 178.813 178.813 176.982 1.831 19510 4568 1 9 . 1 1 70 70 ARG CA C 70 58.184 58.184 58.743 -0.559 19510 4569 1 9 . 1 1 70 70 ARG CB C 70 28.899 28.899 29.688 -0.789 19510 4570 1 9 . 1 1 70 70 ARG H H 70 8.611 8.611 7.513 1.098 19510 4571 1 9 . 1 1 71 71 LYS N N 71 121.726 121.726 115.869 5.857 19510 4572 1 9 . 1 1 71 71 LYS HA H 71 4.253 4.253 4.447 -0.195 19510 4573 1 9 . 1 1 71 71 LYS C C 71 177.020 177.020 176.760 0.260 19510 4574 1 9 . 1 1 71 71 LYS CA C 71 58.490 58.490 56.110 2.380 19510 4575 1 9 . 1 1 71 71 LYS CB C 71 31.216 31.216 33.145 -1.929 19510 4576 1 9 . 1 1 71 71 LYS H H 71 7.686 7.686 7.896 -0.210 19510 4577 1 9 . 1 1 72 72 LEU N N 72 119.355 119.355 121.345 -1.990 19510 4578 1 9 . 1 1 72 72 LEU HA H 72 4.051 4.051 4.617 -0.566 19510 4579 1 9 . 1 1 72 72 LEU C C 72 177.378 177.378 177.577 -0.199 19510 4580 1 9 . 1 1 72 72 LEU CA C 72 56.317 56.317 56.355 -0.037 19510 4581 1 9 . 1 1 72 72 LEU CB C 72 41.148 41.148 42.740 -1.592 19510 4582 1 9 . 1 1 72 72 LEU H H 72 8.215 8.215 8.185 0.030 19510 4583 1 9 . 1 1 73 73 ALA N N 73 121.106 121.106 122.633 -1.527 19510 4584 1 9 . 1 1 73 73 ALA HA H 73 3.767 3.767 4.015 -0.248 19510 4585 1 9 . 1 1 73 73 ALA C C 73 179.644 179.644 179.052 0.592 19510 4586 1 9 . 1 1 73 73 ALA CA C 73 53.263 53.263 55.231 -1.968 19510 4587 1 9 . 1 1 73 73 ALA CB C 73 15.930 15.930 18.477 -2.547 19510 4588 1 9 . 1 1 73 73 ALA H H 73 9.143 9.143 8.342 0.801 19510 4589 1 9 . 1 1 74 74 ALA N N 74 119.383 119.383 117.881 1.502 19510 4590 1 9 . 1 1 74 74 ALA HA H 74 4.384 4.384 4.173 0.211 19510 4591 1 9 . 1 1 74 74 ALA C C 74 179.752 179.752 179.184 0.568 19510 4592 1 9 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.246 -0.722 19510 4593 1 9 . 1 1 74 74 ALA CB C 74 17.094 17.094 18.517 -1.423 19510 4594 1 9 . 1 1 74 74 ALA H H 74 7.403 7.403 8.075 -0.672 19510 4595 1 9 . 1 1 75 75 ASP N N 75 120.226 120.226 119.507 0.719 19510 4596 1 9 . 1 1 75 75 ASP HA H 75 4.523 4.523 4.568 -0.045 19510 4597 1 9 . 1 1 75 75 ASP C C 75 177.704 177.704 178.092 -0.388 19510 4598 1 9 . 1 1 75 75 ASP CA C 75 55.312 55.312 56.207 -0.895 19510 4599 1 9 . 1 1 75 75 ASP CB C 75 38.326 38.326 41.338 -3.012 19510 4600 1 9 . 1 1 75 75 ASP H H 75 8.536 8.536 7.599 0.937 19510 4601 1 9 . 1 1 76 76 LEU N N 76 115.468 115.468 121.068 -5.600 19510 4602 1 9 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.268 0.124 19510 4603 1 9 . 1 1 76 76 LEU C C 76 174.790 174.790 175.393 -0.603 19510 4604 1 9 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.592 -0.968 19510 4605 1 9 . 1 1 76 76 LEU CB C 76 39.594 39.594 39.939 -0.345 19510 4606 1 9 . 1 1 76 76 LEU H H 76 8.612 8.612 8.132 0.480 19510 4607 1 9 . 1 1 77 77 GLU N N 77 124.725 124.725 122.044 2.681 19510 4608 1 9 . 1 1 77 77 GLU HA H 77 4.343 4.343 4.075 0.268 19510 4609 1 9 . 1 1 77 77 GLU C C 77 176.953 176.953 177.601 -0.648 19510 4610 1 9 . 1 1 77 77 GLU CA C 77 57.345 57.345 57.646 -0.301 19510 4611 1 9 . 1 1 77 77 GLU CB C 77 27.555 27.555 29.629 -2.074 19510 4612 1 9 . 1 1 77 77 GLU H H 77 7.158 7.158 7.608 -0.450 19510 4613 1 9 . 1 1 78 78 GLY N N 78 118.105 118.105 113.716 4.389 19510 4614 1 9 . 1 1 78 78 GLY C C 78 173.075 173.075 174.849 -1.774 19510 4615 1 9 . 1 1 78 78 GLY CA C 78 44.269 44.269 45.930 -1.661 19510 4616 1 9 . 1 1 78 78 GLY H H 78 9.392 9.392 8.838 0.554 19510 4617 1 9 . 1 1 79 79 LYS N N 79 120.237 120.237 118.323 1.914 19510 4618 1 9 . 1 1 79 79 LYS HA H 79 4.663 4.663 4.466 0.197 19510 4619 1 9 . 1 1 79 79 LYS C C 79 175.050 175.050 174.530 0.520 19510 4620 1 9 . 1 1 79 79 LYS CA C 79 54.683 54.683 55.770 -1.087 19510 4621 1 9 . 1 1 79 79 LYS CB C 79 33.435 33.435 34.663 -1.228 19510 4622 1 9 . 1 1 79 79 LYS H H 79 8.809 8.809 8.157 0.652 19510 4623 1 9 . 1 1 80 80 ALA N N 80 121.135 121.135 121.444 -0.309 19510 4624 1 9 . 1 1 80 80 ALA HA H 80 4.893 4.893 4.675 0.218 19510 4625 1 9 . 1 1 80 80 ALA C C 80 174.051 174.051 175.401 -1.350 19510 4626 1 9 . 1 1 80 80 ALA CA C 80 50.289 50.289 51.832 -1.543 19510 4627 1 9 . 1 1 80 80 ALA CB C 80 20.483 20.483 20.856 -0.373 19510 4628 1 9 . 1 1 80 80 ALA H H 80 8.169 8.169 7.499 0.670 19510 4629 1 9 . 1 1 81 81 ASP N N 81 121.569 121.569 125.309 -3.740 19510 4630 1 9 . 1 1 81 81 ASP HA H 81 4.898 4.898 4.524 0.374 19510 4631 1 9 . 1 1 81 81 ASP CA C 81 50.397 50.397 53.806 -3.409 19510 4632 1 9 . 1 1 81 81 ASP CB C 81 40.401 40.401 41.633 -1.232 19510 4633 1 9 . 1 1 81 81 ASP H H 81 8.330 8.330 8.159 0.171 19510 4634 1 9 . 1 1 82 82 GLU N N 82 119.843 119.843 120.908 -1.065 19510 4635 1 9 . 1 1 82 82 GLU HA H 82 4.185 4.185 3.719 0.466 19510 4636 1 9 . 1 1 82 82 GLU C C 82 177.350 177.350 178.132 -0.782 19510 4637 1 9 . 1 1 82 82 GLU CA C 82 59.676 59.676 59.868 -0.192 19510 4638 1 9 . 1 1 82 82 GLU CB C 82 27.893 27.893 29.537 -1.644 19510 4639 1 9 . 1 1 82 82 GLU H H 82 8.923 8.923 8.789 0.134 19510 4640 1 9 . 1 1 83 83 GLU N N 83 119.348 119.348 116.702 2.646 19510 4641 1 9 . 1 1 83 83 GLU HA H 83 4.177 4.177 4.158 0.019 19510 4642 1 9 . 1 1 83 83 GLU C C 83 178.794 178.794 178.886 -0.092 19510 4643 1 9 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.473 0.609 19510 4644 1 9 . 1 1 83 83 GLU CB C 83 28.879 28.879 29.247 -0.368 19510 4645 1 9 . 1 1 83 83 GLU H H 83 8.832 8.832 8.663 0.169 19510 4646 1 9 . 1 1 84 84 THR N N 84 119.892 119.892 117.473 2.419 19510 4647 1 9 . 1 1 84 84 THR HA H 84 4.140 4.140 4.036 0.104 19510 4648 1 9 . 1 1 84 84 THR C C 84 176.165 176.165 175.946 0.219 19510 4649 1 9 . 1 1 84 84 THR CA C 84 65.721 65.721 66.903 -1.181 19510 4650 1 9 . 1 1 84 84 THR CB C 84 66.751 66.751 68.779 -2.028 19510 4651 1 9 . 1 1 84 84 THR H H 84 8.576 8.576 7.902 0.674 19510 4652 1 9 . 1 1 85 85 ILE N N 85 123.655 123.655 121.646 2.009 19510 4653 1 9 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.595 0.224 19510 4654 1 9 . 1 1 85 85 ILE C C 85 174.809 174.809 177.247 -2.438 19510 4655 1 9 . 1 1 85 85 ILE CA C 85 64.891 64.891 65.878 -0.987 19510 4656 1 9 . 1 1 85 85 ILE CB C 85 37.797 37.797 37.616 0.181 19510 4657 1 9 . 1 1 85 85 ILE H H 85 8.572 8.572 7.494 1.078 19510 4658 1 9 . 1 1 86 86 ARG N N 86 119.670 119.670 119.840 -0.170 19510 4659 1 9 . 1 1 86 86 ARG HA H 86 4.186 4.186 4.011 0.175 19510 4660 1 9 . 1 1 86 86 ARG CA C 86 58.766 58.766 59.347 -0.581 19510 4661 1 9 . 1 1 86 86 ARG CB C 86 28.165 28.165 28.978 -0.813 19510 4662 1 9 . 1 1 86 86 ARG H H 86 9.092 9.092 7.741 1.351 19510 4663 1 9 . 1 1 87 87 ALA N N 87 121.431 121.431 122.407 -0.976 19510 4664 1 9 . 1 1 87 87 ALA HA H 87 4.307 4.307 3.979 0.328 19510 4665 1 9 . 1 1 87 87 ALA CA C 87 53.558 53.558 54.825 -1.267 19510 4666 1 9 . 1 1 87 87 ALA CB C 87 16.382 16.382 18.080 -1.698 19510 4667 1 9 . 1 1 87 87 ALA H H 87 8.242 8.242 7.747 0.495 19510 4668 1 9 . 1 1 88 88 LYS N N 88 122.742 122.742 118.608 4.134 19510 4669 1 9 . 1 1 88 88 LYS HA H 88 4.011 4.011 3.837 0.174 19510 4670 1 9 . 1 1 88 88 LYS CA C 88 55.172 55.172 58.770 -3.598 19510 4671 1 9 . 1 1 88 88 LYS CB C 88 29.078 29.078 31.387 -2.309 19510 4672 1 9 . 1 1 88 88 LYS H H 88 8.182 8.182 7.895 0.287 19510 4673 1 9 . 1 1 89 89 MET N N 89 118.686 118.686 118.482 0.204 19510 4674 1 9 . 1 1 89 89 MET HA H 89 3.854 3.854 3.846 0.008 19510 4675 1 9 . 1 1 89 89 MET CA C 89 59.175 59.175 59.014 0.161 19510 4676 1 9 . 1 1 89 89 MET CB C 89 31.697 31.697 32.061 -0.364 19510 4677 1 9 . 1 1 89 89 MET H H 89 8.504 8.504 7.852 0.652 19510 4678 1 9 . 1 1 90 90 VAL N N 90 120.987 120.987 118.197 2.790 19510 4679 1 9 . 1 1 90 90 VAL HA H 90 3.853 3.853 3.652 0.201 19510 4680 1 9 . 1 1 90 90 VAL C C 90 178.017 178.017 178.437 -0.420 19510 4681 1 9 . 1 1 90 90 VAL CA C 90 64.868 64.868 65.770 -0.902 19510 4682 1 9 . 1 1 90 90 VAL CB C 90 31.054 31.054 30.872 0.183 19510 4683 1 9 . 1 1 90 90 VAL H H 90 7.573 7.573 7.693 -0.120 19510 4684 1 9 . 1 1 91 91 GLU N N 91 124.236 124.236 120.837 3.399 19510 4685 1 9 . 1 1 91 91 GLU HA H 91 3.802 3.802 3.956 -0.154 19510 4686 1 9 . 1 1 91 91 GLU C C 91 177.612 177.612 179.229 -1.617 19510 4687 1 9 . 1 1 91 91 GLU CA C 91 58.414 58.414 59.544 -1.130 19510 4688 1 9 . 1 1 91 91 GLU CB C 91 30.606 30.606 29.498 1.108 19510 4689 1 9 . 1 1 91 91 GLU H H 91 8.494 8.494 8.009 0.485 19510 4690 1 9 . 1 1 92 92 LEU N N 92 114.818 114.818 117.343 -2.525 19510 4691 1 9 . 1 1 92 92 LEU HA H 92 4.336 4.336 4.165 0.171 19510 4692 1 9 . 1 1 92 92 LEU C C 92 177.928 177.928 177.838 0.090 19510 4693 1 9 . 1 1 92 92 LEU CA C 92 56.351 56.351 55.861 0.490 19510 4694 1 9 . 1 1 92 92 LEU CB C 92 39.780 39.780 41.087 -1.307 19510 4695 1 9 . 1 1 92 92 LEU H H 92 8.833 8.833 7.527 1.306 19510 4696 1 9 . 1 1 93 93 ARG N N 93 123.398 123.398 120.265 3.133 19510 4697 1 9 . 1 1 93 93 ARG HA H 93 3.997 3.997 3.905 0.092 19510 4698 1 9 . 1 1 93 93 ARG C C 93 176.350 176.350 177.558 -1.208 19510 4699 1 9 . 1 1 93 93 ARG CA C 93 58.848 58.848 58.973 -0.125 19510 4700 1 9 . 1 1 93 93 ARG CB C 93 28.592 28.592 29.954 -1.363 19510 4701 1 9 . 1 1 93 93 ARG H H 93 7.746 7.746 7.398 0.348 19510 4702 1 9 . 1 1 94 94 ALA N N 94 122.480 122.480 121.131 1.349 19510 4703 1 9 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.181 0.080 19510 4704 1 9 . 1 1 94 94 ALA C C 94 179.805 179.805 179.081 0.724 19510 4705 1 9 . 1 1 94 94 ALA CA C 94 54.529 54.529 55.185 -0.656 19510 4706 1 9 . 1 1 94 94 ALA CB C 94 16.423 16.423 18.024 -1.601 19510 4707 1 9 . 1 1 94 94 ALA H H 94 7.322 7.322 7.409 -0.087 19510 4708 1 9 . 1 1 95 95 THR N N 95 116.936 116.936 116.456 0.480 19510 4709 1 9 . 1 1 95 95 THR HA H 95 4.045 4.045 3.818 0.227 19510 4710 1 9 . 1 1 95 95 THR C C 95 175.007 175.007 176.510 -1.503 19510 4711 1 9 . 1 1 95 95 THR CA C 95 64.868 64.868 67.260 -2.392 19510 4712 1 9 . 1 1 95 95 THR CB C 95 67.633 67.633 68.330 -0.697 19510 4713 1 9 . 1 1 95 95 THR H H 95 8.275 8.275 8.166 0.109 19510 4714 1 9 . 1 1 96 96 ALA N N 96 123.969 123.969 123.598 0.371 19510 4715 1 9 . 1 1 96 96 ALA HA H 96 3.904 3.904 4.002 -0.098 19510 4716 1 9 . 1 1 96 96 ALA C C 96 178.184 178.184 179.174 -0.990 19510 4717 1 9 . 1 1 96 96 ALA CA C 96 54.098 54.098 55.090 -0.992 19510 4718 1 9 . 1 1 96 96 ALA CB C 96 18.118 18.118 18.366 -0.248 19510 4719 1 9 . 1 1 96 96 ALA H H 96 8.688 8.688 8.103 0.585 19510 4720 1 9 . 1 1 97 97 ARG N N 97 117.393 117.393 116.914 0.479 19510 4721 1 9 . 1 1 97 97 ARG HA H 97 3.857 3.857 4.135 -0.278 19510 4722 1 9 . 1 1 97 97 ARG C C 97 176.770 176.770 178.944 -2.174 19510 4723 1 9 . 1 1 97 97 ARG CA C 97 58.669 58.669 58.617 0.052 19510 4724 1 9 . 1 1 97 97 ARG CB C 97 28.932 28.932 29.813 -0.881 19510 4725 1 9 . 1 1 97 97 ARG H H 97 8.073 8.073 7.606 0.467 19510 4726 1 9 . 1 1 98 98 GLU N N 98 118.029 118.029 120.763 -2.734 19510 4727 1 9 . 1 1 98 98 GLU HA H 98 4.180 4.180 4.091 0.089 19510 4728 1 9 . 1 1 98 98 GLU C C 98 178.865 178.865 178.810 0.055 19510 4729 1 9 . 1 1 98 98 GLU CA C 98 57.867 57.867 59.525 -1.658 19510 4730 1 9 . 1 1 98 98 GLU CB C 98 27.704 27.704 29.253 -1.549 19510 4731 1 9 . 1 1 98 98 GLU H H 98 7.896 7.896 8.505 -0.609 19510 4732 1 9 . 1 1 99 99 GLN N N 99 119.735 119.735 117.016 2.719 19510 4733 1 9 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.113 0.072 19510 4734 1 9 . 1 1 99 99 GLN C C 99 178.146 178.146 178.222 -0.076 19510 4735 1 9 . 1 1 99 99 GLN CA C 99 57.748 57.748 58.017 -0.269 19510 4736 1 9 . 1 1 99 99 GLN CB C 99 27.529 27.529 28.669 -1.141 19510 4737 1 9 . 1 1 99 99 GLN H H 99 8.320 8.320 8.192 0.128 19510 4738 1 9 . 1 1 100 100 ILE N N 100 119.676 119.676 117.594 2.082 19510 4739 1 9 . 1 1 100 100 ILE HA H 100 3.993 3.993 4.009 -0.016 19510 4740 1 9 . 1 1 100 100 ILE C C 100 178.315 178.315 177.934 0.381 19510 4741 1 9 . 1 1 100 100 ILE CA C 100 60.935 60.935 61.517 -0.582 19510 4742 1 9 . 1 1 100 100 ILE CB C 100 34.935 34.935 37.601 -2.666 19510 4743 1 9 . 1 1 100 100 ILE H H 100 8.398 8.398 7.609 0.789 19510 4744 1 9 . 1 1 101 101 ILE N N 101 120.600 120.600 120.083 0.517 19510 4745 1 9 . 1 1 101 101 ILE HA H 101 4.027 4.027 3.642 0.385 19510 4746 1 9 . 1 1 101 101 ILE C C 101 177.006 177.006 177.648 -0.642 19510 4747 1 9 . 1 1 101 101 ILE CA C 101 62.382 62.382 62.441 -0.059 19510 4748 1 9 . 1 1 101 101 ILE CB C 101 36.195 36.195 36.076 0.119 19510 4749 1 9 . 1 1 101 101 ILE H H 101 8.350 8.350 7.677 0.673 19510 4750 1 9 . 1 1 102 102 SER N N 102 116.172 116.172 114.112 2.060 19510 4751 1 9 . 1 1 102 102 SER HA H 102 4.589 4.589 4.487 0.102 19510 4752 1 9 . 1 1 102 102 SER C C 102 173.845 173.845 174.223 -0.378 19510 4753 1 9 . 1 1 102 102 SER CA C 102 58.735 58.735 58.714 0.021 19510 4754 1 9 . 1 1 102 102 SER CB C 102 62.254 62.254 63.174 -0.920 19510 4755 1 9 . 1 1 102 102 SER H H 102 7.896 7.896 7.663 0.233 19510 4756 1 9 . 1 1 103 103 GLU N N 103 122.642 122.642 120.600 2.042 19510 4757 1 9 . 1 1 103 103 GLU HA H 103 4.473 4.473 4.568 -0.095 19510 4758 1 9 . 1 1 103 103 GLU C C 103 175.095 175.095 175.369 -0.274 19510 4759 1 9 . 1 1 103 103 GLU CA C 103 55.006 55.006 55.295 -0.289 19510 4760 1 9 . 1 1 103 103 GLU CB C 103 28.770 28.770 30.354 -1.584 19510 4761 1 9 . 1 1 103 103 GLU H H 103 7.780 7.780 7.691 0.089 19510 4762 1 10 . 1 1 4 4 PHE N N 4 122.548 122.548 122.113 0.435 19510 4763 1 10 . 1 1 4 4 PHE HA H 4 4.680 4.680 4.001 0.679 19510 4764 1 10 . 1 1 4 4 PHE CA C 4 57.087 57.087 60.391 -3.304 19510 4765 1 10 . 1 1 4 4 PHE CB C 4 38.126 38.126 38.527 -0.401 19510 4766 1 10 . 1 1 4 4 PHE H H 4 8.328 8.328 8.708 -0.380 19510 4767 1 10 . 1 1 7 7 ARG N N 7 121.962 121.962 124.374 -2.412 19510 4768 1 10 . 1 1 7 7 ARG HA H 7 4.265 4.265 4.090 0.175 19510 4769 1 10 . 1 1 7 7 ARG C C 7 176.683 176.683 176.705 -0.022 19510 4770 1 10 . 1 1 7 7 ARG CA C 7 56.502 56.502 56.739 -0.237 19510 4771 1 10 . 1 1 7 7 ARG CB C 7 28.840 28.840 30.123 -1.283 19510 4772 1 10 . 1 1 7 7 ARG H H 7 8.339 8.339 8.411 -0.072 19510 4773 1 10 . 1 1 8 8 GLU N N 8 121.095 121.095 124.122 -3.027 19510 4774 1 10 . 1 1 8 8 GLU HA H 8 4.233 4.233 4.310 -0.077 19510 4775 1 10 . 1 1 8 8 GLU C C 8 176.964 176.964 176.581 0.383 19510 4776 1 10 . 1 1 8 8 GLU CA C 8 57.517 57.517 56.427 1.090 19510 4777 1 10 . 1 1 8 8 GLU CB C 8 27.744 27.744 30.686 -2.942 19510 4778 1 10 . 1 1 8 8 GLU H H 8 8.384 8.384 8.616 -0.232 19510 4779 1 10 . 1 1 9 9 ARG N N 9 121.320 121.320 119.459 1.861 19510 4780 1 10 . 1 1 9 9 ARG HA H 9 4.310 4.310 4.348 -0.038 19510 4781 1 10 . 1 1 9 9 ARG C C 9 176.563 176.563 175.568 0.995 19510 4782 1 10 . 1 1 9 9 ARG CA C 9 56.233 56.233 55.270 0.963 19510 4783 1 10 . 1 1 9 9 ARG CB C 9 28.977 28.977 30.807 -1.830 19510 4784 1 10 . 1 1 9 9 ARG H H 9 8.291 8.291 8.350 -0.059 19510 4785 1 10 . 1 1 10 10 ALA N N 10 123.900 123.900 121.132 2.768 19510 4786 1 10 . 1 1 10 10 ALA HA H 10 4.333 4.333 4.055 0.278 19510 4787 1 10 . 1 1 10 10 ALA C C 10 178.129 178.129 177.796 0.333 19510 4788 1 10 . 1 1 10 10 ALA CA C 10 52.348 52.348 52.665 -0.317 19510 4789 1 10 . 1 1 10 10 ALA CB C 10 17.396 17.396 17.744 -0.347 19510 4790 1 10 . 1 1 10 10 ALA H H 10 8.225 8.225 8.523 -0.298 19510 4791 1 10 . 1 1 11 11 HIS N N 11 117.829 117.829 116.534 1.295 19510 4792 1 10 . 1 1 11 11 HIS HA H 11 4.740 4.740 4.244 0.496 19510 4793 1 10 . 1 1 11 11 HIS C C 11 175.013 175.013 176.150 -1.137 19510 4794 1 10 . 1 1 11 11 HIS CA C 11 55.041 55.041 57.068 -2.027 19510 4795 1 10 . 1 1 11 11 HIS CB C 11 27.391 27.391 29.828 -2.437 19510 4796 1 10 . 1 1 11 11 HIS H H 11 8.500 8.500 8.432 0.068 19510 4797 1 10 . 1 1 12 12 GLU N N 12 121.398 121.398 120.643 0.755 19510 4798 1 10 . 1 1 12 12 GLU HA H 12 4.326 4.326 4.117 0.209 19510 4799 1 10 . 1 1 12 12 GLU C C 12 176.808 176.808 178.844 -2.036 19510 4800 1 10 . 1 1 12 12 GLU CA C 12 56.517 56.517 58.889 -2.372 19510 4801 1 10 . 1 1 12 12 GLU CB C 12 28.289 28.289 28.945 -0.656 19510 4802 1 10 . 1 1 12 12 GLU H H 12 8.456 8.456 8.637 -0.181 19510 4803 1 10 . 1 1 13 13 ALA N N 13 124.231 124.231 120.857 3.374 19510 4804 1 10 . 1 1 13 13 ALA HA H 13 4.309 4.309 4.435 -0.126 19510 4805 1 10 . 1 1 13 13 ALA C C 13 178.197 178.197 179.193 -0.996 19510 4806 1 10 . 1 1 13 13 ALA CA C 13 53.511 53.511 52.969 0.542 19510 4807 1 10 . 1 1 13 13 ALA CB C 13 17.174 17.174 18.336 -1.162 19510 4808 1 10 . 1 1 13 13 ALA H H 13 8.444 8.444 8.587 -0.143 19510 4809 1 10 . 1 1 14 14 LYS N N 14 120.159 120.159 119.494 0.665 19510 4810 1 10 . 1 1 14 14 LYS HA H 14 4.257 4.257 4.246 0.011 19510 4811 1 10 . 1 1 14 14 LYS C C 14 176.757 176.757 177.652 -0.895 19510 4812 1 10 . 1 1 14 14 LYS CA C 14 56.461 56.461 57.872 -1.411 19510 4813 1 10 . 1 1 14 14 LYS CB C 14 31.191 31.191 32.078 -0.887 19510 4814 1 10 . 1 1 14 14 LYS H H 14 8.136 8.136 7.577 0.559 19510 4815 1 10 . 1 1 15 15 PHE N N 15 118.588 118.588 118.547 0.041 19510 4816 1 10 . 1 1 15 15 PHE HA H 15 4.527 4.527 4.327 0.200 19510 4817 1 10 . 1 1 15 15 PHE C C 15 175.635 175.635 176.455 -0.820 19510 4818 1 10 . 1 1 15 15 PHE CA C 15 57.992 57.992 61.246 -3.254 19510 4819 1 10 . 1 1 15 15 PHE CB C 15 37.908 37.908 39.228 -1.320 19510 4820 1 10 . 1 1 15 15 PHE H H 15 7.998 7.998 7.759 0.239 19510 4821 1 10 . 1 1 16 16 ALA N N 16 122.847 122.847 118.458 4.389 19510 4822 1 10 . 1 1 16 16 ALA HA H 16 4.317 4.317 4.281 0.036 19510 4823 1 10 . 1 1 16 16 ALA C C 16 177.641 177.641 177.341 0.300 19510 4824 1 10 . 1 1 16 16 ALA CA C 16 52.317 52.317 52.834 -0.517 19510 4825 1 10 . 1 1 16 16 ALA CB C 16 17.378 17.378 18.577 -1.199 19510 4826 1 10 . 1 1 16 16 ALA H H 16 8.172 8.172 8.177 -0.005 19510 4827 1 10 . 1 1 17 17 HIS N N 17 115.904 115.904 116.178 -0.274 19510 4828 1 10 . 1 1 17 17 HIS HA H 17 4.839 4.839 4.737 0.102 19510 4829 1 10 . 1 1 17 17 HIS CA C 17 54.594 54.594 57.134 -2.540 19510 4830 1 10 . 1 1 17 17 HIS CB C 17 27.532 27.532 32.922 -5.390 19510 4831 1 10 . 1 1 17 17 HIS H H 17 8.218 8.218 8.278 -0.060 19510 4832 1 10 . 1 1 18 18 ASP N N 18 121.432 121.432 122.878 -1.446 19510 4833 1 10 . 1 1 18 18 ASP HA H 18 4.758 4.758 4.786 -0.028 19510 4834 1 10 . 1 1 18 18 ASP CA C 18 53.004 53.004 53.910 -0.906 19510 4835 1 10 . 1 1 18 18 ASP CB C 18 39.571 39.571 39.629 -0.058 19510 4836 1 10 . 1 1 18 18 ASP H H 18 8.103 8.103 8.580 -0.477 19510 4837 1 10 . 1 1 19 19 ALA N N 19 126.628 126.628 127.323 -0.695 19510 4838 1 10 . 1 1 19 19 ALA HA H 19 4.303 4.303 3.952 0.351 19510 4839 1 10 . 1 1 19 19 ALA CA C 19 53.177 53.177 55.298 -2.121 19510 4840 1 10 . 1 1 19 19 ALA CB C 19 17.231 17.231 19.081 -1.850 19510 4841 1 10 . 1 1 19 19 ALA H H 19 8.588 8.588 7.761 0.827 19510 4842 1 10 . 1 1 20 20 GLU N N 20 119.826 119.826 118.423 1.403 19510 4843 1 10 . 1 1 20 20 GLU HA H 20 4.314 4.314 4.119 0.195 19510 4844 1 10 . 1 1 20 20 GLU CA C 20 57.403 57.403 58.832 -1.429 19510 4845 1 10 . 1 1 20 20 GLU CB C 20 27.780 27.780 29.151 -1.371 19510 4846 1 10 . 1 1 20 20 GLU H H 20 8.391 8.391 8.488 -0.097 19510 4847 1 10 . 1 1 21 21 LEU N N 21 122.268 122.268 119.523 2.745 19510 4848 1 10 . 1 1 21 21 LEU HA H 21 4.179 4.179 4.000 0.179 19510 4849 1 10 . 1 1 21 21 LEU CA C 21 56.531 56.531 56.755 -0.224 19510 4850 1 10 . 1 1 21 21 LEU CB C 21 40.255 40.255 41.748 -1.493 19510 4851 1 10 . 1 1 21 21 LEU H H 21 8.134 8.134 7.802 0.332 19510 4852 1 10 . 1 1 22 22 ASN N N 22 118.005 118.005 116.995 1.010 19510 4853 1 10 . 1 1 22 22 ASN HA H 22 4.665 4.665 4.082 0.583 19510 4854 1 10 . 1 1 22 22 ASN CA C 22 55.493 55.493 55.336 0.157 19510 4855 1 10 . 1 1 22 22 ASN CB C 22 37.084 37.084 38.396 -1.312 19510 4856 1 10 . 1 1 22 22 ASN H H 22 8.456 8.456 7.705 0.751 19510 4857 1 10 . 1 1 23 23 PHE N N 23 121.379 121.379 120.786 0.593 19510 4858 1 10 . 1 1 23 23 PHE HA H 23 4.509 4.509 4.143 0.366 19510 4859 1 10 . 1 1 23 23 PHE CA C 23 59.496 59.496 61.391 -1.895 19510 4860 1 10 . 1 1 23 23 PHE CB C 23 37.380 37.380 39.267 -1.887 19510 4861 1 10 . 1 1 23 23 PHE H H 23 8.453 8.453 8.566 -0.113 19510 4862 1 10 . 1 1 24 24 LYS N N 24 120.674 120.674 117.994 2.680 19510 4863 1 10 . 1 1 24 24 LYS HA H 24 4.191 4.191 4.011 0.180 19510 4864 1 10 . 1 1 24 24 LYS C C 24 179.309 179.309 177.186 2.123 19510 4865 1 10 . 1 1 24 24 LYS CA C 24 58.132 58.132 59.003 -0.871 19510 4866 1 10 . 1 1 24 24 LYS CB C 24 31.828 31.828 32.413 -0.585 19510 4867 1 10 . 1 1 24 24 LYS H H 24 8.504 8.504 7.837 0.667 19510 4868 1 10 . 1 1 25 25 ALA N N 25 123.584 123.584 117.882 5.702 19510 4869 1 10 . 1 1 25 25 ALA HA H 25 4.146 4.146 4.334 -0.188 19510 4870 1 10 . 1 1 25 25 ALA C C 25 178.243 178.243 178.577 -0.334 19510 4871 1 10 . 1 1 25 25 ALA CA C 25 53.760 53.760 53.814 -0.054 19510 4872 1 10 . 1 1 25 25 ALA CB C 25 16.827 16.827 19.379 -2.552 19510 4873 1 10 . 1 1 25 25 ALA H H 25 8.841 8.841 7.346 1.495 19510 4874 1 10 . 1 1 26 26 GLU N N 26 122.239 122.239 117.080 5.159 19510 4875 1 10 . 1 1 26 26 GLU HA H 26 4.083 4.083 4.166 -0.083 19510 4876 1 10 . 1 1 26 26 GLU C C 26 177.265 177.265 177.054 0.211 19510 4877 1 10 . 1 1 26 26 GLU CA C 26 57.850 57.850 57.217 0.633 19510 4878 1 10 . 1 1 26 26 GLU CB C 26 28.891 28.891 29.811 -0.920 19510 4879 1 10 . 1 1 26 26 GLU H H 26 8.482 8.482 7.611 0.871 19510 4880 1 10 . 1 1 27 27 ALA N N 27 122.124 122.124 122.178 -0.054 19510 4881 1 10 . 1 1 27 27 ALA HA H 27 4.352 4.352 4.137 0.215 19510 4882 1 10 . 1 1 27 27 ALA C C 27 180.552 180.552 178.527 2.025 19510 4883 1 10 . 1 1 27 27 ALA CA C 27 53.519 53.519 52.768 0.751 19510 4884 1 10 . 1 1 27 27 ALA CB C 27 16.410 16.410 19.539 -3.129 19510 4885 1 10 . 1 1 27 27 ALA H H 27 8.043 8.043 7.228 0.815 19510 4886 1 10 . 1 1 28 28 ARG N N 28 120.375 120.375 115.084 5.291 19510 4887 1 10 . 1 1 28 28 ARG HA H 28 4.441 4.441 3.938 0.503 19510 4888 1 10 . 1 1 28 28 ARG C C 28 176.309 176.309 177.951 -1.642 19510 4889 1 10 . 1 1 28 28 ARG CA C 28 55.369 55.369 58.924 -3.555 19510 4890 1 10 . 1 1 28 28 ARG CB C 28 28.480 28.480 28.198 0.282 19510 4891 1 10 . 1 1 28 28 ARG H H 28 8.101 8.101 8.784 -0.683 19510 4892 1 10 . 1 1 29 29 ARG N N 29 122.734 122.734 118.603 4.131 19510 4893 1 10 . 1 1 29 29 ARG HA H 29 3.743 3.743 3.969 -0.226 19510 4894 1 10 . 1 1 29 29 ARG CA C 29 58.672 58.672 58.777 -0.105 19510 4895 1 10 . 1 1 29 29 ARG CB C 29 29.051 29.051 29.899 -0.848 19510 4896 1 10 . 1 1 29 29 ARG H H 29 8.901 8.901 8.182 0.719 19510 4897 1 10 . 1 1 30 30 ASN N N 30 119.961 119.961 114.530 5.431 19510 4898 1 10 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.757 -0.123 19510 4899 1 10 . 1 1 30 30 ASN C C 30 175.888 175.888 176.373 -0.485 19510 4900 1 10 . 1 1 30 30 ASN CA C 30 55.147 55.147 54.186 0.961 19510 4901 1 10 . 1 1 30 30 ASN CB C 30 35.418 35.418 39.187 -3.769 19510 4902 1 10 . 1 1 30 30 ASN H H 30 8.429 8.429 7.938 0.491 19510 4903 1 10 . 1 1 31 31 ARG N N 31 123.400 123.400 122.116 1.284 19510 4904 1 10 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.044 0.238 19510 4905 1 10 . 1 1 31 31 ARG C C 31 177.804 177.804 178.359 -0.555 19510 4906 1 10 . 1 1 31 31 ARG CA C 31 58.132 58.132 58.737 -0.605 19510 4907 1 10 . 1 1 31 31 ARG CB C 31 27.636 27.636 29.589 -1.953 19510 4908 1 10 . 1 1 31 31 ARG H H 31 8.052 8.052 7.851 0.201 19510 4909 1 10 . 1 1 32 32 LEU N N 32 119.872 119.872 117.298 2.574 19510 4910 1 10 . 1 1 32 32 LEU HA H 32 4.318 4.318 4.631 -0.313 19510 4911 1 10 . 1 1 32 32 LEU C C 32 180.602 180.602 177.882 2.720 19510 4912 1 10 . 1 1 32 32 LEU CA C 32 56.471 56.471 56.283 0.188 19510 4913 1 10 . 1 1 32 32 LEU CB C 32 40.558 40.558 41.788 -1.230 19510 4914 1 10 . 1 1 32 32 LEU H H 32 8.752 8.752 7.395 1.357 19510 4915 1 10 . 1 1 33 33 LEU N N 33 124.468 124.468 120.520 3.948 19510 4916 1 10 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.148 0.153 19510 4917 1 10 . 1 1 33 33 LEU C C 33 177.992 177.992 178.654 -0.662 19510 4918 1 10 . 1 1 33 33 LEU CA C 33 56.482 56.482 57.099 -0.617 19510 4919 1 10 . 1 1 33 33 LEU CB C 33 41.626 41.626 41.314 0.312 19510 4920 1 10 . 1 1 33 33 LEU H H 33 9.273 9.273 7.346 1.927 19510 4921 1 10 . 1 1 34 34 GLY N N 34 109.045 109.045 106.409 2.636 19510 4922 1 10 . 1 1 34 34 GLY C C 34 174.530 174.530 175.834 -1.304 19510 4923 1 10 . 1 1 34 34 GLY CA C 34 45.447 45.447 47.204 -1.757 19510 4924 1 10 . 1 1 34 34 GLY H H 34 8.907 8.907 7.876 1.031 19510 4925 1 10 . 1 1 35 35 GLU N N 35 123.414 123.414 121.694 1.720 19510 4926 1 10 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.173 0.004 19510 4927 1 10 . 1 1 35 35 GLU C C 35 178.866 178.866 178.687 0.179 19510 4928 1 10 . 1 1 35 35 GLU CA C 35 59.564 59.564 58.946 0.618 19510 4929 1 10 . 1 1 35 35 GLU CB C 35 27.692 27.692 29.642 -1.950 19510 4930 1 10 . 1 1 35 35 GLU H H 35 8.935 8.935 7.872 1.063 19510 4931 1 10 . 1 1 36 36 TRP N N 36 124.774 124.774 122.395 2.379 19510 4932 1 10 . 1 1 36 36 TRP HA H 36 4.604 4.604 4.331 0.273 19510 4933 1 10 . 1 1 36 36 TRP C C 36 177.618 177.618 177.719 -0.101 19510 4934 1 10 . 1 1 36 36 TRP CA C 36 58.867 58.867 61.316 -2.449 19510 4935 1 10 . 1 1 36 36 TRP CB C 36 26.021 26.021 29.416 -3.394 19510 4936 1 10 . 1 1 36 36 TRP H H 36 8.531 8.531 7.504 1.027 19510 4937 1 10 . 1 1 37 37 ALA N N 37 123.777 123.777 120.647 3.130 19510 4938 1 10 . 1 1 37 37 ALA HA H 37 3.403 3.403 3.452 -0.049 19510 4939 1 10 . 1 1 37 37 ALA C C 37 177.427 177.427 179.498 -2.071 19510 4940 1 10 . 1 1 37 37 ALA CA C 37 53.148 53.148 54.930 -1.782 19510 4941 1 10 . 1 1 37 37 ALA CB C 37 18.440 18.440 17.840 0.600 19510 4942 1 10 . 1 1 37 37 ALA H H 37 9.141 9.141 8.237 0.904 19510 4943 1 10 . 1 1 38 38 ALA N N 38 119.259 119.259 121.163 -1.904 19510 4944 1 10 . 1 1 38 38 ALA HA H 38 3.523 3.523 3.840 -0.317 19510 4945 1 10 . 1 1 38 38 ALA C C 38 178.670 178.670 179.448 -0.778 19510 4946 1 10 . 1 1 38 38 ALA CA C 38 53.882 53.882 55.307 -1.425 19510 4947 1 10 . 1 1 38 38 ALA CB C 38 17.083 17.083 18.360 -1.277 19510 4948 1 10 . 1 1 38 38 ALA H H 38 8.788 8.788 8.718 0.070 19510 4949 1 10 . 1 1 39 39 GLY N N 39 104.011 104.011 107.464 -3.453 19510 4950 1 10 . 1 1 39 39 GLY C C 39 177.232 177.232 176.956 0.276 19510 4951 1 10 . 1 1 39 39 GLY CA C 39 45.519 45.519 46.876 -1.357 19510 4952 1 10 . 1 1 39 39 GLY H H 39 7.756 7.756 7.993 -0.237 19510 4953 1 10 . 1 1 40 40 LEU N N 40 125.340 125.340 122.277 3.063 19510 4954 1 10 . 1 1 40 40 LEU HA H 40 4.111 4.111 3.818 0.293 19510 4955 1 10 . 1 1 40 40 LEU C C 40 178.203 178.203 178.171 0.032 19510 4956 1 10 . 1 1 40 40 LEU CA C 40 56.123 56.123 57.023 -0.900 19510 4957 1 10 . 1 1 40 40 LEU CB C 40 40.764 40.764 41.648 -0.884 19510 4958 1 10 . 1 1 40 40 LEU H H 40 7.511 7.511 7.824 -0.313 19510 4959 1 10 . 1 1 41 41 LEU N N 41 117.234 117.234 114.135 3.099 19510 4960 1 10 . 1 1 41 41 LEU HA H 41 4.139 4.139 4.071 0.068 19510 4961 1 10 . 1 1 41 41 LEU C C 41 176.119 176.119 177.869 -1.750 19510 4962 1 10 . 1 1 41 41 LEU CA C 41 53.213 53.213 55.182 -1.969 19510 4963 1 10 . 1 1 41 41 LEU CB C 41 41.092 41.092 42.070 -0.978 19510 4964 1 10 . 1 1 41 41 LEU H H 41 7.692 7.692 7.811 -0.119 19510 4965 1 10 . 1 1 42 42 GLY N N 42 109.595 109.595 106.369 3.226 19510 4966 1 10 . 1 1 42 42 GLY C C 42 173.775 173.775 174.442 -0.667 19510 4967 1 10 . 1 1 42 42 GLY CA C 42 44.409 44.409 45.176 -0.767 19510 4968 1 10 . 1 1 42 42 GLY H H 42 7.896 7.896 7.405 0.491 19510 4969 1 10 . 1 1 43 43 LYS N N 43 119.965 119.965 122.905 -2.940 19510 4970 1 10 . 1 1 43 43 LYS HA H 43 4.737 4.737 4.415 0.322 19510 4971 1 10 . 1 1 43 43 LYS C C 43 175.246 175.246 175.345 -0.099 19510 4972 1 10 . 1 1 43 43 LYS CA C 43 54.189 54.189 56.006 -1.817 19510 4973 1 10 . 1 1 43 43 LYS CB C 43 33.208 33.208 33.239 -0.031 19510 4974 1 10 . 1 1 43 43 LYS H H 43 8.104 8.104 8.035 0.069 19510 4975 1 10 . 1 1 44 44 THR N N 44 114.199 114.199 112.260 1.939 19510 4976 1 10 . 1 1 44 44 THR HA H 44 4.773 4.773 4.487 0.286 19510 4977 1 10 . 1 1 44 44 THR C C 44 174.392 174.392 174.407 -0.015 19510 4978 1 10 . 1 1 44 44 THR CA C 44 58.348 58.348 60.346 -1.998 19510 4979 1 10 . 1 1 44 44 THR CB C 44 70.921 70.921 71.856 -0.935 19510 4980 1 10 . 1 1 44 44 THR H H 44 8.958 8.958 8.259 0.699 19510 4981 1 10 . 1 1 45 45 GLY N N 45 109.657 109.657 112.111 -2.454 19510 4982 1 10 . 1 1 45 45 GLY C C 45 175.330 175.330 174.960 0.370 19510 4983 1 10 . 1 1 45 45 GLY CA C 45 45.315 45.315 45.577 -0.262 19510 4984 1 10 . 1 1 45 45 GLY H H 45 8.885 8.885 8.414 0.471 19510 4985 1 10 . 1 1 46 46 ASP N N 46 128.403 128.403 124.043 4.360 19510 4986 1 10 . 1 1 46 46 ASP HA H 46 4.561 4.561 4.412 0.149 19510 4987 1 10 . 1 1 46 46 ASP C C 46 177.343 177.343 177.681 -0.338 19510 4988 1 10 . 1 1 46 46 ASP CA C 46 55.829 55.829 56.682 -0.853 19510 4989 1 10 . 1 1 46 46 ASP CB C 46 39.039 39.039 40.819 -1.780 19510 4990 1 10 . 1 1 46 46 ASP H H 46 9.318 9.318 8.836 0.482 19510 4991 1 10 . 1 1 47 47 ASP N N 47 121.367 121.367 119.770 1.597 19510 4992 1 10 . 1 1 47 47 ASP HA H 47 4.668 4.668 4.355 0.313 19510 4993 1 10 . 1 1 47 47 ASP CA C 47 55.545 55.545 57.706 -2.161 19510 4994 1 10 . 1 1 47 47 ASP CB C 47 39.415 39.415 40.639 -1.224 19510 4995 1 10 . 1 1 47 47 ASP H H 47 8.521 8.521 8.274 0.247 19510 4996 1 10 . 1 1 48 48 ALA N N 48 123.210 123.210 122.100 1.110 19510 4997 1 10 . 1 1 48 48 ALA HA H 48 3.940 3.940 4.234 -0.294 19510 4998 1 10 . 1 1 48 48 ALA CA C 48 53.331 53.331 54.958 -1.627 19510 4999 1 10 . 1 1 48 48 ALA CB C 48 16.036 16.036 18.890 -2.854 19510 5000 1 10 . 1 1 48 48 ALA H H 48 7.262 7.262 7.682 -0.420 19510 5001 1 10 . 1 1 49 49 ARG N N 49 120.088 120.088 119.116 0.972 19510 5002 1 10 . 1 1 49 49 ARG HA H 49 4.126 4.126 3.942 0.184 19510 5003 1 10 . 1 1 49 49 ARG CA C 49 57.876 57.876 59.378 -1.502 19510 5004 1 10 . 1 1 49 49 ARG CB C 49 28.774 28.774 30.122 -1.348 19510 5005 1 10 . 1 1 49 49 ARG H H 49 7.805 7.805 8.331 -0.526 19510 5006 1 10 . 1 1 50 50 ALA N N 50 121.061 121.061 121.281 -0.220 19510 5007 1 10 . 1 1 50 50 ALA HA H 50 4.218 4.218 4.063 0.155 19510 5008 1 10 . 1 1 50 50 ALA CA C 50 53.399 53.399 54.815 -1.416 19510 5009 1 10 . 1 1 50 50 ALA CB C 50 16.672 16.672 18.348 -1.676 19510 5010 1 10 . 1 1 50 50 ALA H H 50 8.387 8.387 8.383 0.004 19510 5011 1 10 . 1 1 51 51 TYR N N 51 119.264 119.264 121.520 -2.256 19510 5012 1 10 . 1 1 51 51 TYR HA H 51 4.231 4.231 4.161 0.070 19510 5013 1 10 . 1 1 51 51 TYR C C 51 178.335 178.335 177.070 1.265 19510 5014 1 10 . 1 1 51 51 TYR CA C 51 60.493 60.493 60.005 0.488 19510 5015 1 10 . 1 1 51 51 TYR CB C 51 37.094 37.094 38.313 -1.219 19510 5016 1 10 . 1 1 51 51 TYR H H 51 8.095 8.095 7.573 0.522 19510 5017 1 10 . 1 1 52 52 ALA N N 52 124.002 124.002 120.490 3.512 19510 5018 1 10 . 1 1 52 52 ALA HA H 52 3.899 3.899 3.694 0.205 19510 5019 1 10 . 1 1 52 52 ALA C C 52 178.352 178.352 178.796 -0.444 19510 5020 1 10 . 1 1 52 52 ALA CA C 52 54.394 54.394 53.828 0.566 19510 5021 1 10 . 1 1 52 52 ALA CB C 52 16.369 16.369 17.951 -1.582 19510 5022 1 10 . 1 1 52 52 ALA H H 52 8.651 8.651 8.367 0.284 19510 5023 1 10 . 1 1 53 53 LEU N N 53 116.593 116.593 116.050 0.543 19510 5024 1 10 . 1 1 53 53 LEU HA H 53 4.301 4.301 4.136 0.165 19510 5025 1 10 . 1 1 53 53 LEU C C 53 177.452 177.452 178.062 -0.610 19510 5026 1 10 . 1 1 53 53 LEU CA C 53 55.412 55.412 56.615 -1.203 19510 5027 1 10 . 1 1 53 53 LEU CB C 53 40.510 40.510 42.097 -1.587 19510 5028 1 10 . 1 1 53 53 LEU H H 53 7.664 7.664 7.303 0.361 19510 5029 1 10 . 1 1 54 54 THR N N 54 110.998 110.998 114.378 -3.380 19510 5030 1 10 . 1 1 54 54 THR HA H 54 4.401 4.401 4.491 -0.090 19510 5031 1 10 . 1 1 54 54 THR CA C 54 61.997 61.997 61.759 0.238 19510 5032 1 10 . 1 1 54 54 THR CB C 54 67.988 67.988 68.706 -0.718 19510 5033 1 10 . 1 1 54 54 THR H H 54 7.962 7.962 7.973 -0.011 19510 5034 1 10 . 1 1 55 55 VAL N N 55 123.907 123.907 119.408 4.499 19510 5035 1 10 . 1 1 55 55 VAL HA H 55 3.869 3.869 4.421 -0.552 19510 5036 1 10 . 1 1 55 55 VAL CA C 55 62.373 62.373 60.816 1.557 19510 5037 1 10 . 1 1 55 55 VAL CB C 55 29.037 29.037 32.330 -3.293 19510 5038 1 10 . 1 1 55 55 VAL H H 55 7.217 7.217 7.855 -0.638 19510 5039 1 10 . 1 1 56 56 VAL N N 56 119.176 119.176 123.921 -4.745 19510 5040 1 10 . 1 1 56 56 VAL HA H 56 4.300 4.300 4.222 0.078 19510 5041 1 10 . 1 1 56 56 VAL CA C 56 55.363 55.363 62.873 -7.510 19510 5042 1 10 . 1 1 56 56 VAL CB C 56 32.466 32.466 29.663 2.803 19510 5043 1 10 . 1 1 56 56 VAL H H 56 7.474 7.474 7.683 -0.209 19510 5044 1 10 . 1 1 57 57 THR N N 57 114.951 114.951 123.111 -8.160 19510 5045 1 10 . 1 1 57 57 THR HA H 57 4.509 4.509 4.551 -0.042 19510 5046 1 10 . 1 1 57 57 THR CA C 57 60.698 60.698 61.142 -0.445 19510 5047 1 10 . 1 1 57 57 THR CB C 57 68.177 68.177 70.093 -1.916 19510 5048 1 10 . 1 1 57 57 THR H H 57 7.992 7.992 8.040 -0.048 19510 5049 1 10 . 1 1 58 58 SER N N 58 119.820 119.820 123.033 -3.213 19510 5050 1 10 . 1 1 58 58 SER HA H 58 4.554 4.554 4.680 -0.126 19510 5051 1 10 . 1 1 58 58 SER CA C 58 57.409 57.409 57.753 -0.344 19510 5052 1 10 . 1 1 58 58 SER CB C 58 62.399 62.399 64.628 -2.229 19510 5053 1 10 . 1 1 58 58 SER H H 58 8.473 8.473 8.362 0.111 19510 5054 1 10 . 1 1 59 59 ASP N N 59 122.199 122.199 125.361 -3.162 19510 5055 1 10 . 1 1 59 59 ASP HA H 59 4.762 4.762 4.901 -0.139 19510 5056 1 10 . 1 1 59 59 ASP C C 59 175.459 175.459 174.166 1.293 19510 5057 1 10 . 1 1 59 59 ASP CA C 59 52.469 52.469 54.265 -1.796 19510 5058 1 10 . 1 1 59 59 ASP CB C 59 39.455 39.455 41.344 -1.889 19510 5059 1 10 . 1 1 59 59 ASP H H 59 8.285 8.285 8.540 -0.255 19510 5060 1 10 . 1 1 60 60 PHE HA H 60 4.182 4.182 4.532 -0.350 19510 5061 1 10 . 1 1 60 60 PHE CA C 60 59.253 59.253 57.700 1.553 19510 5062 1 10 . 1 1 60 60 PHE CB C 60 35.163 35.163 41.831 -6.668 19510 5063 1 10 . 1 1 63 63 PRO HA H 63 4.606 4.606 4.569 0.037 19510 5064 1 10 . 1 1 63 63 PRO CA C 63 55.716 55.716 62.909 -7.193 19510 5065 1 10 . 1 1 63 63 PRO CB C 63 30.732 30.732 32.814 -2.082 19510 5066 1 10 . 1 1 64 64 GLY N N 64 110.382 110.382 107.861 2.521 19510 5067 1 10 . 1 1 64 64 GLY CA C 64 44.280 44.280 45.521 -1.241 19510 5068 1 10 . 1 1 64 64 GLY H H 64 8.706 8.706 8.978 -0.272 19510 5069 1 10 . 1 1 65 65 ASP N N 65 121.977 121.977 118.803 3.174 19510 5070 1 10 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.738 -0.075 19510 5071 1 10 . 1 1 65 65 ASP CA C 65 55.765 55.765 53.922 1.843 19510 5072 1 10 . 1 1 65 65 ASP CB C 65 39.579 39.579 42.179 -2.600 19510 5073 1 10 . 1 1 65 65 ASP H H 65 8.661 8.661 7.922 0.739 19510 5074 1 10 . 1 1 66 66 GLU N N 66 120.065 120.065 117.691 2.374 19510 5075 1 10 . 1 1 66 66 GLU HA H 66 4.437 4.437 3.767 0.670 19510 5076 1 10 . 1 1 66 66 GLU CA C 66 57.520 57.520 57.006 0.514 19510 5077 1 10 . 1 1 66 66 GLU CB C 66 27.598 27.598 28.962 -1.364 19510 5078 1 10 . 1 1 66 66 GLU H H 66 8.643 8.643 8.551 0.092 19510 5079 1 10 . 1 1 67 67 ASP N N 67 120.033 120.033 116.635 3.398 19510 5080 1 10 . 1 1 67 67 ASP HA H 67 4.609 4.609 4.533 0.076 19510 5081 1 10 . 1 1 67 67 ASP CA C 67 55.601 55.601 55.431 0.170 19510 5082 1 10 . 1 1 67 67 ASP CB C 67 39.106 39.106 40.348 -1.242 19510 5083 1 10 . 1 1 67 67 ASP H H 67 8.272 8.272 8.658 -0.386 19510 5084 1 10 . 1 1 68 68 VAL N N 68 123.206 123.206 117.886 5.320 19510 5085 1 10 . 1 1 68 68 VAL HA H 68 3.817 3.817 4.172 -0.355 19510 5086 1 10 . 1 1 68 68 VAL CA C 68 65.715 65.715 64.355 1.360 19510 5087 1 10 . 1 1 68 68 VAL CB C 68 30.705 30.705 33.212 -2.507 19510 5088 1 10 . 1 1 68 68 VAL H H 68 8.045 8.045 7.591 0.454 19510 5089 1 10 . 1 1 69 69 PHE N N 69 120.600 120.600 122.899 -2.299 19510 5090 1 10 . 1 1 69 69 PHE HA H 69 4.158 4.158 4.079 0.079 19510 5091 1 10 . 1 1 69 69 PHE CA C 69 61.013 61.013 61.812 -0.799 19510 5092 1 10 . 1 1 69 69 PHE CB C 69 37.455 37.455 39.033 -1.579 19510 5093 1 10 . 1 1 69 69 PHE H H 69 8.488 8.488 8.236 0.252 19510 5094 1 10 . 1 1 70 70 ARG N N 70 117.820 117.820 118.019 -0.199 19510 5095 1 10 . 1 1 70 70 ARG HA H 70 3.755 3.755 3.871 -0.116 19510 5096 1 10 . 1 1 70 70 ARG C C 70 178.813 178.813 177.327 1.486 19510 5097 1 10 . 1 1 70 70 ARG CA C 70 58.184 58.184 58.519 -0.335 19510 5098 1 10 . 1 1 70 70 ARG CB C 70 28.899 28.899 30.098 -1.199 19510 5099 1 10 . 1 1 70 70 ARG H H 70 8.611 8.611 8.262 0.349 19510 5100 1 10 . 1 1 71 71 LYS N N 71 121.726 121.726 117.726 4.000 19510 5101 1 10 . 1 1 71 71 LYS HA H 71 4.253 4.253 4.348 -0.095 19510 5102 1 10 . 1 1 71 71 LYS C C 71 177.020 177.020 178.010 -0.990 19510 5103 1 10 . 1 1 71 71 LYS CA C 71 58.490 58.490 57.138 1.352 19510 5104 1 10 . 1 1 71 71 LYS CB C 71 31.216 31.216 33.056 -1.840 19510 5105 1 10 . 1 1 71 71 LYS H H 71 7.686 7.686 7.593 0.093 19510 5106 1 10 . 1 1 72 72 LEU N N 72 119.355 119.355 120.742 -1.387 19510 5107 1 10 . 1 1 72 72 LEU HA H 72 4.051 4.051 4.171 -0.120 19510 5108 1 10 . 1 1 72 72 LEU C C 72 177.378 177.378 178.870 -1.492 19510 5109 1 10 . 1 1 72 72 LEU CA C 72 56.317 56.317 57.447 -1.130 19510 5110 1 10 . 1 1 72 72 LEU CB C 72 41.148 41.148 41.857 -0.709 19510 5111 1 10 . 1 1 72 72 LEU H H 72 8.215 8.215 8.482 -0.267 19510 5112 1 10 . 1 1 73 73 ALA N N 73 121.106 121.106 121.548 -0.442 19510 5113 1 10 . 1 1 73 73 ALA HA H 73 3.767 3.767 3.920 -0.153 19510 5114 1 10 . 1 1 73 73 ALA C C 73 179.644 179.644 177.885 1.759 19510 5115 1 10 . 1 1 73 73 ALA CA C 73 53.263 53.263 54.788 -1.525 19510 5116 1 10 . 1 1 73 73 ALA CB C 73 15.930 15.930 17.853 -1.923 19510 5117 1 10 . 1 1 73 73 ALA H H 73 9.143 9.143 7.783 1.360 19510 5118 1 10 . 1 1 74 74 ALA N N 74 119.383 119.383 118.967 0.416 19510 5119 1 10 . 1 1 74 74 ALA HA H 74 4.384 4.384 4.113 0.271 19510 5120 1 10 . 1 1 74 74 ALA C C 74 179.752 179.752 179.527 0.225 19510 5121 1 10 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.057 -0.533 19510 5122 1 10 . 1 1 74 74 ALA CB C 74 17.094 17.094 18.629 -1.535 19510 5123 1 10 . 1 1 74 74 ALA H H 74 7.403 7.403 8.086 -0.683 19510 5124 1 10 . 1 1 75 75 ASP N N 75 120.226 120.226 120.975 -0.749 19510 5125 1 10 . 1 1 75 75 ASP HA H 75 4.523 4.523 4.407 0.116 19510 5126 1 10 . 1 1 75 75 ASP C C 75 177.704 177.704 178.231 -0.527 19510 5127 1 10 . 1 1 75 75 ASP CA C 75 55.312 55.312 56.374 -1.062 19510 5128 1 10 . 1 1 75 75 ASP CB C 75 38.326 38.326 40.632 -2.306 19510 5129 1 10 . 1 1 75 75 ASP H H 75 8.536 8.536 7.821 0.715 19510 5130 1 10 . 1 1 76 76 LEU N N 76 115.468 115.468 121.088 -5.620 19510 5131 1 10 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.234 0.158 19510 5132 1 10 . 1 1 76 76 LEU C C 76 174.790 174.790 175.660 -0.870 19510 5133 1 10 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.719 -1.095 19510 5134 1 10 . 1 1 76 76 LEU CB C 76 39.594 39.594 40.190 -0.596 19510 5135 1 10 . 1 1 76 76 LEU H H 76 8.612 8.612 7.994 0.618 19510 5136 1 10 . 1 1 77 77 GLU N N 77 124.725 124.725 121.640 3.085 19510 5137 1 10 . 1 1 77 77 GLU HA H 77 4.343 4.343 4.029 0.314 19510 5138 1 10 . 1 1 77 77 GLU C C 77 176.953 176.953 177.286 -0.333 19510 5139 1 10 . 1 1 77 77 GLU CA C 77 57.345 57.345 57.671 -0.326 19510 5140 1 10 . 1 1 77 77 GLU CB C 77 27.555 27.555 29.180 -1.625 19510 5141 1 10 . 1 1 77 77 GLU H H 77 7.158 7.158 7.645 -0.487 19510 5142 1 10 . 1 1 78 78 GLY N N 78 118.105 118.105 114.155 3.950 19510 5143 1 10 . 1 1 78 78 GLY C C 78 173.075 173.075 174.839 -1.764 19510 5144 1 10 . 1 1 78 78 GLY CA C 78 44.269 44.269 45.427 -1.158 19510 5145 1 10 . 1 1 78 78 GLY H H 78 9.392 9.392 8.594 0.798 19510 5146 1 10 . 1 1 79 79 LYS N N 79 120.237 120.237 118.864 1.373 19510 5147 1 10 . 1 1 79 79 LYS HA H 79 4.663 4.663 4.514 0.149 19510 5148 1 10 . 1 1 79 79 LYS C C 79 175.050 175.050 175.124 -0.074 19510 5149 1 10 . 1 1 79 79 LYS CA C 79 54.683 54.683 55.837 -1.154 19510 5150 1 10 . 1 1 79 79 LYS CB C 79 33.435 33.435 34.312 -0.877 19510 5151 1 10 . 1 1 79 79 LYS H H 79 8.809 8.809 8.242 0.567 19510 5152 1 10 . 1 1 80 80 ALA N N 80 121.135 121.135 122.547 -1.412 19510 5153 1 10 . 1 1 80 80 ALA HA H 80 4.893 4.893 4.685 0.208 19510 5154 1 10 . 1 1 80 80 ALA C C 80 174.051 174.051 174.852 -0.801 19510 5155 1 10 . 1 1 80 80 ALA CA C 80 50.289 50.289 51.838 -1.549 19510 5156 1 10 . 1 1 80 80 ALA CB C 80 20.483 20.483 21.569 -1.086 19510 5157 1 10 . 1 1 80 80 ALA H H 80 8.169 8.169 7.679 0.490 19510 5158 1 10 . 1 1 81 81 ASP N N 81 121.569 121.569 118.501 3.068 19510 5159 1 10 . 1 1 81 81 ASP HA H 81 4.898 4.898 5.046 -0.148 19510 5160 1 10 . 1 1 81 81 ASP CA C 81 50.397 50.397 53.381 -2.984 19510 5161 1 10 . 1 1 81 81 ASP CB C 81 40.401 40.401 44.094 -3.693 19510 5162 1 10 . 1 1 81 81 ASP H H 81 8.330 8.330 8.448 -0.118 19510 5163 1 10 . 1 1 82 82 GLU N N 82 119.843 119.843 121.549 -1.706 19510 5164 1 10 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.181 0.004 19510 5165 1 10 . 1 1 82 82 GLU C C 82 177.350 177.350 178.551 -1.201 19510 5166 1 10 . 1 1 82 82 GLU CA C 82 59.676 59.676 61.122 -1.446 19510 5167 1 10 . 1 1 82 82 GLU CB C 82 27.893 27.893 29.642 -1.748 19510 5168 1 10 . 1 1 82 82 GLU H H 82 8.923 8.923 8.874 0.049 19510 5169 1 10 . 1 1 83 83 GLU N N 83 119.348 119.348 117.825 1.523 19510 5170 1 10 . 1 1 83 83 GLU HA H 83 4.177 4.177 4.074 0.103 19510 5171 1 10 . 1 1 83 83 GLU C C 83 178.794 178.794 178.931 -0.137 19510 5172 1 10 . 1 1 83 83 GLU CA C 83 59.082 59.082 59.542 -0.460 19510 5173 1 10 . 1 1 83 83 GLU CB C 83 28.879 28.879 28.810 0.069 19510 5174 1 10 . 1 1 83 83 GLU H H 83 8.832 8.832 8.762 0.070 19510 5175 1 10 . 1 1 84 84 THR N N 84 119.892 119.892 116.504 3.388 19510 5176 1 10 . 1 1 84 84 THR HA H 84 4.140 4.140 4.096 0.044 19510 5177 1 10 . 1 1 84 84 THR C C 84 176.165 176.165 177.003 -0.838 19510 5178 1 10 . 1 1 84 84 THR CA C 84 65.721 65.721 66.049 -0.328 19510 5179 1 10 . 1 1 84 84 THR CB C 84 66.751 66.751 68.489 -1.738 19510 5180 1 10 . 1 1 84 84 THR H H 84 8.576 8.576 8.124 0.452 19510 5181 1 10 . 1 1 85 85 ILE N N 85 123.655 123.655 121.511 2.144 19510 5182 1 10 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.842 -0.023 19510 5183 1 10 . 1 1 85 85 ILE C C 85 174.809 174.809 177.255 -2.446 19510 5184 1 10 . 1 1 85 85 ILE CA C 85 64.891 64.891 65.589 -0.698 19510 5185 1 10 . 1 1 85 85 ILE CB C 85 37.797 37.797 38.339 -0.542 19510 5186 1 10 . 1 1 85 85 ILE H H 85 8.572 8.572 8.571 0.001 19510 5187 1 10 . 1 1 86 86 ARG N N 86 119.670 119.670 119.585 0.085 19510 5188 1 10 . 1 1 86 86 ARG HA H 86 4.186 4.186 3.382 0.804 19510 5189 1 10 . 1 1 86 86 ARG CA C 86 58.766 58.766 58.123 0.643 19510 5190 1 10 . 1 1 86 86 ARG CB C 86 28.165 28.165 29.214 -1.049 19510 5191 1 10 . 1 1 86 86 ARG H H 86 9.092 9.092 8.347 0.745 19510 5192 1 10 . 1 1 87 87 ALA N N 87 121.431 121.431 120.411 1.020 19510 5193 1 10 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.309 -0.002 19510 5194 1 10 . 1 1 87 87 ALA CA C 87 53.558 53.558 53.348 0.210 19510 5195 1 10 . 1 1 87 87 ALA CB C 87 16.382 16.382 19.016 -2.634 19510 5196 1 10 . 1 1 87 87 ALA H H 87 8.242 8.242 8.352 -0.110 19510 5197 1 10 . 1 1 88 88 LYS N N 88 122.742 122.742 120.664 2.078 19510 5198 1 10 . 1 1 88 88 LYS HA H 88 4.011 4.011 3.926 0.085 19510 5199 1 10 . 1 1 88 88 LYS CA C 88 55.172 55.172 58.556 -3.384 19510 5200 1 10 . 1 1 88 88 LYS CB C 88 29.078 29.078 31.877 -2.799 19510 5201 1 10 . 1 1 88 88 LYS H H 88 8.182 8.182 7.513 0.669 19510 5202 1 10 . 1 1 89 89 MET N N 89 118.686 118.686 117.424 1.262 19510 5203 1 10 . 1 1 89 89 MET HA H 89 3.854 3.854 4.092 -0.238 19510 5204 1 10 . 1 1 89 89 MET CA C 89 59.175 59.175 58.693 0.482 19510 5205 1 10 . 1 1 89 89 MET CB C 89 31.697 31.697 31.676 0.021 19510 5206 1 10 . 1 1 89 89 MET H H 89 8.504 8.504 7.373 1.131 19510 5207 1 10 . 1 1 90 90 VAL N N 90 120.987 120.987 120.845 0.142 19510 5208 1 10 . 1 1 90 90 VAL HA H 90 3.853 3.853 3.645 0.208 19510 5209 1 10 . 1 1 90 90 VAL C C 90 178.017 178.017 177.928 0.089 19510 5210 1 10 . 1 1 90 90 VAL CA C 90 64.868 64.868 66.466 -1.598 19510 5211 1 10 . 1 1 90 90 VAL CB C 90 31.054 31.054 31.150 -0.096 19510 5212 1 10 . 1 1 90 90 VAL H H 90 7.573 7.573 7.769 -0.196 19510 5213 1 10 . 1 1 91 91 GLU N N 91 124.236 124.236 119.534 4.702 19510 5214 1 10 . 1 1 91 91 GLU HA H 91 3.802 3.802 4.102 -0.300 19510 5215 1 10 . 1 1 91 91 GLU C C 91 177.612 177.612 178.163 -0.551 19510 5216 1 10 . 1 1 91 91 GLU CA C 91 58.414 58.414 58.180 0.234 19510 5217 1 10 . 1 1 91 91 GLU CB C 91 30.606 30.606 29.605 1.001 19510 5218 1 10 . 1 1 91 91 GLU H H 91 8.494 8.494 7.645 0.849 19510 5219 1 10 . 1 1 92 92 LEU N N 92 114.818 114.818 119.549 -4.731 19510 5220 1 10 . 1 1 92 92 LEU HA H 92 4.336 4.336 4.224 0.112 19510 5221 1 10 . 1 1 92 92 LEU C C 92 177.928 177.928 178.172 -0.244 19510 5222 1 10 . 1 1 92 92 LEU CA C 92 56.351 56.351 55.227 1.124 19510 5223 1 10 . 1 1 92 92 LEU CB C 92 39.780 39.780 40.866 -1.086 19510 5224 1 10 . 1 1 92 92 LEU H H 92 8.833 8.833 7.335 1.498 19510 5225 1 10 . 1 1 93 93 ARG N N 93 123.398 123.398 121.499 1.899 19510 5226 1 10 . 1 1 93 93 ARG HA H 93 3.997 3.997 3.802 0.195 19510 5227 1 10 . 1 1 93 93 ARG C C 93 176.350 176.350 177.930 -1.580 19510 5228 1 10 . 1 1 93 93 ARG CA C 93 58.848 58.848 60.234 -1.386 19510 5229 1 10 . 1 1 93 93 ARG CB C 93 28.592 28.592 29.895 -1.303 19510 5230 1 10 . 1 1 93 93 ARG H H 93 7.746 7.746 7.574 0.172 19510 5231 1 10 . 1 1 94 94 ALA N N 94 122.480 122.480 119.843 2.637 19510 5232 1 10 . 1 1 94 94 ALA HA H 94 4.261 4.261 3.958 0.302 19510 5233 1 10 . 1 1 94 94 ALA C C 94 179.805 179.805 179.118 0.687 19510 5234 1 10 . 1 1 94 94 ALA CA C 94 54.529 54.529 55.512 -0.983 19510 5235 1 10 . 1 1 94 94 ALA CB C 94 16.423 16.423 18.123 -1.700 19510 5236 1 10 . 1 1 94 94 ALA H H 94 7.322 7.322 7.593 -0.271 19510 5237 1 10 . 1 1 95 95 THR N N 95 116.936 116.936 115.190 1.746 19510 5238 1 10 . 1 1 95 95 THR HA H 95 4.045 4.045 3.845 0.200 19510 5239 1 10 . 1 1 95 95 THR C C 95 175.007 175.007 176.478 -1.471 19510 5240 1 10 . 1 1 95 95 THR CA C 95 64.868 64.868 66.912 -2.044 19510 5241 1 10 . 1 1 95 95 THR CB C 95 67.633 67.633 68.315 -0.682 19510 5242 1 10 . 1 1 95 95 THR H H 95 8.275 8.275 8.097 0.178 19510 5243 1 10 . 1 1 96 96 ALA N N 96 123.969 123.969 124.093 -0.124 19510 5244 1 10 . 1 1 96 96 ALA HA H 96 3.904 3.904 4.166 -0.262 19510 5245 1 10 . 1 1 96 96 ALA C C 96 178.184 178.184 179.120 -0.936 19510 5246 1 10 . 1 1 96 96 ALA CA C 96 54.098 54.098 54.766 -0.668 19510 5247 1 10 . 1 1 96 96 ALA CB C 96 18.118 18.118 18.480 -0.362 19510 5248 1 10 . 1 1 96 96 ALA H H 96 8.688 8.688 8.255 0.433 19510 5249 1 10 . 1 1 97 97 ARG N N 97 117.393 117.393 117.486 -0.093 19510 5250 1 10 . 1 1 97 97 ARG HA H 97 3.857 3.857 4.071 -0.214 19510 5251 1 10 . 1 1 97 97 ARG C C 97 176.770 176.770 178.473 -1.703 19510 5252 1 10 . 1 1 97 97 ARG CA C 97 58.669 58.669 58.928 -0.259 19510 5253 1 10 . 1 1 97 97 ARG CB C 97 28.932 28.932 29.605 -0.673 19510 5254 1 10 . 1 1 97 97 ARG H H 97 8.073 8.073 8.033 0.040 19510 5255 1 10 . 1 1 98 98 GLU N N 98 118.029 118.029 120.237 -2.208 19510 5256 1 10 . 1 1 98 98 GLU HA H 98 4.180 4.180 3.981 0.199 19510 5257 1 10 . 1 1 98 98 GLU C C 98 178.865 178.865 179.086 -0.221 19510 5258 1 10 . 1 1 98 98 GLU CA C 98 57.867 57.867 59.435 -1.568 19510 5259 1 10 . 1 1 98 98 GLU CB C 98 27.704 27.704 29.273 -1.569 19510 5260 1 10 . 1 1 98 98 GLU H H 98 7.896 7.896 8.214 -0.318 19510 5261 1 10 . 1 1 99 99 GLN N N 99 119.735 119.735 116.177 3.558 19510 5262 1 10 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.118 0.067 19510 5263 1 10 . 1 1 99 99 GLN C C 99 178.146 178.146 178.231 -0.085 19510 5264 1 10 . 1 1 99 99 GLN CA C 99 57.748 57.748 57.378 0.370 19510 5265 1 10 . 1 1 99 99 GLN CB C 99 27.529 27.529 27.974 -0.445 19510 5266 1 10 . 1 1 99 99 GLN H H 99 8.320 8.320 7.896 0.424 19510 5267 1 10 . 1 1 100 100 ILE N N 100 119.676 119.676 118.839 0.837 19510 5268 1 10 . 1 1 100 100 ILE HA H 100 3.993 3.993 3.967 0.026 19510 5269 1 10 . 1 1 100 100 ILE C C 100 178.315 178.315 178.188 0.127 19510 5270 1 10 . 1 1 100 100 ILE CA C 100 60.935 60.935 62.132 -1.197 19510 5271 1 10 . 1 1 100 100 ILE CB C 100 34.935 34.935 37.519 -2.584 19510 5272 1 10 . 1 1 100 100 ILE H H 100 8.398 8.398 7.352 1.046 19510 5273 1 10 . 1 1 101 101 ILE N N 101 120.600 120.600 119.813 0.787 19510 5274 1 10 . 1 1 101 101 ILE HA H 101 4.027 4.027 3.741 0.286 19510 5275 1 10 . 1 1 101 101 ILE C C 101 177.006 177.006 178.329 -1.323 19510 5276 1 10 . 1 1 101 101 ILE CA C 101 62.382 62.382 64.042 -1.660 19510 5277 1 10 . 1 1 101 101 ILE CB C 101 36.195 36.195 37.301 -1.106 19510 5278 1 10 . 1 1 101 101 ILE H H 101 8.350 8.350 7.764 0.586 19510 5279 1 10 . 1 1 102 102 SER N N 102 116.172 116.172 115.116 1.056 19510 5280 1 10 . 1 1 102 102 SER HA H 102 4.589 4.589 4.333 0.256 19510 5281 1 10 . 1 1 102 102 SER C C 102 173.845 173.845 174.601 -0.756 19510 5282 1 10 . 1 1 102 102 SER CA C 102 58.735 58.735 60.799 -2.064 19510 5283 1 10 . 1 1 102 102 SER CB C 102 62.254 62.254 63.647 -1.393 19510 5284 1 10 . 1 1 102 102 SER H H 102 7.896 7.896 7.966 -0.070 19510 5285 1 10 . 1 1 103 103 GLU N N 103 122.642 122.642 120.624 2.018 19510 5286 1 10 . 1 1 103 103 GLU HA H 103 4.473 4.473 4.516 -0.043 19510 5287 1 10 . 1 1 103 103 GLU C C 103 175.095 175.095 175.301 -0.206 19510 5288 1 10 . 1 1 103 103 GLU CA C 103 55.006 55.006 55.417 -0.411 19510 5289 1 10 . 1 1 103 103 GLU CB C 103 28.770 28.770 30.946 -2.176 19510 5290 1 10 . 1 1 103 103 GLU H H 103 7.780 7.780 7.938 -0.158 19510 5291 1 11 . 1 1 4 4 PHE N N 4 122.548 122.548 123.162 -0.614 19510 5292 1 11 . 1 1 4 4 PHE HA H 4 4.680 4.680 4.700 -0.020 19510 5293 1 11 . 1 1 4 4 PHE CA C 4 57.087 57.087 57.587 -0.500 19510 5294 1 11 . 1 1 4 4 PHE CB C 4 38.126 38.126 40.307 -2.181 19510 5295 1 11 . 1 1 4 4 PHE H H 4 8.328 8.328 8.362 -0.034 19510 5296 1 11 . 1 1 7 7 ARG N N 7 121.962 121.962 124.462 -2.500 19510 5297 1 11 . 1 1 7 7 ARG HA H 7 4.265 4.265 4.576 -0.311 19510 5298 1 11 . 1 1 7 7 ARG C C 7 176.683 176.683 176.197 0.486 19510 5299 1 11 . 1 1 7 7 ARG CA C 7 56.502 56.502 55.656 0.846 19510 5300 1 11 . 1 1 7 7 ARG CB C 7 28.840 28.840 31.455 -2.615 19510 5301 1 11 . 1 1 7 7 ARG H H 7 8.339 8.339 8.033 0.306 19510 5302 1 11 . 1 1 8 8 GLU N N 8 121.095 121.095 125.393 -4.298 19510 5303 1 11 . 1 1 8 8 GLU HA H 8 4.233 4.233 4.380 -0.147 19510 5304 1 11 . 1 1 8 8 GLU C C 8 176.964 176.964 176.272 0.692 19510 5305 1 11 . 1 1 8 8 GLU CA C 8 57.517 57.517 56.149 1.368 19510 5306 1 11 . 1 1 8 8 GLU CB C 8 27.744 27.744 30.229 -2.485 19510 5307 1 11 . 1 1 8 8 GLU H H 8 8.384 8.384 8.585 -0.201 19510 5308 1 11 . 1 1 9 9 ARG N N 9 121.320 121.320 120.354 0.966 19510 5309 1 11 . 1 1 9 9 ARG HA H 9 4.310 4.310 4.248 0.062 19510 5310 1 11 . 1 1 9 9 ARG C C 9 176.563 176.563 176.327 0.236 19510 5311 1 11 . 1 1 9 9 ARG CA C 9 56.233 56.233 57.243 -1.010 19510 5312 1 11 . 1 1 9 9 ARG CB C 9 28.977 28.977 30.067 -1.090 19510 5313 1 11 . 1 1 9 9 ARG H H 9 8.291 8.291 8.601 -0.310 19510 5314 1 11 . 1 1 10 10 ALA N N 10 123.900 123.900 120.450 3.450 19510 5315 1 11 . 1 1 10 10 ALA HA H 10 4.333 4.333 4.172 0.161 19510 5316 1 11 . 1 1 10 10 ALA C C 10 178.129 178.129 176.868 1.261 19510 5317 1 11 . 1 1 10 10 ALA CA C 10 52.348 52.348 52.522 -0.174 19510 5318 1 11 . 1 1 10 10 ALA CB C 10 17.396 17.396 17.602 -0.206 19510 5319 1 11 . 1 1 10 10 ALA H H 10 8.225 8.225 8.402 -0.177 19510 5320 1 11 . 1 1 11 11 HIS N N 11 117.829 117.829 115.246 2.583 19510 5321 1 11 . 1 1 11 11 HIS HA H 11 4.740 4.740 4.427 0.313 19510 5322 1 11 . 1 1 11 11 HIS C C 11 175.013 175.013 175.031 -0.018 19510 5323 1 11 . 1 1 11 11 HIS CA C 11 55.041 55.041 56.364 -1.323 19510 5324 1 11 . 1 1 11 11 HIS CB C 11 27.391 27.391 30.102 -2.711 19510 5325 1 11 . 1 1 11 11 HIS H H 11 8.500 8.500 8.722 -0.222 19510 5326 1 11 . 1 1 12 12 GLU N N 12 121.398 121.398 120.013 1.385 19510 5327 1 11 . 1 1 12 12 GLU HA H 12 4.326 4.326 3.889 0.437 19510 5328 1 11 . 1 1 12 12 GLU C C 12 176.808 176.808 176.697 0.111 19510 5329 1 11 . 1 1 12 12 GLU CA C 12 56.517 56.517 56.795 -0.278 19510 5330 1 11 . 1 1 12 12 GLU CB C 12 28.289 28.289 29.610 -1.321 19510 5331 1 11 . 1 1 12 12 GLU H H 12 8.456 8.456 8.317 0.139 19510 5332 1 11 . 1 1 13 13 ALA N N 13 124.231 124.231 127.420 -3.189 19510 5333 1 11 . 1 1 13 13 ALA HA H 13 4.309 4.309 3.936 0.373 19510 5334 1 11 . 1 1 13 13 ALA C C 13 178.197 178.197 178.355 -0.158 19510 5335 1 11 . 1 1 13 13 ALA CA C 13 53.511 53.511 53.929 -0.418 19510 5336 1 11 . 1 1 13 13 ALA CB C 13 17.174 17.174 18.154 -0.980 19510 5337 1 11 . 1 1 13 13 ALA H H 13 8.444 8.444 8.801 -0.357 19510 5338 1 11 . 1 1 14 14 LYS N N 14 120.159 120.159 118.203 1.956 19510 5339 1 11 . 1 1 14 14 LYS HA H 14 4.257 4.257 4.225 0.032 19510 5340 1 11 . 1 1 14 14 LYS C C 14 176.757 176.757 178.206 -1.449 19510 5341 1 11 . 1 1 14 14 LYS CA C 14 56.461 56.461 58.297 -1.836 19510 5342 1 11 . 1 1 14 14 LYS CB C 14 31.191 31.191 32.693 -1.502 19510 5343 1 11 . 1 1 14 14 LYS H H 14 8.136 8.136 7.521 0.615 19510 5344 1 11 . 1 1 15 15 PHE N N 15 118.588 118.588 118.436 0.152 19510 5345 1 11 . 1 1 15 15 PHE HA H 15 4.527 4.527 4.274 0.253 19510 5346 1 11 . 1 1 15 15 PHE C C 15 175.635 175.635 175.132 0.503 19510 5347 1 11 . 1 1 15 15 PHE CA C 15 57.992 57.992 60.492 -2.499 19510 5348 1 11 . 1 1 15 15 PHE CB C 15 37.908 37.908 39.407 -1.499 19510 5349 1 11 . 1 1 15 15 PHE H H 15 7.998 7.998 7.791 0.207 19510 5350 1 11 . 1 1 16 16 ALA N N 16 122.847 122.847 118.042 4.805 19510 5351 1 11 . 1 1 16 16 ALA HA H 16 4.317 4.317 4.463 -0.146 19510 5352 1 11 . 1 1 16 16 ALA C C 16 177.641 177.641 176.395 1.246 19510 5353 1 11 . 1 1 16 16 ALA CA C 16 52.317 52.317 51.966 0.351 19510 5354 1 11 . 1 1 16 16 ALA CB C 16 17.378 17.378 18.873 -1.495 19510 5355 1 11 . 1 1 16 16 ALA H H 16 8.172 8.172 7.691 0.481 19510 5356 1 11 . 1 1 17 17 HIS N N 17 115.904 115.904 118.122 -2.218 19510 5357 1 11 . 1 1 17 17 HIS HA H 17 4.839 4.839 4.756 0.083 19510 5358 1 11 . 1 1 17 17 HIS CA C 17 54.594 54.594 56.857 -2.263 19510 5359 1 11 . 1 1 17 17 HIS CB C 17 27.532 27.532 32.662 -5.130 19510 5360 1 11 . 1 1 17 17 HIS H H 17 8.218 8.218 8.302 -0.084 19510 5361 1 11 . 1 1 18 18 ASP N N 18 121.432 121.432 122.779 -1.347 19510 5362 1 11 . 1 1 18 18 ASP HA H 18 4.758 4.758 4.746 0.012 19510 5363 1 11 . 1 1 18 18 ASP CA C 18 53.004 53.004 54.827 -1.823 19510 5364 1 11 . 1 1 18 18 ASP CB C 18 39.571 39.571 41.443 -1.872 19510 5365 1 11 . 1 1 18 18 ASP H H 18 8.103 8.103 8.148 -0.045 19510 5366 1 11 . 1 1 19 19 ALA N N 19 126.628 126.628 129.619 -2.991 19510 5367 1 11 . 1 1 19 19 ALA HA H 19 4.303 4.303 4.012 0.291 19510 5368 1 11 . 1 1 19 19 ALA CA C 19 53.177 53.177 54.959 -1.782 19510 5369 1 11 . 1 1 19 19 ALA CB C 19 17.231 17.231 18.586 -1.355 19510 5370 1 11 . 1 1 19 19 ALA H H 19 8.588 8.588 8.809 -0.221 19510 5371 1 11 . 1 1 20 20 GLU N N 20 119.826 119.826 119.223 0.603 19510 5372 1 11 . 1 1 20 20 GLU HA H 20 4.314 4.314 4.109 0.205 19510 5373 1 11 . 1 1 20 20 GLU CA C 20 57.403 57.403 59.459 -2.056 19510 5374 1 11 . 1 1 20 20 GLU CB C 20 27.780 27.780 29.076 -1.296 19510 5375 1 11 . 1 1 20 20 GLU H H 20 8.391 8.391 8.779 -0.388 19510 5376 1 11 . 1 1 21 21 LEU N N 21 122.268 122.268 119.562 2.706 19510 5377 1 11 . 1 1 21 21 LEU HA H 21 4.179 4.179 4.199 -0.020 19510 5378 1 11 . 1 1 21 21 LEU CA C 21 56.531 56.531 57.153 -0.622 19510 5379 1 11 . 1 1 21 21 LEU CB C 21 40.255 40.255 41.649 -1.394 19510 5380 1 11 . 1 1 21 21 LEU H H 21 8.134 8.134 7.851 0.283 19510 5381 1 11 . 1 1 22 22 ASN N N 22 118.005 118.005 118.539 -0.534 19510 5382 1 11 . 1 1 22 22 ASN HA H 22 4.665 4.665 3.799 0.866 19510 5383 1 11 . 1 1 22 22 ASN CA C 22 55.493 55.493 55.819 -0.326 19510 5384 1 11 . 1 1 22 22 ASN CB C 22 37.084 37.084 38.164 -1.080 19510 5385 1 11 . 1 1 22 22 ASN H H 22 8.456 8.456 7.597 0.859 19510 5386 1 11 . 1 1 23 23 PHE N N 23 121.379 121.379 121.288 0.091 19510 5387 1 11 . 1 1 23 23 PHE HA H 23 4.509 4.509 4.082 0.427 19510 5388 1 11 . 1 1 23 23 PHE CA C 23 59.496 59.496 61.715 -2.219 19510 5389 1 11 . 1 1 23 23 PHE CB C 23 37.380 37.380 39.210 -1.830 19510 5390 1 11 . 1 1 23 23 PHE H H 23 8.453 8.453 8.378 0.075 19510 5391 1 11 . 1 1 24 24 LYS N N 24 120.674 120.674 118.470 2.204 19510 5392 1 11 . 1 1 24 24 LYS HA H 24 4.191 4.191 3.997 0.194 19510 5393 1 11 . 1 1 24 24 LYS C C 24 179.309 179.309 178.654 0.655 19510 5394 1 11 . 1 1 24 24 LYS CA C 24 58.132 58.132 59.837 -1.705 19510 5395 1 11 . 1 1 24 24 LYS CB C 24 31.828 31.828 32.417 -0.589 19510 5396 1 11 . 1 1 24 24 LYS H H 24 8.504 8.504 8.613 -0.109 19510 5397 1 11 . 1 1 25 25 ALA N N 25 123.584 123.584 121.357 2.227 19510 5398 1 11 . 1 1 25 25 ALA HA H 25 4.146 4.146 4.361 -0.215 19510 5399 1 11 . 1 1 25 25 ALA C C 25 178.243 178.243 180.042 -1.799 19510 5400 1 11 . 1 1 25 25 ALA CA C 25 53.760 53.760 54.170 -0.410 19510 5401 1 11 . 1 1 25 25 ALA CB C 25 16.827 16.827 18.948 -2.121 19510 5402 1 11 . 1 1 25 25 ALA H H 25 8.841 8.841 7.499 1.342 19510 5403 1 11 . 1 1 26 26 GLU N N 26 122.239 122.239 121.026 1.213 19510 5404 1 11 . 1 1 26 26 GLU HA H 26 4.083 4.083 3.919 0.164 19510 5405 1 11 . 1 1 26 26 GLU C C 26 177.265 177.265 177.109 0.156 19510 5406 1 11 . 1 1 26 26 GLU CA C 26 57.850 57.850 59.035 -1.185 19510 5407 1 11 . 1 1 26 26 GLU CB C 26 28.891 28.891 29.699 -0.808 19510 5408 1 11 . 1 1 26 26 GLU H H 26 8.482 8.482 8.597 -0.115 19510 5409 1 11 . 1 1 27 27 ALA N N 27 122.124 122.124 118.646 3.478 19510 5410 1 11 . 1 1 27 27 ALA HA H 27 4.352 4.352 4.343 0.009 19510 5411 1 11 . 1 1 27 27 ALA C C 27 180.552 180.552 177.722 2.830 19510 5412 1 11 . 1 1 27 27 ALA CA C 27 53.519 53.519 51.128 2.391 19510 5413 1 11 . 1 1 27 27 ALA CB C 27 16.410 16.410 17.766 -1.356 19510 5414 1 11 . 1 1 27 27 ALA H H 27 8.043 8.043 7.944 0.099 19510 5415 1 11 . 1 1 28 28 ARG N N 28 120.375 120.375 118.830 1.545 19510 5416 1 11 . 1 1 28 28 ARG HA H 28 4.441 4.441 4.009 0.432 19510 5417 1 11 . 1 1 28 28 ARG C C 28 176.309 176.309 177.152 -0.843 19510 5418 1 11 . 1 1 28 28 ARG CA C 28 55.369 55.369 58.417 -3.048 19510 5419 1 11 . 1 1 28 28 ARG CB C 28 28.480 28.480 30.249 -1.769 19510 5420 1 11 . 1 1 28 28 ARG H H 28 8.101 8.101 7.598 0.503 19510 5421 1 11 . 1 1 29 29 ARG N N 29 122.734 122.734 114.405 8.329 19510 5422 1 11 . 1 1 29 29 ARG HA H 29 3.743 3.743 4.102 -0.359 19510 5423 1 11 . 1 1 29 29 ARG CA C 29 58.672 58.672 57.747 0.925 19510 5424 1 11 . 1 1 29 29 ARG CB C 29 29.051 29.051 28.671 0.380 19510 5425 1 11 . 1 1 29 29 ARG H H 29 8.901 8.901 8.448 0.453 19510 5426 1 11 . 1 1 30 30 ASN N N 30 119.961 119.961 115.895 4.066 19510 5427 1 11 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.804 -0.170 19510 5428 1 11 . 1 1 30 30 ASN C C 30 175.888 175.888 176.527 -0.639 19510 5429 1 11 . 1 1 30 30 ASN CA C 30 55.147 55.147 54.936 0.211 19510 5430 1 11 . 1 1 30 30 ASN CB C 30 35.418 35.418 40.235 -4.817 19510 5431 1 11 . 1 1 30 30 ASN H H 30 8.429 8.429 8.071 0.358 19510 5432 1 11 . 1 1 31 31 ARG N N 31 123.400 123.400 122.415 0.985 19510 5433 1 11 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.274 0.008 19510 5434 1 11 . 1 1 31 31 ARG C C 31 177.804 177.804 178.199 -0.395 19510 5435 1 11 . 1 1 31 31 ARG CA C 31 58.132 58.132 58.266 -0.134 19510 5436 1 11 . 1 1 31 31 ARG CB C 31 27.636 27.636 28.665 -1.028 19510 5437 1 11 . 1 1 31 31 ARG H H 31 8.052 8.052 8.490 -0.438 19510 5438 1 11 . 1 1 32 32 LEU N N 32 119.872 119.872 118.469 1.403 19510 5439 1 11 . 1 1 32 32 LEU HA H 32 4.318 4.318 4.309 0.009 19510 5440 1 11 . 1 1 32 32 LEU C C 32 180.602 180.602 178.324 2.278 19510 5441 1 11 . 1 1 32 32 LEU CA C 32 56.471 56.471 57.223 -0.752 19510 5442 1 11 . 1 1 32 32 LEU CB C 32 40.558 40.558 41.342 -0.784 19510 5443 1 11 . 1 1 32 32 LEU H H 32 8.752 8.752 7.407 1.345 19510 5444 1 11 . 1 1 33 33 LEU N N 33 124.468 124.468 119.447 5.021 19510 5445 1 11 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.446 -0.145 19510 5446 1 11 . 1 1 33 33 LEU C C 33 177.992 177.992 178.767 -0.775 19510 5447 1 11 . 1 1 33 33 LEU CA C 33 56.482 56.482 57.090 -0.608 19510 5448 1 11 . 1 1 33 33 LEU CB C 33 41.626 41.626 41.798 -0.172 19510 5449 1 11 . 1 1 33 33 LEU H H 33 9.273 9.273 8.542 0.731 19510 5450 1 11 . 1 1 34 34 GLY N N 34 109.045 109.045 107.619 1.426 19510 5451 1 11 . 1 1 34 34 GLY C C 34 174.530 174.530 176.028 -1.498 19510 5452 1 11 . 1 1 34 34 GLY CA C 34 45.447 45.447 47.344 -1.897 19510 5453 1 11 . 1 1 34 34 GLY H H 34 8.907 8.907 7.912 0.995 19510 5454 1 11 . 1 1 35 35 GLU N N 35 123.414 123.414 119.919 3.495 19510 5455 1 11 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.281 -0.104 19510 5456 1 11 . 1 1 35 35 GLU C C 35 178.866 178.866 177.550 1.316 19510 5457 1 11 . 1 1 35 35 GLU CA C 35 59.564 59.564 58.081 1.482 19510 5458 1 11 . 1 1 35 35 GLU CB C 35 27.692 27.692 29.103 -1.411 19510 5459 1 11 . 1 1 35 35 GLU H H 35 8.935 8.935 7.935 1.000 19510 5460 1 11 . 1 1 36 36 TRP N N 36 124.774 124.774 121.132 3.642 19510 5461 1 11 . 1 1 36 36 TRP HA H 36 4.604 4.604 4.570 0.034 19510 5462 1 11 . 1 1 36 36 TRP C C 36 177.618 177.618 176.982 0.636 19510 5463 1 11 . 1 1 36 36 TRP CA C 36 58.867 58.867 59.322 -0.454 19510 5464 1 11 . 1 1 36 36 TRP CB C 36 26.021 26.021 29.956 -3.936 19510 5465 1 11 . 1 1 36 36 TRP H H 36 8.531 8.531 7.373 1.158 19510 5466 1 11 . 1 1 37 37 ALA N N 37 123.777 123.777 121.196 2.581 19510 5467 1 11 . 1 1 37 37 ALA HA H 37 3.403 3.403 3.252 0.151 19510 5468 1 11 . 1 1 37 37 ALA C C 37 177.427 177.427 179.393 -1.966 19510 5469 1 11 . 1 1 37 37 ALA CA C 37 53.148 53.148 54.153 -1.005 19510 5470 1 11 . 1 1 37 37 ALA CB C 37 18.440 18.440 17.776 0.664 19510 5471 1 11 . 1 1 37 37 ALA H H 37 9.141 9.141 7.849 1.292 19510 5472 1 11 . 1 1 38 38 ALA N N 38 119.259 119.259 121.572 -2.313 19510 5473 1 11 . 1 1 38 38 ALA HA H 38 3.523 3.523 3.481 0.042 19510 5474 1 11 . 1 1 38 38 ALA C C 38 178.670 178.670 179.413 -0.743 19510 5475 1 11 . 1 1 38 38 ALA CA C 38 53.882 53.882 55.168 -1.286 19510 5476 1 11 . 1 1 38 38 ALA CB C 38 17.083 17.083 18.083 -1.000 19510 5477 1 11 . 1 1 38 38 ALA H H 38 8.788 8.788 8.495 0.293 19510 5478 1 11 . 1 1 39 39 GLY N N 39 104.011 104.011 107.352 -3.341 19510 5479 1 11 . 1 1 39 39 GLY C C 39 177.232 177.232 176.707 0.525 19510 5480 1 11 . 1 1 39 39 GLY CA C 39 45.519 45.519 47.016 -1.497 19510 5481 1 11 . 1 1 39 39 GLY H H 39 7.756 7.756 7.782 -0.026 19510 5482 1 11 . 1 1 40 40 LEU N N 40 125.340 125.340 122.864 2.476 19510 5483 1 11 . 1 1 40 40 LEU HA H 40 4.111 4.111 3.922 0.189 19510 5484 1 11 . 1 1 40 40 LEU C C 40 178.203 178.203 178.585 -0.382 19510 5485 1 11 . 1 1 40 40 LEU CA C 40 56.123 56.123 57.475 -1.352 19510 5486 1 11 . 1 1 40 40 LEU CB C 40 40.764 40.764 41.678 -0.914 19510 5487 1 11 . 1 1 40 40 LEU H H 40 7.511 7.511 7.349 0.162 19510 5488 1 11 . 1 1 41 41 LEU N N 41 117.234 117.234 115.690 1.544 19510 5489 1 11 . 1 1 41 41 LEU HA H 41 4.139 4.139 4.172 -0.033 19510 5490 1 11 . 1 1 41 41 LEU C C 41 176.119 176.119 177.215 -1.096 19510 5491 1 11 . 1 1 41 41 LEU CA C 41 53.213 53.213 54.899 -1.686 19510 5492 1 11 . 1 1 41 41 LEU CB C 41 41.092 41.092 41.900 -0.808 19510 5493 1 11 . 1 1 41 41 LEU H H 41 7.692 7.692 7.616 0.076 19510 5494 1 11 . 1 1 42 42 GLY N N 42 109.595 109.595 107.521 2.074 19510 5495 1 11 . 1 1 42 42 GLY C C 42 173.775 173.775 173.575 0.200 19510 5496 1 11 . 1 1 42 42 GLY CA C 42 44.409 44.409 44.928 -0.519 19510 5497 1 11 . 1 1 42 42 GLY H H 42 7.896 7.896 7.737 0.159 19510 5498 1 11 . 1 1 43 43 LYS N N 43 119.965 119.965 120.589 -0.624 19510 5499 1 11 . 1 1 43 43 LYS HA H 43 4.737 4.737 4.672 0.065 19510 5500 1 11 . 1 1 43 43 LYS C C 43 175.246 175.246 174.938 0.308 19510 5501 1 11 . 1 1 43 43 LYS CA C 43 54.189 54.189 55.183 -0.994 19510 5502 1 11 . 1 1 43 43 LYS CB C 43 33.208 33.208 34.935 -1.727 19510 5503 1 11 . 1 1 43 43 LYS H H 43 8.104 8.104 7.886 0.218 19510 5504 1 11 . 1 1 44 44 THR N N 44 114.199 114.199 113.679 0.520 19510 5505 1 11 . 1 1 44 44 THR HA H 44 4.773 4.773 4.558 0.215 19510 5506 1 11 . 1 1 44 44 THR C C 44 174.392 174.392 175.091 -0.699 19510 5507 1 11 . 1 1 44 44 THR CA C 44 58.348 58.348 60.021 -1.673 19510 5508 1 11 . 1 1 44 44 THR CB C 44 70.921 70.921 71.320 -0.399 19510 5509 1 11 . 1 1 44 44 THR H H 44 8.958 8.958 8.115 0.843 19510 5510 1 11 . 1 1 45 45 GLY N N 45 109.657 109.657 109.357 0.300 19510 5511 1 11 . 1 1 45 45 GLY C C 45 175.330 175.330 175.436 -0.106 19510 5512 1 11 . 1 1 45 45 GLY CA C 45 45.315 45.315 46.568 -1.252 19510 5513 1 11 . 1 1 45 45 GLY H H 45 8.885 8.885 8.490 0.395 19510 5514 1 11 . 1 1 46 46 ASP N N 46 128.403 128.403 123.489 4.914 19510 5515 1 11 . 1 1 46 46 ASP HA H 46 4.561 4.561 4.449 0.112 19510 5516 1 11 . 1 1 46 46 ASP C C 46 177.343 177.343 177.613 -0.270 19510 5517 1 11 . 1 1 46 46 ASP CA C 46 55.829 55.829 56.363 -0.534 19510 5518 1 11 . 1 1 46 46 ASP CB C 46 39.039 39.039 40.797 -1.758 19510 5519 1 11 . 1 1 46 46 ASP H H 46 9.318 9.318 8.548 0.770 19510 5520 1 11 . 1 1 47 47 ASP N N 47 121.367 121.367 119.349 2.018 19510 5521 1 11 . 1 1 47 47 ASP HA H 47 4.668 4.668 4.461 0.207 19510 5522 1 11 . 1 1 47 47 ASP CA C 47 55.545 55.545 56.971 -1.426 19510 5523 1 11 . 1 1 47 47 ASP CB C 47 39.415 39.415 40.805 -1.390 19510 5524 1 11 . 1 1 47 47 ASP H H 47 8.521 8.521 7.891 0.630 19510 5525 1 11 . 1 1 48 48 ALA N N 48 123.210 123.210 122.271 0.939 19510 5526 1 11 . 1 1 48 48 ALA HA H 48 3.940 3.940 4.009 -0.069 19510 5527 1 11 . 1 1 48 48 ALA CA C 48 53.331 53.331 55.016 -1.685 19510 5528 1 11 . 1 1 48 48 ALA CB C 48 16.036 16.036 18.616 -2.580 19510 5529 1 11 . 1 1 48 48 ALA H H 48 7.262 7.262 7.357 -0.095 19510 5530 1 11 . 1 1 49 49 ARG N N 49 120.088 120.088 119.604 0.484 19510 5531 1 11 . 1 1 49 49 ARG HA H 49 4.126 4.126 3.982 0.144 19510 5532 1 11 . 1 1 49 49 ARG CA C 49 57.876 57.876 59.449 -1.573 19510 5533 1 11 . 1 1 49 49 ARG CB C 49 28.774 28.774 30.316 -1.542 19510 5534 1 11 . 1 1 49 49 ARG H H 49 7.805 7.805 8.284 -0.479 19510 5535 1 11 . 1 1 50 50 ALA N N 50 121.061 121.061 120.527 0.534 19510 5536 1 11 . 1 1 50 50 ALA HA H 50 4.218 4.218 4.095 0.123 19510 5537 1 11 . 1 1 50 50 ALA CA C 50 53.399 53.399 54.912 -1.513 19510 5538 1 11 . 1 1 50 50 ALA CB C 50 16.672 16.672 18.422 -1.750 19510 5539 1 11 . 1 1 50 50 ALA H H 50 8.387 8.387 7.689 0.698 19510 5540 1 11 . 1 1 51 51 TYR N N 51 119.264 119.264 121.354 -2.090 19510 5541 1 11 . 1 1 51 51 TYR HA H 51 4.231 4.231 4.065 0.166 19510 5542 1 11 . 1 1 51 51 TYR C C 51 178.335 178.335 177.743 0.592 19510 5543 1 11 . 1 1 51 51 TYR CA C 51 60.493 60.493 61.077 -0.584 19510 5544 1 11 . 1 1 51 51 TYR CB C 51 37.094 37.094 38.363 -1.269 19510 5545 1 11 . 1 1 51 51 TYR H H 51 8.095 8.095 7.982 0.113 19510 5546 1 11 . 1 1 52 52 ALA N N 52 124.002 124.002 119.766 4.236 19510 5547 1 11 . 1 1 52 52 ALA HA H 52 3.899 3.899 4.125 -0.226 19510 5548 1 11 . 1 1 52 52 ALA C C 52 178.352 178.352 178.674 -0.322 19510 5549 1 11 . 1 1 52 52 ALA CA C 52 54.394 54.394 54.090 0.304 19510 5550 1 11 . 1 1 52 52 ALA CB C 52 16.369 16.369 18.378 -2.010 19510 5551 1 11 . 1 1 52 52 ALA H H 52 8.651 8.651 8.411 0.240 19510 5552 1 11 . 1 1 53 53 LEU N N 53 116.593 116.593 117.048 -0.455 19510 5553 1 11 . 1 1 53 53 LEU HA H 53 4.301 4.301 4.384 -0.083 19510 5554 1 11 . 1 1 53 53 LEU C C 53 177.452 177.452 177.984 -0.532 19510 5555 1 11 . 1 1 53 53 LEU CA C 53 55.412 55.412 55.896 -0.484 19510 5556 1 11 . 1 1 53 53 LEU CB C 53 40.510 40.510 42.539 -2.029 19510 5557 1 11 . 1 1 53 53 LEU H H 53 7.664 7.664 7.658 0.006 19510 5558 1 11 . 1 1 54 54 THR N N 54 110.998 110.998 115.767 -4.769 19510 5559 1 11 . 1 1 54 54 THR HA H 54 4.401 4.401 4.478 -0.077 19510 5560 1 11 . 1 1 54 54 THR CA C 54 61.997 61.997 61.451 0.546 19510 5561 1 11 . 1 1 54 54 THR CB C 54 67.988 67.988 68.852 -0.864 19510 5562 1 11 . 1 1 54 54 THR H H 54 7.962 7.962 7.566 0.396 19510 5563 1 11 . 1 1 55 55 VAL N N 55 123.907 123.907 122.688 1.219 19510 5564 1 11 . 1 1 55 55 VAL HA H 55 3.869 3.869 4.232 -0.363 19510 5565 1 11 . 1 1 55 55 VAL CA C 55 62.373 62.373 61.240 1.133 19510 5566 1 11 . 1 1 55 55 VAL CB C 55 29.037 29.037 32.734 -3.697 19510 5567 1 11 . 1 1 55 55 VAL H H 55 7.217 7.217 7.408 -0.191 19510 5568 1 11 . 1 1 56 56 VAL N N 56 119.176 119.176 120.704 -1.528 19510 5569 1 11 . 1 1 56 56 VAL HA H 56 4.300 4.300 4.486 -0.186 19510 5570 1 11 . 1 1 56 56 VAL CA C 56 55.363 55.363 60.173 -4.810 19510 5571 1 11 . 1 1 56 56 VAL CB C 56 32.466 32.466 35.475 -3.009 19510 5572 1 11 . 1 1 56 56 VAL H H 56 7.474 7.474 7.558 -0.084 19510 5573 1 11 . 1 1 57 57 THR N N 57 114.951 114.951 115.360 -0.409 19510 5574 1 11 . 1 1 57 57 THR HA H 57 4.509 4.509 3.922 0.587 19510 5575 1 11 . 1 1 57 57 THR CA C 57 60.698 60.698 63.981 -3.283 19510 5576 1 11 . 1 1 57 57 THR CB C 57 68.177 68.177 68.627 -0.450 19510 5577 1 11 . 1 1 57 57 THR H H 57 7.992 7.992 8.837 -0.845 19510 5578 1 11 . 1 1 58 58 SER N N 58 119.820 119.820 116.088 3.732 19510 5579 1 11 . 1 1 58 58 SER HA H 58 4.554 4.554 4.279 0.275 19510 5580 1 11 . 1 1 58 58 SER CA C 58 57.409 57.409 59.859 -2.450 19510 5581 1 11 . 1 1 58 58 SER CB C 58 62.399 62.399 63.240 -0.841 19510 5582 1 11 . 1 1 58 58 SER H H 58 8.473 8.473 7.922 0.551 19510 5583 1 11 . 1 1 59 59 ASP N N 59 122.199 122.199 123.780 -1.581 19510 5584 1 11 . 1 1 59 59 ASP HA H 59 4.762 4.762 4.811 -0.049 19510 5585 1 11 . 1 1 59 59 ASP C C 59 175.459 175.459 174.114 1.345 19510 5586 1 11 . 1 1 59 59 ASP CA C 59 52.469 52.469 55.041 -2.572 19510 5587 1 11 . 1 1 59 59 ASP CB C 59 39.455 39.455 42.551 -3.096 19510 5588 1 11 . 1 1 59 59 ASP H H 59 8.285 8.285 8.716 -0.431 19510 5589 1 11 . 1 1 60 60 PHE HA H 60 4.182 4.182 5.065 -0.883 19510 5590 1 11 . 1 1 60 60 PHE CA C 60 59.253 59.253 57.286 1.967 19510 5591 1 11 . 1 1 60 60 PHE CB C 60 35.163 35.163 39.913 -4.750 19510 5592 1 11 . 1 1 63 63 PRO HA H 63 4.606 4.606 4.460 0.146 19510 5593 1 11 . 1 1 63 63 PRO CA C 63 55.716 55.716 63.397 -7.681 19510 5594 1 11 . 1 1 63 63 PRO CB C 63 30.732 30.732 30.512 0.220 19510 5595 1 11 . 1 1 64 64 GLY N N 64 110.382 110.382 110.463 -0.081 19510 5596 1 11 . 1 1 64 64 GLY CA C 64 44.280 44.280 46.136 -1.856 19510 5597 1 11 . 1 1 64 64 GLY H H 64 8.706 8.706 8.393 0.313 19510 5598 1 11 . 1 1 65 65 ASP N N 65 121.977 121.977 125.138 -3.161 19510 5599 1 11 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.848 -0.185 19510 5600 1 11 . 1 1 65 65 ASP CA C 65 55.765 55.765 54.591 1.174 19510 5601 1 11 . 1 1 65 65 ASP CB C 65 39.579 39.579 39.549 0.030 19510 5602 1 11 . 1 1 65 65 ASP H H 65 8.661 8.661 7.920 0.741 19510 5603 1 11 . 1 1 66 66 GLU N N 66 120.065 120.065 122.721 -2.656 19510 5604 1 11 . 1 1 66 66 GLU HA H 66 4.437 4.437 4.577 -0.140 19510 5605 1 11 . 1 1 66 66 GLU CA C 66 57.520 57.520 55.913 1.607 19510 5606 1 11 . 1 1 66 66 GLU CB C 66 27.598 27.598 31.307 -3.709 19510 5607 1 11 . 1 1 66 66 GLU H H 66 8.643 8.643 7.946 0.697 19510 5608 1 11 . 1 1 67 67 ASP N N 67 120.033 120.033 123.842 -3.809 19510 5609 1 11 . 1 1 67 67 ASP HA H 67 4.609 4.609 4.716 -0.107 19510 5610 1 11 . 1 1 67 67 ASP CA C 67 55.601 55.601 57.279 -1.678 19510 5611 1 11 . 1 1 67 67 ASP CB C 67 39.106 39.106 42.406 -3.300 19510 5612 1 11 . 1 1 67 67 ASP H H 67 8.272 8.272 8.661 -0.389 19510 5613 1 11 . 1 1 68 68 VAL N N 68 123.206 123.206 120.387 2.819 19510 5614 1 11 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.756 0.061 19510 5615 1 11 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.270 0.445 19510 5616 1 11 . 1 1 68 68 VAL CB C 68 30.705 30.705 31.873 -1.168 19510 5617 1 11 . 1 1 68 68 VAL H H 68 8.045 8.045 7.906 0.139 19510 5618 1 11 . 1 1 69 69 PHE N N 69 120.600 120.600 119.722 0.878 19510 5619 1 11 . 1 1 69 69 PHE HA H 69 4.158 4.158 4.074 0.084 19510 5620 1 11 . 1 1 69 69 PHE CA C 69 61.013 61.013 61.301 -0.288 19510 5621 1 11 . 1 1 69 69 PHE CB C 69 37.455 37.455 38.548 -1.093 19510 5622 1 11 . 1 1 69 69 PHE H H 69 8.488 8.488 7.547 0.941 19510 5623 1 11 . 1 1 70 70 ARG N N 70 117.820 117.820 119.496 -1.676 19510 5624 1 11 . 1 1 70 70 ARG HA H 70 3.755 3.755 3.746 0.009 19510 5625 1 11 . 1 1 70 70 ARG C C 70 178.813 178.813 178.134 0.679 19510 5626 1 11 . 1 1 70 70 ARG CA C 70 58.184 58.184 59.057 -0.873 19510 5627 1 11 . 1 1 70 70 ARG CB C 70 28.899 28.899 29.640 -0.741 19510 5628 1 11 . 1 1 70 70 ARG H H 70 8.611 8.611 8.603 0.008 19510 5629 1 11 . 1 1 71 71 LYS N N 71 121.726 121.726 118.456 3.270 19510 5630 1 11 . 1 1 71 71 LYS HA H 71 4.253 4.253 4.196 0.057 19510 5631 1 11 . 1 1 71 71 LYS C C 71 177.020 177.020 178.683 -1.663 19510 5632 1 11 . 1 1 71 71 LYS CA C 71 58.490 58.490 57.191 1.299 19510 5633 1 11 . 1 1 71 71 LYS CB C 71 31.216 31.216 31.800 -0.584 19510 5634 1 11 . 1 1 71 71 LYS H H 71 7.686 7.686 7.593 0.093 19510 5635 1 11 . 1 1 72 72 LEU N N 72 119.355 119.355 122.922 -3.567 19510 5636 1 11 . 1 1 72 72 LEU HA H 72 4.051 4.051 4.049 0.002 19510 5637 1 11 . 1 1 72 72 LEU C C 72 177.378 177.378 178.382 -1.004 19510 5638 1 11 . 1 1 72 72 LEU CA C 72 56.317 56.317 58.046 -1.729 19510 5639 1 11 . 1 1 72 72 LEU CB C 72 41.148 41.148 41.016 0.132 19510 5640 1 11 . 1 1 72 72 LEU H H 72 8.215 8.215 7.463 0.752 19510 5641 1 11 . 1 1 73 73 ALA N N 73 121.106 121.106 119.857 1.249 19510 5642 1 11 . 1 1 73 73 ALA HA H 73 3.767 3.767 3.885 -0.118 19510 5643 1 11 . 1 1 73 73 ALA C C 73 179.644 179.644 178.754 0.890 19510 5644 1 11 . 1 1 73 73 ALA CA C 73 53.263 53.263 54.871 -1.608 19510 5645 1 11 . 1 1 73 73 ALA CB C 73 15.930 15.930 17.903 -1.973 19510 5646 1 11 . 1 1 73 73 ALA H H 73 9.143 9.143 7.711 1.432 19510 5647 1 11 . 1 1 74 74 ALA N N 74 119.383 119.383 119.902 -0.519 19510 5648 1 11 . 1 1 74 74 ALA HA H 74 4.384 4.384 4.006 0.378 19510 5649 1 11 . 1 1 74 74 ALA C C 74 179.752 179.752 180.110 -0.358 19510 5650 1 11 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.618 -1.094 19510 5651 1 11 . 1 1 74 74 ALA CB C 74 17.094 17.094 18.214 -1.120 19510 5652 1 11 . 1 1 74 74 ALA H H 74 7.403 7.403 7.547 -0.144 19510 5653 1 11 . 1 1 75 75 ASP N N 75 120.226 120.226 120.108 0.118 19510 5654 1 11 . 1 1 75 75 ASP HA H 75 4.523 4.523 4.435 0.088 19510 5655 1 11 . 1 1 75 75 ASP C C 75 177.704 177.704 177.760 -0.056 19510 5656 1 11 . 1 1 75 75 ASP CA C 75 55.312 55.312 56.630 -1.318 19510 5657 1 11 . 1 1 75 75 ASP CB C 75 38.326 38.326 40.994 -2.668 19510 5658 1 11 . 1 1 75 75 ASP H H 75 8.536 8.536 7.967 0.569 19510 5659 1 11 . 1 1 76 76 LEU N N 76 115.468 115.468 118.721 -3.253 19510 5660 1 11 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.300 0.092 19510 5661 1 11 . 1 1 76 76 LEU C C 76 174.790 174.790 175.318 -0.528 19510 5662 1 11 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.475 -0.851 19510 5663 1 11 . 1 1 76 76 LEU CB C 76 39.594 39.594 42.201 -2.607 19510 5664 1 11 . 1 1 76 76 LEU H H 76 8.612 8.612 8.214 0.398 19510 5665 1 11 . 1 1 77 77 GLU N N 77 124.725 124.725 120.589 4.136 19510 5666 1 11 . 1 1 77 77 GLU HA H 77 4.343 4.343 3.942 0.401 19510 5667 1 11 . 1 1 77 77 GLU C C 77 176.953 176.953 177.142 -0.189 19510 5668 1 11 . 1 1 77 77 GLU CA C 77 57.345 57.345 58.235 -0.890 19510 5669 1 11 . 1 1 77 77 GLU CB C 77 27.555 27.555 29.000 -1.445 19510 5670 1 11 . 1 1 77 77 GLU H H 77 7.158 7.158 7.180 -0.022 19510 5671 1 11 . 1 1 78 78 GLY N N 78 118.105 118.105 114.019 4.086 19510 5672 1 11 . 1 1 78 78 GLY C C 78 173.075 173.075 174.818 -1.743 19510 5673 1 11 . 1 1 78 78 GLY CA C 78 44.269 44.269 45.464 -1.195 19510 5674 1 11 . 1 1 78 78 GLY H H 78 9.392 9.392 8.992 0.400 19510 5675 1 11 . 1 1 79 79 LYS N N 79 120.237 120.237 119.062 1.175 19510 5676 1 11 . 1 1 79 79 LYS HA H 79 4.663 4.663 4.594 0.069 19510 5677 1 11 . 1 1 79 79 LYS C C 79 175.050 175.050 174.825 0.225 19510 5678 1 11 . 1 1 79 79 LYS CA C 79 54.683 54.683 55.597 -0.914 19510 5679 1 11 . 1 1 79 79 LYS CB C 79 33.435 33.435 33.732 -0.297 19510 5680 1 11 . 1 1 79 79 LYS H H 79 8.809 8.809 8.405 0.404 19510 5681 1 11 . 1 1 80 80 ALA N N 80 121.135 121.135 121.140 -0.005 19510 5682 1 11 . 1 1 80 80 ALA HA H 80 4.893 4.893 4.812 0.081 19510 5683 1 11 . 1 1 80 80 ALA C C 80 174.051 174.051 174.680 -0.629 19510 5684 1 11 . 1 1 80 80 ALA CA C 80 50.289 50.289 51.633 -1.344 19510 5685 1 11 . 1 1 80 80 ALA CB C 80 20.483 20.483 21.483 -1.000 19510 5686 1 11 . 1 1 80 80 ALA H H 80 8.169 8.169 7.680 0.489 19510 5687 1 11 . 1 1 81 81 ASP N N 81 121.569 121.569 118.178 3.391 19510 5688 1 11 . 1 1 81 81 ASP HA H 81 4.898 4.898 5.052 -0.154 19510 5689 1 11 . 1 1 81 81 ASP CA C 81 50.397 50.397 53.351 -2.954 19510 5690 1 11 . 1 1 81 81 ASP CB C 81 40.401 40.401 44.288 -3.888 19510 5691 1 11 . 1 1 81 81 ASP H H 81 8.330 8.330 8.470 -0.140 19510 5692 1 11 . 1 1 82 82 GLU N N 82 119.843 119.843 121.476 -1.633 19510 5693 1 11 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.221 -0.036 19510 5694 1 11 . 1 1 82 82 GLU C C 82 177.350 177.350 178.478 -1.128 19510 5695 1 11 . 1 1 82 82 GLU CA C 82 59.676 59.676 60.722 -1.046 19510 5696 1 11 . 1 1 82 82 GLU CB C 82 27.893 27.893 29.790 -1.897 19510 5697 1 11 . 1 1 82 82 GLU H H 82 8.923 8.923 8.937 -0.014 19510 5698 1 11 . 1 1 83 83 GLU N N 83 119.348 119.348 118.560 0.788 19510 5699 1 11 . 1 1 83 83 GLU HA H 83 4.177 4.177 4.052 0.125 19510 5700 1 11 . 1 1 83 83 GLU C C 83 178.794 178.794 178.977 -0.183 19510 5701 1 11 . 1 1 83 83 GLU CA C 83 59.082 59.082 59.131 -0.049 19510 5702 1 11 . 1 1 83 83 GLU CB C 83 28.879 28.879 29.215 -0.336 19510 5703 1 11 . 1 1 83 83 GLU H H 83 8.832 8.832 8.792 0.040 19510 5704 1 11 . 1 1 84 84 THR N N 84 119.892 119.892 116.750 3.142 19510 5705 1 11 . 1 1 84 84 THR HA H 84 4.140 4.140 4.053 0.088 19510 5706 1 11 . 1 1 84 84 THR C C 84 176.165 176.165 176.525 -0.360 19510 5707 1 11 . 1 1 84 84 THR CA C 84 65.721 65.721 66.117 -0.396 19510 5708 1 11 . 1 1 84 84 THR CB C 84 66.751 66.751 68.545 -1.794 19510 5709 1 11 . 1 1 84 84 THR H H 84 8.576 8.576 7.835 0.741 19510 5710 1 11 . 1 1 85 85 ILE N N 85 123.655 123.655 121.802 1.853 19510 5711 1 11 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.716 0.103 19510 5712 1 11 . 1 1 85 85 ILE C C 85 174.809 174.809 177.497 -2.688 19510 5713 1 11 . 1 1 85 85 ILE CA C 85 64.891 64.891 65.919 -1.028 19510 5714 1 11 . 1 1 85 85 ILE CB C 85 37.797 37.797 38.151 -0.354 19510 5715 1 11 . 1 1 85 85 ILE H H 85 8.572 8.572 8.697 -0.125 19510 5716 1 11 . 1 1 86 86 ARG N N 86 119.670 119.670 119.488 0.182 19510 5717 1 11 . 1 1 86 86 ARG HA H 86 4.186 4.186 3.729 0.457 19510 5718 1 11 . 1 1 86 86 ARG CA C 86 58.766 58.766 58.464 0.302 19510 5719 1 11 . 1 1 86 86 ARG CB C 86 28.165 28.165 28.005 0.160 19510 5720 1 11 . 1 1 86 86 ARG H H 86 9.092 9.092 7.754 1.338 19510 5721 1 11 . 1 1 87 87 ALA N N 87 121.431 121.431 122.202 -0.771 19510 5722 1 11 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.034 0.273 19510 5723 1 11 . 1 1 87 87 ALA CA C 87 53.558 53.558 54.443 -0.885 19510 5724 1 11 . 1 1 87 87 ALA CB C 87 16.382 16.382 18.160 -1.778 19510 5725 1 11 . 1 1 87 87 ALA H H 87 8.242 8.242 7.355 0.887 19510 5726 1 11 . 1 1 88 88 LYS N N 88 122.742 122.742 119.916 2.826 19510 5727 1 11 . 1 1 88 88 LYS HA H 88 4.011 4.011 3.759 0.252 19510 5728 1 11 . 1 1 88 88 LYS CA C 88 55.172 55.172 59.490 -4.318 19510 5729 1 11 . 1 1 88 88 LYS CB C 88 29.078 29.078 31.795 -2.717 19510 5730 1 11 . 1 1 88 88 LYS H H 88 8.182 8.182 8.193 -0.011 19510 5731 1 11 . 1 1 89 89 MET N N 89 118.686 118.686 116.088 2.598 19510 5732 1 11 . 1 1 89 89 MET HA H 89 3.854 3.854 4.141 -0.287 19510 5733 1 11 . 1 1 89 89 MET CA C 89 59.175 59.175 58.727 0.448 19510 5734 1 11 . 1 1 89 89 MET CB C 89 31.697 31.697 32.276 -0.579 19510 5735 1 11 . 1 1 89 89 MET H H 89 8.504 8.504 7.739 0.765 19510 5736 1 11 . 1 1 90 90 VAL N N 90 120.987 120.987 118.369 2.618 19510 5737 1 11 . 1 1 90 90 VAL HA H 90 3.853 3.853 3.706 0.147 19510 5738 1 11 . 1 1 90 90 VAL C C 90 178.017 178.017 178.693 -0.676 19510 5739 1 11 . 1 1 90 90 VAL CA C 90 64.868 64.868 65.006 -0.138 19510 5740 1 11 . 1 1 90 90 VAL CB C 90 31.054 31.054 31.672 -0.618 19510 5741 1 11 . 1 1 90 90 VAL H H 90 7.573 7.573 7.383 0.190 19510 5742 1 11 . 1 1 91 91 GLU N N 91 124.236 124.236 120.488 3.748 19510 5743 1 11 . 1 1 91 91 GLU HA H 91 3.802 3.802 4.024 -0.222 19510 5744 1 11 . 1 1 91 91 GLU C C 91 177.612 177.612 179.091 -1.479 19510 5745 1 11 . 1 1 91 91 GLU CA C 91 58.414 58.414 58.968 -0.554 19510 5746 1 11 . 1 1 91 91 GLU CB C 91 30.606 30.606 29.648 0.958 19510 5747 1 11 . 1 1 91 91 GLU H H 91 8.494 8.494 8.161 0.333 19510 5748 1 11 . 1 1 92 92 LEU N N 92 114.818 114.818 119.296 -4.478 19510 5749 1 11 . 1 1 92 92 LEU HA H 92 4.336 4.336 4.138 0.198 19510 5750 1 11 . 1 1 92 92 LEU C C 92 177.928 177.928 178.010 -0.082 19510 5751 1 11 . 1 1 92 92 LEU CA C 92 56.351 56.351 55.727 0.624 19510 5752 1 11 . 1 1 92 92 LEU CB C 92 39.780 39.780 40.729 -0.949 19510 5753 1 11 . 1 1 92 92 LEU H H 92 8.833 8.833 7.946 0.887 19510 5754 1 11 . 1 1 93 93 ARG N N 93 123.398 123.398 121.622 1.776 19510 5755 1 11 . 1 1 93 93 ARG HA H 93 3.997 3.997 3.881 0.116 19510 5756 1 11 . 1 1 93 93 ARG C C 93 176.350 176.350 177.257 -0.907 19510 5757 1 11 . 1 1 93 93 ARG CA C 93 58.848 58.848 59.302 -0.454 19510 5758 1 11 . 1 1 93 93 ARG CB C 93 28.592 28.592 29.793 -1.201 19510 5759 1 11 . 1 1 93 93 ARG H H 93 7.746 7.746 7.478 0.268 19510 5760 1 11 . 1 1 94 94 ALA N N 94 122.480 122.480 118.126 4.354 19510 5761 1 11 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.490 -0.229 19510 5762 1 11 . 1 1 94 94 ALA C C 94 179.805 179.805 179.639 0.166 19510 5763 1 11 . 1 1 94 94 ALA CA C 94 54.529 54.529 53.620 0.909 19510 5764 1 11 . 1 1 94 94 ALA CB C 94 16.423 16.423 19.148 -2.724 19510 5765 1 11 . 1 1 94 94 ALA H H 94 7.322 7.322 8.341 -1.019 19510 5766 1 11 . 1 1 95 95 THR N N 95 116.936 116.936 117.377 -0.441 19510 5767 1 11 . 1 1 95 95 THR HA H 95 4.045 4.045 3.920 0.125 19510 5768 1 11 . 1 1 95 95 THR C C 95 175.007 175.007 175.989 -0.982 19510 5769 1 11 . 1 1 95 95 THR CA C 95 64.868 64.868 66.562 -1.694 19510 5770 1 11 . 1 1 95 95 THR CB C 95 67.633 67.633 68.215 -0.582 19510 5771 1 11 . 1 1 95 95 THR H H 95 8.275 8.275 8.247 0.028 19510 5772 1 11 . 1 1 96 96 ALA N N 96 123.969 123.969 123.727 0.242 19510 5773 1 11 . 1 1 96 96 ALA HA H 96 3.904 3.904 4.030 -0.126 19510 5774 1 11 . 1 1 96 96 ALA C C 96 178.184 178.184 178.636 -0.452 19510 5775 1 11 . 1 1 96 96 ALA CA C 96 54.098 54.098 54.973 -0.875 19510 5776 1 11 . 1 1 96 96 ALA CB C 96 18.118 18.118 18.403 -0.285 19510 5777 1 11 . 1 1 96 96 ALA H H 96 8.688 8.688 8.228 0.460 19510 5778 1 11 . 1 1 97 97 ARG N N 97 117.393 117.393 116.191 1.202 19510 5779 1 11 . 1 1 97 97 ARG HA H 97 3.857 3.857 4.284 -0.427 19510 5780 1 11 . 1 1 97 97 ARG C C 97 176.770 176.770 178.213 -1.443 19510 5781 1 11 . 1 1 97 97 ARG CA C 97 58.669 58.669 58.608 0.061 19510 5782 1 11 . 1 1 97 97 ARG CB C 97 28.932 28.932 30.377 -1.445 19510 5783 1 11 . 1 1 97 97 ARG H H 97 8.073 8.073 8.000 0.073 19510 5784 1 11 . 1 1 98 98 GLU N N 98 118.029 118.029 121.475 -3.446 19510 5785 1 11 . 1 1 98 98 GLU HA H 98 4.180 4.180 3.976 0.204 19510 5786 1 11 . 1 1 98 98 GLU C C 98 178.865 178.865 178.949 -0.084 19510 5787 1 11 . 1 1 98 98 GLU CA C 98 57.867 57.867 59.795 -1.928 19510 5788 1 11 . 1 1 98 98 GLU CB C 98 27.704 27.704 29.413 -1.708 19510 5789 1 11 . 1 1 98 98 GLU H H 98 7.896 7.896 7.828 0.068 19510 5790 1 11 . 1 1 99 99 GLN N N 99 119.735 119.735 116.397 3.338 19510 5791 1 11 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.101 0.084 19510 5792 1 11 . 1 1 99 99 GLN C C 99 178.146 178.146 178.462 -0.316 19510 5793 1 11 . 1 1 99 99 GLN CA C 99 57.748 57.748 58.733 -0.985 19510 5794 1 11 . 1 1 99 99 GLN CB C 99 27.529 27.529 28.700 -1.171 19510 5795 1 11 . 1 1 99 99 GLN H H 99 8.320 8.320 7.983 0.337 19510 5796 1 11 . 1 1 100 100 ILE N N 100 119.676 119.676 118.358 1.318 19510 5797 1 11 . 1 1 100 100 ILE HA H 100 3.993 3.993 4.051 -0.058 19510 5798 1 11 . 1 1 100 100 ILE C C 100 178.315 178.315 177.521 0.794 19510 5799 1 11 . 1 1 100 100 ILE CA C 100 60.935 60.935 62.371 -1.436 19510 5800 1 11 . 1 1 100 100 ILE CB C 100 34.935 34.935 38.150 -3.215 19510 5801 1 11 . 1 1 100 100 ILE H H 100 8.398 8.398 7.429 0.969 19510 5802 1 11 . 1 1 101 101 ILE N N 101 120.600 120.600 119.751 0.849 19510 5803 1 11 . 1 1 101 101 ILE HA H 101 4.027 4.027 3.640 0.387 19510 5804 1 11 . 1 1 101 101 ILE C C 101 177.006 177.006 178.311 -1.305 19510 5805 1 11 . 1 1 101 101 ILE CA C 101 62.382 62.382 64.798 -2.416 19510 5806 1 11 . 1 1 101 101 ILE CB C 101 36.195 36.195 37.554 -1.359 19510 5807 1 11 . 1 1 101 101 ILE H H 101 8.350 8.350 7.777 0.573 19510 5808 1 11 . 1 1 102 102 SER N N 102 116.172 116.172 114.984 1.188 19510 5809 1 11 . 1 1 102 102 SER HA H 102 4.589 4.589 4.302 0.287 19510 5810 1 11 . 1 1 102 102 SER C C 102 173.845 173.845 175.233 -1.388 19510 5811 1 11 . 1 1 102 102 SER CA C 102 58.735 58.735 60.650 -1.915 19510 5812 1 11 . 1 1 102 102 SER CB C 102 62.254 62.254 63.585 -1.331 19510 5813 1 11 . 1 1 102 102 SER H H 102 7.896 7.896 8.102 -0.206 19510 5814 1 11 . 1 1 103 103 GLU N N 103 122.642 122.642 120.231 2.411 19510 5815 1 11 . 1 1 103 103 GLU HA H 103 4.473 4.473 4.540 -0.067 19510 5816 1 11 . 1 1 103 103 GLU C C 103 175.095 175.095 175.624 -0.529 19510 5817 1 11 . 1 1 103 103 GLU CA C 103 55.006 55.006 54.449 0.557 19510 5818 1 11 . 1 1 103 103 GLU CB C 103 28.770 28.770 29.947 -1.177 19510 5819 1 11 . 1 1 103 103 GLU H H 103 7.780 7.780 7.635 0.145 19510 5820 1 12 . 1 1 4 4 PHE N N 4 122.548 122.548 118.753 3.795 19510 5821 1 12 . 1 1 4 4 PHE HA H 4 4.680 4.680 4.993 -0.313 19510 5822 1 12 . 1 1 4 4 PHE CA C 4 57.087 57.087 57.520 -0.433 19510 5823 1 12 . 1 1 4 4 PHE CB C 4 38.126 38.126 41.212 -3.086 19510 5824 1 12 . 1 1 4 4 PHE H H 4 8.328 8.328 8.738 -0.410 19510 5825 1 12 . 1 1 7 7 ARG N N 7 121.962 121.962 123.861 -1.899 19510 5826 1 12 . 1 1 7 7 ARG HA H 7 4.265 4.265 4.566 -0.301 19510 5827 1 12 . 1 1 7 7 ARG C C 7 176.683 176.683 176.074 0.609 19510 5828 1 12 . 1 1 7 7 ARG CA C 7 56.502 56.502 55.548 0.954 19510 5829 1 12 . 1 1 7 7 ARG CB C 7 28.840 28.840 30.988 -2.148 19510 5830 1 12 . 1 1 7 7 ARG H H 7 8.339 8.339 8.021 0.319 19510 5831 1 12 . 1 1 8 8 GLU N N 8 121.095 121.095 120.678 0.417 19510 5832 1 12 . 1 1 8 8 GLU HA H 8 4.233 4.233 4.279 -0.046 19510 5833 1 12 . 1 1 8 8 GLU C C 8 176.964 176.964 176.900 0.064 19510 5834 1 12 . 1 1 8 8 GLU CA C 8 57.517 57.517 56.026 1.492 19510 5835 1 12 . 1 1 8 8 GLU CB C 8 27.744 27.744 30.592 -2.848 19510 5836 1 12 . 1 1 8 8 GLU H H 8 8.384 8.384 8.501 -0.117 19510 5837 1 12 . 1 1 9 9 ARG N N 9 121.320 121.320 121.708 -0.388 19510 5838 1 12 . 1 1 9 9 ARG HA H 9 4.310 4.310 4.109 0.201 19510 5839 1 12 . 1 1 9 9 ARG C C 9 176.563 176.563 174.973 1.590 19510 5840 1 12 . 1 1 9 9 ARG CA C 9 56.233 56.233 56.884 -0.651 19510 5841 1 12 . 1 1 9 9 ARG CB C 9 28.977 28.977 30.535 -1.558 19510 5842 1 12 . 1 1 9 9 ARG H H 9 8.291 8.291 8.408 -0.117 19510 5843 1 12 . 1 1 10 10 ALA N N 10 123.900 123.900 124.956 -1.056 19510 5844 1 12 . 1 1 10 10 ALA HA H 10 4.333 4.333 4.536 -0.203 19510 5845 1 12 . 1 1 10 10 ALA C C 10 178.129 178.129 175.898 2.231 19510 5846 1 12 . 1 1 10 10 ALA CA C 10 52.348 52.348 52.037 0.311 19510 5847 1 12 . 1 1 10 10 ALA CB C 10 17.396 17.396 20.111 -2.716 19510 5848 1 12 . 1 1 10 10 ALA H H 10 8.225 8.225 8.540 -0.315 19510 5849 1 12 . 1 1 11 11 HIS N N 11 117.829 117.829 118.396 -0.567 19510 5850 1 12 . 1 1 11 11 HIS HA H 11 4.740 4.740 4.855 -0.115 19510 5851 1 12 . 1 1 11 11 HIS C C 11 175.013 175.013 174.716 0.297 19510 5852 1 12 . 1 1 11 11 HIS CA C 11 55.041 55.041 55.340 -0.299 19510 5853 1 12 . 1 1 11 11 HIS CB C 11 27.391 27.391 30.420 -3.029 19510 5854 1 12 . 1 1 11 11 HIS H H 11 8.500 8.500 9.041 -0.541 19510 5855 1 12 . 1 1 12 12 GLU N N 12 121.398 121.398 123.115 -1.717 19510 5856 1 12 . 1 1 12 12 GLU HA H 12 4.326 4.326 4.045 0.281 19510 5857 1 12 . 1 1 12 12 GLU C C 12 176.808 176.808 177.072 -0.264 19510 5858 1 12 . 1 1 12 12 GLU CA C 12 56.517 56.517 56.989 -0.472 19510 5859 1 12 . 1 1 12 12 GLU CB C 12 28.289 28.289 29.437 -1.148 19510 5860 1 12 . 1 1 12 12 GLU H H 12 8.456 8.456 8.531 -0.075 19510 5861 1 12 . 1 1 13 13 ALA N N 13 124.231 124.231 128.384 -4.153 19510 5862 1 12 . 1 1 13 13 ALA HA H 13 4.309 4.309 3.974 0.335 19510 5863 1 12 . 1 1 13 13 ALA C C 13 178.197 178.197 178.619 -0.422 19510 5864 1 12 . 1 1 13 13 ALA CA C 13 53.511 53.511 53.827 -0.316 19510 5865 1 12 . 1 1 13 13 ALA CB C 13 17.174 17.174 18.066 -0.892 19510 5866 1 12 . 1 1 13 13 ALA H H 13 8.444 8.444 8.772 -0.328 19510 5867 1 12 . 1 1 14 14 LYS N N 14 120.159 120.159 117.654 2.505 19510 5868 1 12 . 1 1 14 14 LYS HA H 14 4.257 4.257 4.198 0.059 19510 5869 1 12 . 1 1 14 14 LYS C C 14 176.757 176.757 177.638 -0.881 19510 5870 1 12 . 1 1 14 14 LYS CA C 14 56.461 56.461 57.432 -0.971 19510 5871 1 12 . 1 1 14 14 LYS CB C 14 31.191 31.191 31.951 -0.760 19510 5872 1 12 . 1 1 14 14 LYS H H 14 8.136 8.136 7.570 0.566 19510 5873 1 12 . 1 1 15 15 PHE N N 15 118.588 118.588 119.779 -1.191 19510 5874 1 12 . 1 1 15 15 PHE HA H 15 4.527 4.527 4.333 0.194 19510 5875 1 12 . 1 1 15 15 PHE C C 15 175.635 175.635 178.444 -2.809 19510 5876 1 12 . 1 1 15 15 PHE CA C 15 57.992 57.992 60.809 -2.817 19510 5877 1 12 . 1 1 15 15 PHE CB C 15 37.908 37.908 38.645 -0.737 19510 5878 1 12 . 1 1 15 15 PHE H H 15 7.998 7.998 8.509 -0.511 19510 5879 1 12 . 1 1 16 16 ALA N N 16 122.847 122.847 119.516 3.331 19510 5880 1 12 . 1 1 16 16 ALA HA H 16 4.317 4.317 4.272 0.045 19510 5881 1 12 . 1 1 16 16 ALA C C 16 177.641 177.641 176.917 0.724 19510 5882 1 12 . 1 1 16 16 ALA CA C 16 52.317 52.317 53.653 -1.336 19510 5883 1 12 . 1 1 16 16 ALA CB C 16 17.378 17.378 17.694 -0.316 19510 5884 1 12 . 1 1 16 16 ALA H H 16 8.172 8.172 8.241 -0.069 19510 5885 1 12 . 1 1 17 17 HIS N N 17 115.904 115.904 116.674 -0.770 19510 5886 1 12 . 1 1 17 17 HIS HA H 17 4.839 4.839 4.718 0.121 19510 5887 1 12 . 1 1 17 17 HIS CA C 17 54.594 54.594 56.472 -1.878 19510 5888 1 12 . 1 1 17 17 HIS CB C 17 27.532 27.532 31.713 -4.181 19510 5889 1 12 . 1 1 17 17 HIS H H 17 8.218 8.218 7.825 0.393 19510 5890 1 12 . 1 1 18 18 ASP N N 18 121.432 121.432 122.140 -0.708 19510 5891 1 12 . 1 1 18 18 ASP HA H 18 4.758 4.758 4.803 -0.045 19510 5892 1 12 . 1 1 18 18 ASP CA C 18 53.004 53.004 54.287 -1.283 19510 5893 1 12 . 1 1 18 18 ASP CB C 18 39.571 39.571 42.279 -2.708 19510 5894 1 12 . 1 1 18 18 ASP H H 18 8.103 8.103 8.382 -0.279 19510 5895 1 12 . 1 1 19 19 ALA N N 19 126.628 126.628 126.356 0.272 19510 5896 1 12 . 1 1 19 19 ALA HA H 19 4.303 4.303 4.002 0.301 19510 5897 1 12 . 1 1 19 19 ALA CA C 19 53.177 53.177 54.497 -1.320 19510 5898 1 12 . 1 1 19 19 ALA CB C 19 17.231 17.231 18.428 -1.198 19510 5899 1 12 . 1 1 19 19 ALA H H 19 8.588 8.588 8.545 0.043 19510 5900 1 12 . 1 1 20 20 GLU N N 20 119.826 119.826 118.823 1.003 19510 5901 1 12 . 1 1 20 20 GLU HA H 20 4.314 4.314 4.214 0.100 19510 5902 1 12 . 1 1 20 20 GLU CA C 20 57.403 57.403 59.746 -2.343 19510 5903 1 12 . 1 1 20 20 GLU CB C 20 27.780 27.780 28.931 -1.151 19510 5904 1 12 . 1 1 20 20 GLU H H 20 8.391 8.391 8.842 -0.451 19510 5905 1 12 . 1 1 21 21 LEU N N 21 122.268 122.268 117.740 4.528 19510 5906 1 12 . 1 1 21 21 LEU HA H 21 4.179 4.179 4.279 -0.100 19510 5907 1 12 . 1 1 21 21 LEU CA C 21 56.531 56.531 57.127 -0.596 19510 5908 1 12 . 1 1 21 21 LEU CB C 21 40.255 40.255 41.708 -1.453 19510 5909 1 12 . 1 1 21 21 LEU H H 21 8.134 8.134 8.085 0.049 19510 5910 1 12 . 1 1 22 22 ASN N N 22 118.005 118.005 116.391 1.614 19510 5911 1 12 . 1 1 22 22 ASN HA H 22 4.665 4.665 3.472 1.193 19510 5912 1 12 . 1 1 22 22 ASN CA C 22 55.493 55.493 54.682 0.811 19510 5913 1 12 . 1 1 22 22 ASN CB C 22 37.084 37.084 38.772 -1.688 19510 5914 1 12 . 1 1 22 22 ASN H H 22 8.456 8.456 7.601 0.855 19510 5915 1 12 . 1 1 23 23 PHE N N 23 121.379 121.379 121.560 -0.181 19510 5916 1 12 . 1 1 23 23 PHE HA H 23 4.509 4.509 4.128 0.381 19510 5917 1 12 . 1 1 23 23 PHE CA C 23 59.496 59.496 60.023 -0.527 19510 5918 1 12 . 1 1 23 23 PHE CB C 23 37.380 37.380 38.814 -1.434 19510 5919 1 12 . 1 1 23 23 PHE H H 23 8.453 8.453 8.584 -0.131 19510 5920 1 12 . 1 1 24 24 LYS N N 24 120.674 120.674 117.786 2.888 19510 5921 1 12 . 1 1 24 24 LYS HA H 24 4.191 4.191 3.958 0.233 19510 5922 1 12 . 1 1 24 24 LYS C C 24 179.309 179.309 178.272 1.037 19510 5923 1 12 . 1 1 24 24 LYS CA C 24 58.132 58.132 58.999 -0.867 19510 5924 1 12 . 1 1 24 24 LYS CB C 24 31.828 31.828 31.750 0.078 19510 5925 1 12 . 1 1 24 24 LYS H H 24 8.504 8.504 7.679 0.825 19510 5926 1 12 . 1 1 25 25 ALA N N 25 123.584 123.584 123.308 0.276 19510 5927 1 12 . 1 1 25 25 ALA HA H 25 4.146 4.146 4.247 -0.101 19510 5928 1 12 . 1 1 25 25 ALA C C 25 178.243 178.243 179.612 -1.369 19510 5929 1 12 . 1 1 25 25 ALA CA C 25 53.760 53.760 54.679 -0.919 19510 5930 1 12 . 1 1 25 25 ALA CB C 25 16.827 16.827 19.499 -2.672 19510 5931 1 12 . 1 1 25 25 ALA H H 25 8.841 8.841 7.752 1.089 19510 5932 1 12 . 1 1 26 26 GLU N N 26 122.239 122.239 117.791 4.448 19510 5933 1 12 . 1 1 26 26 GLU HA H 26 4.083 4.083 4.123 -0.040 19510 5934 1 12 . 1 1 26 26 GLU C C 26 177.265 177.265 176.863 0.402 19510 5935 1 12 . 1 1 26 26 GLU CA C 26 57.850 57.850 58.467 -0.617 19510 5936 1 12 . 1 1 26 26 GLU CB C 26 28.891 28.891 29.744 -0.853 19510 5937 1 12 . 1 1 26 26 GLU H H 26 8.482 8.482 8.228 0.254 19510 5938 1 12 . 1 1 27 27 ALA N N 27 122.124 122.124 120.229 1.895 19510 5939 1 12 . 1 1 27 27 ALA HA H 27 4.352 4.352 4.765 -0.413 19510 5940 1 12 . 1 1 27 27 ALA C C 27 180.552 180.552 176.896 3.656 19510 5941 1 12 . 1 1 27 27 ALA CA C 27 53.519 53.519 50.812 2.707 19510 5942 1 12 . 1 1 27 27 ALA CB C 27 16.410 16.410 19.183 -2.773 19510 5943 1 12 . 1 1 27 27 ALA H H 27 8.043 8.043 7.501 0.542 19510 5944 1 12 . 1 1 28 28 ARG N N 28 120.375 120.375 119.071 1.304 19510 5945 1 12 . 1 1 28 28 ARG HA H 28 4.441 4.441 4.568 -0.127 19510 5946 1 12 . 1 1 28 28 ARG C C 28 176.309 176.309 176.847 -0.538 19510 5947 1 12 . 1 1 28 28 ARG CA C 28 55.369 55.369 55.659 -0.290 19510 5948 1 12 . 1 1 28 28 ARG CB C 28 28.480 28.480 30.768 -2.288 19510 5949 1 12 . 1 1 28 28 ARG H H 28 8.101 8.101 7.618 0.483 19510 5950 1 12 . 1 1 29 29 ARG N N 29 122.734 122.734 120.280 2.454 19510 5951 1 12 . 1 1 29 29 ARG HA H 29 3.743 3.743 4.139 -0.396 19510 5952 1 12 . 1 1 29 29 ARG CA C 29 58.672 58.672 59.770 -1.098 19510 5953 1 12 . 1 1 29 29 ARG CB C 29 29.051 29.051 30.055 -1.004 19510 5954 1 12 . 1 1 29 29 ARG H H 29 8.901 8.901 8.595 0.306 19510 5955 1 12 . 1 1 30 30 ASN N N 30 119.961 119.961 118.047 1.914 19510 5956 1 12 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.509 0.125 19510 5957 1 12 . 1 1 30 30 ASN C C 30 175.888 175.888 176.851 -0.963 19510 5958 1 12 . 1 1 30 30 ASN CA C 30 55.147 55.147 56.656 -1.509 19510 5959 1 12 . 1 1 30 30 ASN CB C 30 35.418 35.418 37.765 -2.347 19510 5960 1 12 . 1 1 30 30 ASN H H 30 8.429 8.429 8.655 -0.226 19510 5961 1 12 . 1 1 31 31 ARG N N 31 123.400 123.400 119.371 4.029 19510 5962 1 12 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.091 0.191 19510 5963 1 12 . 1 1 31 31 ARG C C 31 177.804 177.804 177.850 -0.046 19510 5964 1 12 . 1 1 31 31 ARG CA C 31 58.132 58.132 58.523 -0.391 19510 5965 1 12 . 1 1 31 31 ARG CB C 31 27.636 27.636 28.819 -1.183 19510 5966 1 12 . 1 1 31 31 ARG H H 31 8.052 8.052 8.406 -0.354 19510 5967 1 12 . 1 1 32 32 LEU N N 32 119.872 119.872 119.540 0.332 19510 5968 1 12 . 1 1 32 32 LEU HA H 32 4.318 4.318 4.379 -0.061 19510 5969 1 12 . 1 1 32 32 LEU C C 32 180.602 180.602 178.871 1.731 19510 5970 1 12 . 1 1 32 32 LEU CA C 32 56.471 56.471 56.941 -0.470 19510 5971 1 12 . 1 1 32 32 LEU CB C 32 40.558 40.558 40.626 -0.068 19510 5972 1 12 . 1 1 32 32 LEU H H 32 8.752 8.752 8.066 0.686 19510 5973 1 12 . 1 1 33 33 LEU N N 33 124.468 124.468 119.592 4.876 19510 5974 1 12 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.327 -0.026 19510 5975 1 12 . 1 1 33 33 LEU C C 33 177.992 177.992 179.503 -1.511 19510 5976 1 12 . 1 1 33 33 LEU CA C 33 56.482 56.482 57.630 -1.149 19510 5977 1 12 . 1 1 33 33 LEU CB C 33 41.626 41.626 40.613 1.013 19510 5978 1 12 . 1 1 33 33 LEU H H 33 9.273 9.273 7.895 1.378 19510 5979 1 12 . 1 1 34 34 GLY N N 34 109.045 109.045 104.264 4.781 19510 5980 1 12 . 1 1 34 34 GLY C C 34 174.530 174.530 174.720 -0.190 19510 5981 1 12 . 1 1 34 34 GLY CA C 34 45.447 45.447 46.511 -1.065 19510 5982 1 12 . 1 1 34 34 GLY H H 34 8.907 8.907 7.951 0.956 19510 5983 1 12 . 1 1 35 35 GLU N N 35 123.414 123.414 119.025 4.389 19510 5984 1 12 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.486 -0.309 19510 5985 1 12 . 1 1 35 35 GLU C C 35 178.866 178.866 177.417 1.449 19510 5986 1 12 . 1 1 35 35 GLU CA C 35 59.564 59.564 56.811 2.753 19510 5987 1 12 . 1 1 35 35 GLU CB C 35 27.692 27.692 29.997 -2.305 19510 5988 1 12 . 1 1 35 35 GLU H H 35 8.935 8.935 7.865 1.070 19510 5989 1 12 . 1 1 36 36 TRP N N 36 124.774 124.774 122.537 2.237 19510 5990 1 12 . 1 1 36 36 TRP HA H 36 4.604 4.604 4.472 0.132 19510 5991 1 12 . 1 1 36 36 TRP C C 36 177.618 177.618 177.388 0.230 19510 5992 1 12 . 1 1 36 36 TRP CA C 36 58.867 58.867 59.812 -0.945 19510 5993 1 12 . 1 1 36 36 TRP CB C 36 26.021 26.021 29.664 -3.643 19510 5994 1 12 . 1 1 36 36 TRP H H 36 8.531 8.531 7.386 1.145 19510 5995 1 12 . 1 1 37 37 ALA N N 37 123.777 123.777 121.161 2.616 19510 5996 1 12 . 1 1 37 37 ALA HA H 37 3.403 3.403 2.978 0.425 19510 5997 1 12 . 1 1 37 37 ALA C C 37 177.427 177.427 178.570 -1.143 19510 5998 1 12 . 1 1 37 37 ALA CA C 37 53.148 53.148 54.629 -1.481 19510 5999 1 12 . 1 1 37 37 ALA CB C 37 18.440 18.440 17.228 1.212 19510 6000 1 12 . 1 1 37 37 ALA H H 37 9.141 9.141 7.766 1.375 19510 6001 1 12 . 1 1 38 38 ALA N N 38 119.259 119.259 121.629 -2.370 19510 6002 1 12 . 1 1 38 38 ALA HA H 38 3.523 3.523 3.492 0.031 19510 6003 1 12 . 1 1 38 38 ALA C C 38 178.670 178.670 179.321 -0.651 19510 6004 1 12 . 1 1 38 38 ALA CA C 38 53.882 53.882 54.975 -1.093 19510 6005 1 12 . 1 1 38 38 ALA CB C 38 17.083 17.083 17.981 -0.898 19510 6006 1 12 . 1 1 38 38 ALA H H 38 8.788 8.788 8.312 0.476 19510 6007 1 12 . 1 1 39 39 GLY N N 39 104.011 104.011 106.467 -2.456 19510 6008 1 12 . 1 1 39 39 GLY C C 39 177.232 177.232 175.961 1.271 19510 6009 1 12 . 1 1 39 39 GLY CA C 39 45.519 45.519 47.104 -1.585 19510 6010 1 12 . 1 1 39 39 GLY H H 39 7.756 7.756 8.059 -0.303 19510 6011 1 12 . 1 1 40 40 LEU N N 40 125.340 125.340 121.333 4.007 19510 6012 1 12 . 1 1 40 40 LEU HA H 40 4.111 4.111 3.961 0.150 19510 6013 1 12 . 1 1 40 40 LEU C C 40 178.203 178.203 179.086 -0.883 19510 6014 1 12 . 1 1 40 40 LEU CA C 40 56.123 56.123 57.178 -1.054 19510 6015 1 12 . 1 1 40 40 LEU CB C 40 40.764 40.764 41.425 -0.661 19510 6016 1 12 . 1 1 40 40 LEU H H 40 7.511 7.511 7.316 0.195 19510 6017 1 12 . 1 1 41 41 LEU N N 41 117.234 117.234 115.393 1.841 19510 6018 1 12 . 1 1 41 41 LEU HA H 41 4.139 4.139 3.966 0.173 19510 6019 1 12 . 1 1 41 41 LEU C C 41 176.119 176.119 177.845 -1.726 19510 6020 1 12 . 1 1 41 41 LEU CA C 41 53.213 53.213 56.365 -3.152 19510 6021 1 12 . 1 1 41 41 LEU CB C 41 41.092 41.092 41.920 -0.828 19510 6022 1 12 . 1 1 41 41 LEU H H 41 7.692 7.692 8.261 -0.569 19510 6023 1 12 . 1 1 42 42 GLY N N 42 109.595 109.595 104.349 5.246 19510 6024 1 12 . 1 1 42 42 GLY C C 42 173.775 173.775 174.429 -0.654 19510 6025 1 12 . 1 1 42 42 GLY CA C 42 44.409 44.409 44.430 -0.021 19510 6026 1 12 . 1 1 42 42 GLY H H 42 7.896 7.896 7.308 0.588 19510 6027 1 12 . 1 1 43 43 LYS N N 43 119.965 119.965 122.261 -2.296 19510 6028 1 12 . 1 1 43 43 LYS HA H 43 4.737 4.737 4.345 0.392 19510 6029 1 12 . 1 1 43 43 LYS C C 43 175.246 175.246 175.439 -0.193 19510 6030 1 12 . 1 1 43 43 LYS CA C 43 54.189 54.189 56.808 -2.619 19510 6031 1 12 . 1 1 43 43 LYS CB C 43 33.208 33.208 33.090 0.118 19510 6032 1 12 . 1 1 43 43 LYS H H 43 8.104 8.104 8.190 -0.086 19510 6033 1 12 . 1 1 44 44 THR N N 44 114.199 114.199 112.888 1.311 19510 6034 1 12 . 1 1 44 44 THR HA H 44 4.773 4.773 4.518 0.255 19510 6035 1 12 . 1 1 44 44 THR C C 44 174.392 174.392 175.269 -0.877 19510 6036 1 12 . 1 1 44 44 THR CA C 44 58.348 58.348 60.289 -1.941 19510 6037 1 12 . 1 1 44 44 THR CB C 44 70.921 70.921 71.840 -0.919 19510 6038 1 12 . 1 1 44 44 THR H H 44 8.958 8.958 8.042 0.916 19510 6039 1 12 . 1 1 45 45 GLY N N 45 109.657 109.657 109.707 -0.050 19510 6040 1 12 . 1 1 45 45 GLY C C 45 175.330 175.330 175.577 -0.247 19510 6041 1 12 . 1 1 45 45 GLY CA C 45 45.315 45.315 46.725 -1.410 19510 6042 1 12 . 1 1 45 45 GLY H H 45 8.885 8.885 8.573 0.312 19510 6043 1 12 . 1 1 46 46 ASP N N 46 128.403 128.403 123.954 4.449 19510 6044 1 12 . 1 1 46 46 ASP HA H 46 4.561 4.561 4.654 -0.093 19510 6045 1 12 . 1 1 46 46 ASP C C 46 177.343 177.343 177.270 0.073 19510 6046 1 12 . 1 1 46 46 ASP CA C 46 55.829 55.829 55.239 0.590 19510 6047 1 12 . 1 1 46 46 ASP CB C 46 39.039 39.039 40.852 -1.813 19510 6048 1 12 . 1 1 46 46 ASP H H 46 9.318 9.318 8.439 0.879 19510 6049 1 12 . 1 1 47 47 ASP N N 47 121.367 121.367 120.215 1.152 19510 6050 1 12 . 1 1 47 47 ASP HA H 47 4.668 4.668 4.466 0.202 19510 6051 1 12 . 1 1 47 47 ASP CA C 47 55.545 55.545 57.212 -1.667 19510 6052 1 12 . 1 1 47 47 ASP CB C 47 39.415 39.415 41.299 -1.884 19510 6053 1 12 . 1 1 47 47 ASP H H 47 8.521 8.521 8.193 0.328 19510 6054 1 12 . 1 1 48 48 ALA N N 48 123.210 123.210 123.008 0.202 19510 6055 1 12 . 1 1 48 48 ALA HA H 48 3.940 3.940 3.989 -0.049 19510 6056 1 12 . 1 1 48 48 ALA CA C 48 53.331 53.331 55.339 -2.008 19510 6057 1 12 . 1 1 48 48 ALA CB C 48 16.036 16.036 18.586 -2.550 19510 6058 1 12 . 1 1 48 48 ALA H H 48 7.262 7.262 7.748 -0.486 19510 6059 1 12 . 1 1 49 49 ARG N N 49 120.088 120.088 117.789 2.299 19510 6060 1 12 . 1 1 49 49 ARG HA H 49 4.126 4.126 4.026 0.100 19510 6061 1 12 . 1 1 49 49 ARG CA C 49 57.876 57.876 59.111 -1.236 19510 6062 1 12 . 1 1 49 49 ARG CB C 49 28.774 28.774 30.144 -1.370 19510 6063 1 12 . 1 1 49 49 ARG H H 49 7.805 7.805 7.600 0.205 19510 6064 1 12 . 1 1 50 50 ALA N N 50 121.061 121.061 120.251 0.810 19510 6065 1 12 . 1 1 50 50 ALA HA H 50 4.218 4.218 4.171 0.047 19510 6066 1 12 . 1 1 50 50 ALA CA C 50 53.399 53.399 54.625 -1.226 19510 6067 1 12 . 1 1 50 50 ALA CB C 50 16.672 16.672 19.118 -2.446 19510 6068 1 12 . 1 1 50 50 ALA H H 50 8.387 8.387 7.915 0.472 19510 6069 1 12 . 1 1 51 51 TYR N N 51 119.264 119.264 121.982 -2.718 19510 6070 1 12 . 1 1 51 51 TYR HA H 51 4.231 4.231 4.240 -0.009 19510 6071 1 12 . 1 1 51 51 TYR C C 51 178.335 178.335 177.875 0.460 19510 6072 1 12 . 1 1 51 51 TYR CA C 51 60.493 60.493 60.936 -0.443 19510 6073 1 12 . 1 1 51 51 TYR CB C 51 37.094 37.094 38.535 -1.441 19510 6074 1 12 . 1 1 51 51 TYR H H 51 8.095 8.095 8.369 -0.274 19510 6075 1 12 . 1 1 52 52 ALA N N 52 124.002 124.002 120.492 3.510 19510 6076 1 12 . 1 1 52 52 ALA HA H 52 3.899 3.899 4.159 -0.260 19510 6077 1 12 . 1 1 52 52 ALA C C 52 178.352 178.352 177.161 1.191 19510 6078 1 12 . 1 1 52 52 ALA CA C 52 54.394 54.394 53.658 0.736 19510 6079 1 12 . 1 1 52 52 ALA CB C 52 16.369 16.369 18.187 -1.818 19510 6080 1 12 . 1 1 52 52 ALA H H 52 8.651 8.651 8.509 0.142 19510 6081 1 12 . 1 1 53 53 LEU N N 53 116.593 116.593 115.920 0.673 19510 6082 1 12 . 1 1 53 53 LEU HA H 53 4.301 4.301 4.530 -0.229 19510 6083 1 12 . 1 1 53 53 LEU C C 53 177.452 177.452 177.240 0.212 19510 6084 1 12 . 1 1 53 53 LEU CA C 53 55.412 55.412 55.193 0.219 19510 6085 1 12 . 1 1 53 53 LEU CB C 53 40.510 40.510 42.291 -1.781 19510 6086 1 12 . 1 1 53 53 LEU H H 53 7.664 7.664 7.704 -0.040 19510 6087 1 12 . 1 1 54 54 THR N N 54 110.998 110.998 112.569 -1.571 19510 6088 1 12 . 1 1 54 54 THR HA H 54 4.401 4.401 4.370 0.031 19510 6089 1 12 . 1 1 54 54 THR CA C 54 61.997 61.997 62.124 -0.127 19510 6090 1 12 . 1 1 54 54 THR CB C 54 67.988 67.988 69.755 -1.767 19510 6091 1 12 . 1 1 54 54 THR H H 54 7.962 7.962 7.701 0.261 19510 6092 1 12 . 1 1 55 55 VAL N N 55 123.907 123.907 122.485 1.422 19510 6093 1 12 . 1 1 55 55 VAL HA H 55 3.869 3.869 4.283 -0.414 19510 6094 1 12 . 1 1 55 55 VAL CA C 55 62.373 62.373 62.223 0.150 19510 6095 1 12 . 1 1 55 55 VAL CB C 55 29.037 29.037 33.121 -4.084 19510 6096 1 12 . 1 1 55 55 VAL H H 55 7.217 7.217 7.582 -0.365 19510 6097 1 12 . 1 1 56 56 VAL N N 56 119.176 119.176 125.993 -6.817 19510 6098 1 12 . 1 1 56 56 VAL HA H 56 4.300 4.300 4.319 -0.019 19510 6099 1 12 . 1 1 56 56 VAL CA C 56 55.363 55.363 61.080 -5.717 19510 6100 1 12 . 1 1 56 56 VAL CB C 56 32.466 32.466 33.224 -0.758 19510 6101 1 12 . 1 1 56 56 VAL H H 56 7.474 7.474 8.160 -0.686 19510 6102 1 12 . 1 1 57 57 THR N N 57 114.951 114.951 121.234 -6.283 19510 6103 1 12 . 1 1 57 57 THR HA H 57 4.509 4.509 4.470 0.039 19510 6104 1 12 . 1 1 57 57 THR CA C 57 60.698 60.698 62.278 -1.580 19510 6105 1 12 . 1 1 57 57 THR CB C 57 68.177 68.177 68.585 -0.408 19510 6106 1 12 . 1 1 57 57 THR H H 57 7.992 7.992 8.442 -0.450 19510 6107 1 12 . 1 1 58 58 SER N N 58 119.820 119.820 123.341 -3.521 19510 6108 1 12 . 1 1 58 58 SER HA H 58 4.554 4.554 4.802 -0.248 19510 6109 1 12 . 1 1 58 58 SER CA C 58 57.409 57.409 58.794 -1.385 19510 6110 1 12 . 1 1 58 58 SER CB C 58 62.399 62.399 62.524 -0.125 19510 6111 1 12 . 1 1 58 58 SER H H 58 8.473 8.473 8.559 -0.086 19510 6112 1 12 . 1 1 59 59 ASP N N 59 122.199 122.199 121.673 0.526 19510 6113 1 12 . 1 1 59 59 ASP HA H 59 4.762 4.762 4.893 -0.131 19510 6114 1 12 . 1 1 59 59 ASP C C 59 175.459 175.459 174.173 1.286 19510 6115 1 12 . 1 1 59 59 ASP CA C 59 52.469 52.469 53.917 -1.448 19510 6116 1 12 . 1 1 59 59 ASP CB C 59 39.455 39.455 41.732 -2.277 19510 6117 1 12 . 1 1 59 59 ASP H H 59 8.285 8.285 8.067 0.218 19510 6118 1 12 . 1 1 60 60 PHE HA H 60 4.182 4.182 4.764 -0.582 19510 6119 1 12 . 1 1 60 60 PHE CA C 60 59.253 59.253 56.021 3.232 19510 6120 1 12 . 1 1 60 60 PHE CB C 60 35.163 35.163 39.671 -4.508 19510 6121 1 12 . 1 1 63 63 PRO HA H 63 4.606 4.606 4.340 0.266 19510 6122 1 12 . 1 1 63 63 PRO CA C 63 55.716 55.716 63.190 -7.474 19510 6123 1 12 . 1 1 63 63 PRO CB C 63 30.732 30.732 30.245 0.487 19510 6124 1 12 . 1 1 64 64 GLY N N 64 110.382 110.382 111.884 -1.502 19510 6125 1 12 . 1 1 64 64 GLY CA C 64 44.280 44.280 44.861 -0.581 19510 6126 1 12 . 1 1 64 64 GLY H H 64 8.706 8.706 8.247 0.459 19510 6127 1 12 . 1 1 65 65 ASP N N 65 121.977 121.977 121.402 0.575 19510 6128 1 12 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.212 0.451 19510 6129 1 12 . 1 1 65 65 ASP CA C 65 55.765 55.765 56.401 -0.636 19510 6130 1 12 . 1 1 65 65 ASP CB C 65 39.579 39.579 40.639 -1.060 19510 6131 1 12 . 1 1 65 65 ASP H H 65 8.661 8.661 8.561 0.100 19510 6132 1 12 . 1 1 66 66 GLU N N 66 120.065 120.065 114.610 5.455 19510 6133 1 12 . 1 1 66 66 GLU HA H 66 4.437 4.437 3.563 0.874 19510 6134 1 12 . 1 1 66 66 GLU CA C 66 57.520 57.520 58.009 -0.489 19510 6135 1 12 . 1 1 66 66 GLU CB C 66 27.598 27.598 28.959 -1.361 19510 6136 1 12 . 1 1 66 66 GLU H H 66 8.643 8.643 8.180 0.463 19510 6137 1 12 . 1 1 67 67 ASP N N 67 120.033 120.033 117.818 2.215 19510 6138 1 12 . 1 1 67 67 ASP HA H 67 4.609 4.609 4.736 -0.127 19510 6139 1 12 . 1 1 67 67 ASP CA C 67 55.601 55.601 55.844 -0.243 19510 6140 1 12 . 1 1 67 67 ASP CB C 67 39.106 39.106 41.476 -2.370 19510 6141 1 12 . 1 1 67 67 ASP H H 67 8.272 8.272 7.902 0.370 19510 6142 1 12 . 1 1 68 68 VAL N N 68 123.206 123.206 117.737 5.469 19510 6143 1 12 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.930 -0.113 19510 6144 1 12 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.058 0.657 19510 6145 1 12 . 1 1 68 68 VAL CB C 68 30.705 30.705 31.983 -1.278 19510 6146 1 12 . 1 1 68 68 VAL H H 68 8.045 8.045 7.843 0.202 19510 6147 1 12 . 1 1 69 69 PHE N N 69 120.600 120.600 117.696 2.904 19510 6148 1 12 . 1 1 69 69 PHE HA H 69 4.158 4.158 4.304 -0.146 19510 6149 1 12 . 1 1 69 69 PHE CA C 69 61.013 61.013 58.478 2.535 19510 6150 1 12 . 1 1 69 69 PHE CB C 69 37.455 37.455 37.619 -0.164 19510 6151 1 12 . 1 1 69 69 PHE H H 69 8.488 8.488 8.357 0.131 19510 6152 1 12 . 1 1 70 70 ARG N N 70 117.820 117.820 121.525 -3.705 19510 6153 1 12 . 1 1 70 70 ARG HA H 70 3.755 3.755 3.582 0.173 19510 6154 1 12 . 1 1 70 70 ARG C C 70 178.813 178.813 178.070 0.743 19510 6155 1 12 . 1 1 70 70 ARG CA C 70 58.184 58.184 59.603 -1.419 19510 6156 1 12 . 1 1 70 70 ARG CB C 70 28.899 28.899 29.894 -0.995 19510 6157 1 12 . 1 1 70 70 ARG H H 70 8.611 8.611 8.559 0.052 19510 6158 1 12 . 1 1 71 71 LYS N N 71 121.726 121.726 116.611 5.115 19510 6159 1 12 . 1 1 71 71 LYS HA H 71 4.253 4.253 4.133 0.120 19510 6160 1 12 . 1 1 71 71 LYS C C 71 177.020 177.020 178.401 -1.381 19510 6161 1 12 . 1 1 71 71 LYS CA C 71 58.490 58.490 57.718 0.772 19510 6162 1 12 . 1 1 71 71 LYS CB C 71 31.216 31.216 31.962 -0.746 19510 6163 1 12 . 1 1 71 71 LYS H H 71 7.686 7.686 7.849 -0.163 19510 6164 1 12 . 1 1 72 72 LEU N N 72 119.355 119.355 119.085 0.270 19510 6165 1 12 . 1 1 72 72 LEU HA H 72 4.051 4.051 4.436 -0.385 19510 6166 1 12 . 1 1 72 72 LEU C C 72 177.378 177.378 178.101 -0.723 19510 6167 1 12 . 1 1 72 72 LEU CA C 72 56.317 56.317 56.603 -0.286 19510 6168 1 12 . 1 1 72 72 LEU CB C 72 41.148 41.148 42.837 -1.689 19510 6169 1 12 . 1 1 72 72 LEU H H 72 8.215 8.215 7.840 0.375 19510 6170 1 12 . 1 1 73 73 ALA N N 73 121.106 121.106 121.458 -0.352 19510 6171 1 12 . 1 1 73 73 ALA HA H 73 3.767 3.767 3.784 -0.017 19510 6172 1 12 . 1 1 73 73 ALA C C 73 179.644 179.644 178.813 0.831 19510 6173 1 12 . 1 1 73 73 ALA CA C 73 53.263 53.263 54.937 -1.674 19510 6174 1 12 . 1 1 73 73 ALA CB C 73 15.930 15.930 18.035 -2.105 19510 6175 1 12 . 1 1 73 73 ALA H H 73 9.143 9.143 8.373 0.770 19510 6176 1 12 . 1 1 74 74 ALA N N 74 119.383 119.383 119.128 0.255 19510 6177 1 12 . 1 1 74 74 ALA HA H 74 4.384 4.384 4.004 0.380 19510 6178 1 12 . 1 1 74 74 ALA C C 74 179.752 179.752 180.050 -0.298 19510 6179 1 12 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.413 -0.889 19510 6180 1 12 . 1 1 74 74 ALA CB C 74 17.094 17.094 18.249 -1.155 19510 6181 1 12 . 1 1 74 74 ALA H H 74 7.403 7.403 7.713 -0.310 19510 6182 1 12 . 1 1 75 75 ASP N N 75 120.226 120.226 120.192 0.034 19510 6183 1 12 . 1 1 75 75 ASP HA H 75 4.523 4.523 4.489 0.034 19510 6184 1 12 . 1 1 75 75 ASP C C 75 177.704 177.704 177.369 0.335 19510 6185 1 12 . 1 1 75 75 ASP CA C 75 55.312 55.312 56.470 -1.158 19510 6186 1 12 . 1 1 75 75 ASP CB C 75 38.326 38.326 41.135 -2.809 19510 6187 1 12 . 1 1 75 75 ASP H H 75 8.536 8.536 7.800 0.736 19510 6188 1 12 . 1 1 76 76 LEU N N 76 115.468 115.468 118.345 -2.877 19510 6189 1 12 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.431 -0.039 19510 6190 1 12 . 1 1 76 76 LEU C C 76 174.790 174.790 174.977 -0.187 19510 6191 1 12 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.098 -0.474 19510 6192 1 12 . 1 1 76 76 LEU CB C 76 39.594 39.594 42.564 -2.970 19510 6193 1 12 . 1 1 76 76 LEU H H 76 8.612 8.612 8.058 0.554 19510 6194 1 12 . 1 1 77 77 GLU N N 77 124.725 124.725 120.941 3.784 19510 6195 1 12 . 1 1 77 77 GLU HA H 77 4.343 4.343 4.026 0.317 19510 6196 1 12 . 1 1 77 77 GLU C C 77 176.953 176.953 177.159 -0.206 19510 6197 1 12 . 1 1 77 77 GLU CA C 77 57.345 57.345 58.065 -0.720 19510 6198 1 12 . 1 1 77 77 GLU CB C 77 27.555 27.555 29.110 -1.555 19510 6199 1 12 . 1 1 77 77 GLU H H 77 7.158 7.158 7.123 0.035 19510 6200 1 12 . 1 1 78 78 GLY N N 78 118.105 118.105 114.322 3.783 19510 6201 1 12 . 1 1 78 78 GLY C C 78 173.075 173.075 174.841 -1.766 19510 6202 1 12 . 1 1 78 78 GLY CA C 78 44.269 44.269 45.392 -1.123 19510 6203 1 12 . 1 1 78 78 GLY H H 78 9.392 9.392 8.943 0.449 19510 6204 1 12 . 1 1 79 79 LYS N N 79 120.237 120.237 118.971 1.266 19510 6205 1 12 . 1 1 79 79 LYS HA H 79 4.663 4.663 4.571 0.092 19510 6206 1 12 . 1 1 79 79 LYS C C 79 175.050 175.050 174.712 0.338 19510 6207 1 12 . 1 1 79 79 LYS CA C 79 54.683 54.683 55.819 -1.136 19510 6208 1 12 . 1 1 79 79 LYS CB C 79 33.435 33.435 34.196 -0.761 19510 6209 1 12 . 1 1 79 79 LYS H H 79 8.809 8.809 8.463 0.346 19510 6210 1 12 . 1 1 80 80 ALA N N 80 121.135 121.135 121.371 -0.236 19510 6211 1 12 . 1 1 80 80 ALA HA H 80 4.893 4.893 4.748 0.145 19510 6212 1 12 . 1 1 80 80 ALA C C 80 174.051 174.051 174.542 -0.491 19510 6213 1 12 . 1 1 80 80 ALA CA C 80 50.289 50.289 51.425 -1.136 19510 6214 1 12 . 1 1 80 80 ALA CB C 80 20.483 20.483 21.589 -1.106 19510 6215 1 12 . 1 1 80 80 ALA H H 80 8.169 8.169 7.526 0.643 19510 6216 1 12 . 1 1 81 81 ASP N N 81 121.569 121.569 119.111 2.458 19510 6217 1 12 . 1 1 81 81 ASP HA H 81 4.898 4.898 4.994 -0.096 19510 6218 1 12 . 1 1 81 81 ASP CA C 81 50.397 50.397 53.071 -2.674 19510 6219 1 12 . 1 1 81 81 ASP CB C 81 40.401 40.401 43.785 -3.384 19510 6220 1 12 . 1 1 81 81 ASP H H 81 8.330 8.330 8.434 -0.104 19510 6221 1 12 . 1 1 82 82 GLU N N 82 119.843 119.843 121.476 -1.633 19510 6222 1 12 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.395 -0.210 19510 6223 1 12 . 1 1 82 82 GLU C C 82 177.350 177.350 179.110 -1.760 19510 6224 1 12 . 1 1 82 82 GLU CA C 82 59.676 59.676 60.143 -0.467 19510 6225 1 12 . 1 1 82 82 GLU CB C 82 27.893 27.893 30.154 -2.261 19510 6226 1 12 . 1 1 82 82 GLU H H 82 8.923 8.923 8.820 0.103 19510 6227 1 12 . 1 1 83 83 GLU N N 83 119.348 119.348 118.664 0.684 19510 6228 1 12 . 1 1 83 83 GLU HA H 83 4.177 4.177 4.285 -0.108 19510 6229 1 12 . 1 1 83 83 GLU C C 83 178.794 178.794 178.903 -0.109 19510 6230 1 12 . 1 1 83 83 GLU CA C 83 59.082 59.082 59.251 -0.168 19510 6231 1 12 . 1 1 83 83 GLU CB C 83 28.879 28.879 29.399 -0.520 19510 6232 1 12 . 1 1 83 83 GLU H H 83 8.832 8.832 8.743 0.089 19510 6233 1 12 . 1 1 84 84 THR N N 84 119.892 119.892 115.882 4.010 19510 6234 1 12 . 1 1 84 84 THR HA H 84 4.140 4.140 4.033 0.107 19510 6235 1 12 . 1 1 84 84 THR C C 84 176.165 176.165 176.525 -0.360 19510 6236 1 12 . 1 1 84 84 THR CA C 84 65.721 65.721 67.001 -1.280 19510 6237 1 12 . 1 1 84 84 THR CB C 84 66.751 66.751 68.532 -1.781 19510 6238 1 12 . 1 1 84 84 THR H H 84 8.576 8.576 8.112 0.464 19510 6239 1 12 . 1 1 85 85 ILE N N 85 123.655 123.655 120.851 2.804 19510 6240 1 12 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.696 0.123 19510 6241 1 12 . 1 1 85 85 ILE C C 85 174.809 174.809 177.274 -2.465 19510 6242 1 12 . 1 1 85 85 ILE CA C 85 64.891 64.891 65.476 -0.585 19510 6243 1 12 . 1 1 85 85 ILE CB C 85 37.797 37.797 37.910 -0.112 19510 6244 1 12 . 1 1 85 85 ILE H H 85 8.572 8.572 8.444 0.128 19510 6245 1 12 . 1 1 86 86 ARG N N 86 119.670 119.670 119.705 -0.035 19510 6246 1 12 . 1 1 86 86 ARG HA H 86 4.186 4.186 3.307 0.879 19510 6247 1 12 . 1 1 86 86 ARG CA C 86 58.766 58.766 58.929 -0.163 19510 6248 1 12 . 1 1 86 86 ARG CB C 86 28.165 28.165 29.240 -1.075 19510 6249 1 12 . 1 1 86 86 ARG H H 86 9.092 9.092 7.532 1.560 19510 6250 1 12 . 1 1 87 87 ALA N N 87 121.431 121.431 121.690 -0.259 19510 6251 1 12 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.003 0.304 19510 6252 1 12 . 1 1 87 87 ALA CA C 87 53.558 53.558 54.507 -0.949 19510 6253 1 12 . 1 1 87 87 ALA CB C 87 16.382 16.382 18.137 -1.755 19510 6254 1 12 . 1 1 87 87 ALA H H 87 8.242 8.242 7.827 0.415 19510 6255 1 12 . 1 1 88 88 LYS N N 88 122.742 122.742 119.098 3.644 19510 6256 1 12 . 1 1 88 88 LYS HA H 88 4.011 4.011 3.728 0.283 19510 6257 1 12 . 1 1 88 88 LYS CA C 88 55.172 55.172 59.103 -3.931 19510 6258 1 12 . 1 1 88 88 LYS CB C 88 29.078 29.078 31.558 -2.479 19510 6259 1 12 . 1 1 88 88 LYS H H 88 8.182 8.182 7.661 0.521 19510 6260 1 12 . 1 1 89 89 MET N N 89 118.686 118.686 115.486 3.200 19510 6261 1 12 . 1 1 89 89 MET HA H 89 3.854 3.854 4.014 -0.160 19510 6262 1 12 . 1 1 89 89 MET CA C 89 59.175 59.175 58.593 0.582 19510 6263 1 12 . 1 1 89 89 MET CB C 89 31.697 31.697 32.622 -0.925 19510 6264 1 12 . 1 1 89 89 MET H H 89 8.504 8.504 7.279 1.225 19510 6265 1 12 . 1 1 90 90 VAL N N 90 120.987 120.987 116.994 3.993 19510 6266 1 12 . 1 1 90 90 VAL HA H 90 3.853 3.853 3.739 0.114 19510 6267 1 12 . 1 1 90 90 VAL C C 90 178.017 178.017 178.576 -0.559 19510 6268 1 12 . 1 1 90 90 VAL CA C 90 64.868 64.868 64.613 0.255 19510 6269 1 12 . 1 1 90 90 VAL CB C 90 31.054 31.054 31.562 -0.508 19510 6270 1 12 . 1 1 90 90 VAL H H 90 7.573 7.573 7.293 0.280 19510 6271 1 12 . 1 1 91 91 GLU N N 91 124.236 124.236 121.465 2.771 19510 6272 1 12 . 1 1 91 91 GLU HA H 91 3.802 3.802 4.017 -0.215 19510 6273 1 12 . 1 1 91 91 GLU C C 91 177.612 177.612 178.107 -0.495 19510 6274 1 12 . 1 1 91 91 GLU CA C 91 58.414 58.414 59.459 -1.045 19510 6275 1 12 . 1 1 91 91 GLU CB C 91 30.606 30.606 29.642 0.964 19510 6276 1 12 . 1 1 91 91 GLU H H 91 8.494 8.494 7.912 0.582 19510 6277 1 12 . 1 1 92 92 LEU N N 92 114.818 114.818 112.934 1.884 19510 6278 1 12 . 1 1 92 92 LEU HA H 92 4.336 4.336 4.888 -0.552 19510 6279 1 12 . 1 1 92 92 LEU C C 92 177.928 177.928 176.579 1.349 19510 6280 1 12 . 1 1 92 92 LEU CA C 92 56.351 56.351 53.838 2.513 19510 6281 1 12 . 1 1 92 92 LEU CB C 92 39.780 39.780 40.795 -1.015 19510 6282 1 12 . 1 1 92 92 LEU H H 92 8.833 8.833 7.301 1.532 19510 6283 1 12 . 1 1 93 93 ARG N N 93 123.398 123.398 120.562 2.836 19510 6284 1 12 . 1 1 93 93 ARG HA H 93 3.997 3.997 4.070 -0.073 19510 6285 1 12 . 1 1 93 93 ARG C C 93 176.350 176.350 177.375 -1.025 19510 6286 1 12 . 1 1 93 93 ARG CA C 93 58.848 58.848 58.546 0.302 19510 6287 1 12 . 1 1 93 93 ARG CB C 93 28.592 28.592 29.211 -0.619 19510 6288 1 12 . 1 1 93 93 ARG H H 93 7.746 7.746 7.329 0.417 19510 6289 1 12 . 1 1 94 94 ALA N N 94 122.480 122.480 120.692 1.788 19510 6290 1 12 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.387 -0.126 19510 6291 1 12 . 1 1 94 94 ALA C C 94 179.805 179.805 179.051 0.754 19510 6292 1 12 . 1 1 94 94 ALA CA C 94 54.529 54.529 54.279 0.249 19510 6293 1 12 . 1 1 94 94 ALA CB C 94 16.423 16.423 18.179 -1.756 19510 6294 1 12 . 1 1 94 94 ALA H H 94 7.322 7.322 8.492 -1.170 19510 6295 1 12 . 1 1 95 95 THR N N 95 116.936 116.936 116.269 0.667 19510 6296 1 12 . 1 1 95 95 THR HA H 95 4.045 4.045 3.868 0.177 19510 6297 1 12 . 1 1 95 95 THR C C 95 175.007 175.007 176.526 -1.519 19510 6298 1 12 . 1 1 95 95 THR CA C 95 64.868 64.868 66.416 -1.548 19510 6299 1 12 . 1 1 95 95 THR CB C 95 67.633 67.633 67.976 -0.343 19510 6300 1 12 . 1 1 95 95 THR H H 95 8.275 8.275 8.078 0.197 19510 6301 1 12 . 1 1 96 96 ALA N N 96 123.969 123.969 122.686 1.283 19510 6302 1 12 . 1 1 96 96 ALA HA H 96 3.904 3.904 4.047 -0.143 19510 6303 1 12 . 1 1 96 96 ALA C C 96 178.184 178.184 179.326 -1.142 19510 6304 1 12 . 1 1 96 96 ALA CA C 96 54.098 54.098 54.961 -0.863 19510 6305 1 12 . 1 1 96 96 ALA CB C 96 18.118 18.118 18.647 -0.529 19510 6306 1 12 . 1 1 96 96 ALA H H 96 8.688 8.688 7.575 1.113 19510 6307 1 12 . 1 1 97 97 ARG N N 97 117.393 117.393 117.567 -0.174 19510 6308 1 12 . 1 1 97 97 ARG HA H 97 3.857 3.857 4.141 -0.284 19510 6309 1 12 . 1 1 97 97 ARG C C 97 176.770 176.770 178.439 -1.669 19510 6310 1 12 . 1 1 97 97 ARG CA C 97 58.669 58.669 58.923 -0.254 19510 6311 1 12 . 1 1 97 97 ARG CB C 97 28.932 28.932 29.801 -0.869 19510 6312 1 12 . 1 1 97 97 ARG H H 97 8.073 8.073 7.831 0.242 19510 6313 1 12 . 1 1 98 98 GLU N N 98 118.029 118.029 120.555 -2.526 19510 6314 1 12 . 1 1 98 98 GLU HA H 98 4.180 4.180 3.882 0.298 19510 6315 1 12 . 1 1 98 98 GLU C C 98 178.865 178.865 179.048 -0.183 19510 6316 1 12 . 1 1 98 98 GLU CA C 98 57.867 57.867 59.549 -1.682 19510 6317 1 12 . 1 1 98 98 GLU CB C 98 27.704 27.704 29.320 -1.616 19510 6318 1 12 . 1 1 98 98 GLU H H 98 7.896 7.896 7.976 -0.080 19510 6319 1 12 . 1 1 99 99 GLN N N 99 119.735 119.735 117.118 2.617 19510 6320 1 12 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.026 0.159 19510 6321 1 12 . 1 1 99 99 GLN C C 99 178.146 178.146 178.181 -0.035 19510 6322 1 12 . 1 1 99 99 GLN CA C 99 57.748 57.748 58.587 -0.839 19510 6323 1 12 . 1 1 99 99 GLN CB C 99 27.529 27.529 28.494 -0.965 19510 6324 1 12 . 1 1 99 99 GLN H H 99 8.320 8.320 7.586 0.734 19510 6325 1 12 . 1 1 100 100 ILE N N 100 119.676 119.676 116.275 3.401 19510 6326 1 12 . 1 1 100 100 ILE HA H 100 3.993 3.993 4.007 -0.014 19510 6327 1 12 . 1 1 100 100 ILE C C 100 178.315 178.315 178.745 -0.430 19510 6328 1 12 . 1 1 100 100 ILE CA C 100 60.935 60.935 62.812 -1.877 19510 6329 1 12 . 1 1 100 100 ILE CB C 100 34.935 34.935 37.460 -2.525 19510 6330 1 12 . 1 1 100 100 ILE H H 100 8.398 8.398 7.472 0.926 19510 6331 1 12 . 1 1 101 101 ILE N N 101 120.600 120.600 119.618 0.982 19510 6332 1 12 . 1 1 101 101 ILE HA H 101 4.027 4.027 3.333 0.694 19510 6333 1 12 . 1 1 101 101 ILE C C 101 177.006 177.006 178.012 -1.006 19510 6334 1 12 . 1 1 101 101 ILE CA C 101 62.382 62.382 64.282 -1.900 19510 6335 1 12 . 1 1 101 101 ILE CB C 101 36.195 36.195 37.090 -0.895 19510 6336 1 12 . 1 1 101 101 ILE H H 101 8.350 8.350 7.643 0.707 19510 6337 1 12 . 1 1 102 102 SER N N 102 116.172 116.172 114.501 1.671 19510 6338 1 12 . 1 1 102 102 SER HA H 102 4.589 4.589 4.331 0.258 19510 6339 1 12 . 1 1 102 102 SER C C 102 173.845 173.845 174.839 -0.994 19510 6340 1 12 . 1 1 102 102 SER CA C 102 58.735 58.735 60.379 -1.644 19510 6341 1 12 . 1 1 102 102 SER CB C 102 62.254 62.254 63.522 -1.268 19510 6342 1 12 . 1 1 102 102 SER H H 102 7.896 7.896 7.983 -0.087 19510 6343 1 12 . 1 1 103 103 GLU N N 103 122.642 122.642 119.987 2.655 19510 6344 1 12 . 1 1 103 103 GLU HA H 103 4.473 4.473 4.422 0.051 19510 6345 1 12 . 1 1 103 103 GLU C C 103 175.095 175.095 175.622 -0.527 19510 6346 1 12 . 1 1 103 103 GLU CA C 103 55.006 55.006 55.454 -0.448 19510 6347 1 12 . 1 1 103 103 GLU CB C 103 28.770 28.770 30.593 -1.823 19510 6348 1 12 . 1 1 103 103 GLU H H 103 7.780 7.780 7.634 0.146 19510 6349 1 13 . 1 1 4 4 PHE N N 4 122.548 122.548 116.734 5.814 19510 6350 1 13 . 1 1 4 4 PHE HA H 4 4.680 4.680 4.773 -0.093 19510 6351 1 13 . 1 1 4 4 PHE CA C 4 57.087 57.087 57.344 -0.257 19510 6352 1 13 . 1 1 4 4 PHE CB C 4 38.126 38.126 40.479 -2.353 19510 6353 1 13 . 1 1 4 4 PHE H H 4 8.328 8.328 7.615 0.713 19510 6354 1 13 . 1 1 7 7 ARG N N 7 121.962 121.962 119.182 2.780 19510 6355 1 13 . 1 1 7 7 ARG HA H 7 4.265 4.265 4.400 -0.135 19510 6356 1 13 . 1 1 7 7 ARG C C 7 176.683 176.683 176.102 0.581 19510 6357 1 13 . 1 1 7 7 ARG CA C 7 56.502 56.502 55.634 0.868 19510 6358 1 13 . 1 1 7 7 ARG CB C 7 28.840 28.840 30.917 -2.077 19510 6359 1 13 . 1 1 7 7 ARG H H 7 8.339 8.339 8.182 0.157 19510 6360 1 13 . 1 1 8 8 GLU N N 8 121.095 121.095 120.898 0.197 19510 6361 1 13 . 1 1 8 8 GLU HA H 8 4.233 4.233 4.301 -0.068 19510 6362 1 13 . 1 1 8 8 GLU C C 8 176.964 176.964 177.334 -0.370 19510 6363 1 13 . 1 1 8 8 GLU CA C 8 57.517 57.517 56.594 0.923 19510 6364 1 13 . 1 1 8 8 GLU CB C 8 27.744 27.744 30.065 -2.321 19510 6365 1 13 . 1 1 8 8 GLU H H 8 8.384 8.384 8.633 -0.249 19510 6366 1 13 . 1 1 9 9 ARG N N 9 121.320 121.320 117.779 3.541 19510 6367 1 13 . 1 1 9 9 ARG HA H 9 4.310 4.310 4.416 -0.106 19510 6368 1 13 . 1 1 9 9 ARG C C 9 176.563 176.563 174.364 2.199 19510 6369 1 13 . 1 1 9 9 ARG CA C 9 56.233 56.233 55.973 0.260 19510 6370 1 13 . 1 1 9 9 ARG CB C 9 28.977 28.977 31.148 -2.171 19510 6371 1 13 . 1 1 9 9 ARG H H 9 8.291 8.291 8.051 0.240 19510 6372 1 13 . 1 1 10 10 ALA N N 10 123.900 123.900 122.453 1.447 19510 6373 1 13 . 1 1 10 10 ALA HA H 10 4.333 4.333 3.916 0.417 19510 6374 1 13 . 1 1 10 10 ALA C C 10 178.129 178.129 178.264 -0.135 19510 6375 1 13 . 1 1 10 10 ALA CA C 10 52.348 52.348 52.171 0.177 19510 6376 1 13 . 1 1 10 10 ALA CB C 10 17.396 17.396 18.115 -0.719 19510 6377 1 13 . 1 1 10 10 ALA H H 10 8.225 8.225 8.084 0.141 19510 6378 1 13 . 1 1 11 11 HIS N N 11 117.829 117.829 115.658 2.171 19510 6379 1 13 . 1 1 11 11 HIS HA H 11 4.740 4.740 4.333 0.407 19510 6380 1 13 . 1 1 11 11 HIS C C 11 175.013 175.013 174.551 0.462 19510 6381 1 13 . 1 1 11 11 HIS CA C 11 55.041 55.041 55.452 -0.411 19510 6382 1 13 . 1 1 11 11 HIS CB C 11 27.391 27.391 28.649 -1.258 19510 6383 1 13 . 1 1 11 11 HIS H H 11 8.500 8.500 8.539 -0.039 19510 6384 1 13 . 1 1 12 12 GLU N N 12 121.398 121.398 120.735 0.663 19510 6385 1 13 . 1 1 12 12 GLU HA H 12 4.326 4.326 4.291 0.035 19510 6386 1 13 . 1 1 12 12 GLU C C 12 176.808 176.808 176.721 0.087 19510 6387 1 13 . 1 1 12 12 GLU CA C 12 56.517 56.517 56.264 0.253 19510 6388 1 13 . 1 1 12 12 GLU CB C 12 28.289 28.289 29.302 -1.013 19510 6389 1 13 . 1 1 12 12 GLU H H 12 8.456 8.456 7.785 0.670 19510 6390 1 13 . 1 1 13 13 ALA N N 13 124.231 124.231 127.730 -3.499 19510 6391 1 13 . 1 1 13 13 ALA HA H 13 4.309 4.309 3.919 0.390 19510 6392 1 13 . 1 1 13 13 ALA C C 13 178.197 178.197 177.878 0.319 19510 6393 1 13 . 1 1 13 13 ALA CA C 13 53.511 53.511 54.338 -0.827 19510 6394 1 13 . 1 1 13 13 ALA CB C 13 17.174 17.174 17.692 -0.518 19510 6395 1 13 . 1 1 13 13 ALA H H 13 8.444 8.444 9.021 -0.577 19510 6396 1 13 . 1 1 14 14 LYS N N 14 120.159 120.159 117.859 2.300 19510 6397 1 13 . 1 1 14 14 LYS HA H 14 4.257 4.257 4.248 0.009 19510 6398 1 13 . 1 1 14 14 LYS C C 14 176.757 176.757 177.052 -0.295 19510 6399 1 13 . 1 1 14 14 LYS CA C 14 56.461 56.461 57.437 -0.976 19510 6400 1 13 . 1 1 14 14 LYS CB C 14 31.191 31.191 32.204 -1.013 19510 6401 1 13 . 1 1 14 14 LYS H H 14 8.136 8.136 7.501 0.635 19510 6402 1 13 . 1 1 15 15 PHE N N 15 118.588 118.588 117.829 0.759 19510 6403 1 13 . 1 1 15 15 PHE HA H 15 4.527 4.527 4.438 0.089 19510 6404 1 13 . 1 1 15 15 PHE C C 15 175.635 175.635 174.929 0.706 19510 6405 1 13 . 1 1 15 15 PHE CA C 15 57.992 57.992 57.527 0.465 19510 6406 1 13 . 1 1 15 15 PHE CB C 15 37.908 37.908 38.827 -0.919 19510 6407 1 13 . 1 1 15 15 PHE H H 15 7.998 7.998 8.352 -0.354 19510 6408 1 13 . 1 1 16 16 ALA N N 16 122.847 122.847 120.885 1.962 19510 6409 1 13 . 1 1 16 16 ALA HA H 16 4.317 4.317 4.548 -0.231 19510 6410 1 13 . 1 1 16 16 ALA C C 16 177.641 177.641 177.390 0.251 19510 6411 1 13 . 1 1 16 16 ALA CA C 16 52.317 52.317 51.199 1.118 19510 6412 1 13 . 1 1 16 16 ALA CB C 16 17.378 17.378 20.446 -3.068 19510 6413 1 13 . 1 1 16 16 ALA H H 16 8.172 8.172 7.321 0.851 19510 6414 1 13 . 1 1 17 17 HIS N N 17 115.904 115.904 116.623 -0.719 19510 6415 1 13 . 1 1 17 17 HIS HA H 17 4.839 4.839 4.272 0.567 19510 6416 1 13 . 1 1 17 17 HIS CA C 17 54.594 54.594 58.598 -4.004 19510 6417 1 13 . 1 1 17 17 HIS CB C 17 27.532 27.532 29.080 -1.548 19510 6418 1 13 . 1 1 17 17 HIS H H 17 8.218 8.218 8.734 -0.516 19510 6419 1 13 . 1 1 18 18 ASP N N 18 121.432 121.432 119.361 2.071 19510 6420 1 13 . 1 1 18 18 ASP HA H 18 4.758 4.758 4.844 -0.086 19510 6421 1 13 . 1 1 18 18 ASP CA C 18 53.004 53.004 53.669 -0.665 19510 6422 1 13 . 1 1 18 18 ASP CB C 18 39.571 39.571 42.062 -2.491 19510 6423 1 13 . 1 1 18 18 ASP H H 18 8.103 8.103 8.172 -0.069 19510 6424 1 13 . 1 1 19 19 ALA N N 19 126.628 126.628 120.966 5.662 19510 6425 1 13 . 1 1 19 19 ALA HA H 19 4.303 4.303 4.502 -0.199 19510 6426 1 13 . 1 1 19 19 ALA CA C 19 53.177 53.177 53.368 -0.191 19510 6427 1 13 . 1 1 19 19 ALA CB C 19 17.231 17.231 19.679 -2.448 19510 6428 1 13 . 1 1 19 19 ALA H H 19 8.588 8.588 8.270 0.318 19510 6429 1 13 . 1 1 20 20 GLU N N 20 119.826 119.826 120.767 -0.941 19510 6430 1 13 . 1 1 20 20 GLU HA H 20 4.314 4.314 4.127 0.187 19510 6431 1 13 . 1 1 20 20 GLU CA C 20 57.403 57.403 59.817 -2.414 19510 6432 1 13 . 1 1 20 20 GLU CB C 20 27.780 27.780 29.192 -1.412 19510 6433 1 13 . 1 1 20 20 GLU H H 20 8.391 8.391 8.657 -0.266 19510 6434 1 13 . 1 1 21 21 LEU N N 21 122.268 122.268 117.355 4.913 19510 6435 1 13 . 1 1 21 21 LEU HA H 21 4.179 4.179 4.338 -0.159 19510 6436 1 13 . 1 1 21 21 LEU CA C 21 56.531 56.531 57.372 -0.841 19510 6437 1 13 . 1 1 21 21 LEU CB C 21 40.255 40.255 41.164 -0.909 19510 6438 1 13 . 1 1 21 21 LEU H H 21 8.134 8.134 8.337 -0.203 19510 6439 1 13 . 1 1 22 22 ASN N N 22 118.005 118.005 118.170 -0.165 19510 6440 1 13 . 1 1 22 22 ASN HA H 22 4.665 4.665 4.115 0.550 19510 6441 1 13 . 1 1 22 22 ASN CA C 22 55.493 55.493 55.314 0.179 19510 6442 1 13 . 1 1 22 22 ASN CB C 22 37.084 37.084 38.203 -1.119 19510 6443 1 13 . 1 1 22 22 ASN H H 22 8.456 8.456 7.695 0.761 19510 6444 1 13 . 1 1 23 23 PHE N N 23 121.379 121.379 121.987 -0.608 19510 6445 1 13 . 1 1 23 23 PHE HA H 23 4.509 4.509 4.116 0.393 19510 6446 1 13 . 1 1 23 23 PHE CA C 23 59.496 59.496 60.210 -0.714 19510 6447 1 13 . 1 1 23 23 PHE CB C 23 37.380 37.380 38.869 -1.489 19510 6448 1 13 . 1 1 23 23 PHE H H 23 8.453 8.453 8.957 -0.504 19510 6449 1 13 . 1 1 24 24 LYS N N 24 120.674 120.674 119.059 1.615 19510 6450 1 13 . 1 1 24 24 LYS HA H 24 4.191 4.191 4.009 0.182 19510 6451 1 13 . 1 1 24 24 LYS C C 24 179.309 179.309 178.269 1.040 19510 6452 1 13 . 1 1 24 24 LYS CA C 24 58.132 58.132 59.384 -1.252 19510 6453 1 13 . 1 1 24 24 LYS CB C 24 31.828 31.828 32.253 -0.425 19510 6454 1 13 . 1 1 24 24 LYS H H 24 8.504 8.504 7.632 0.872 19510 6455 1 13 . 1 1 25 25 ALA N N 25 123.584 123.584 120.398 3.186 19510 6456 1 13 . 1 1 25 25 ALA HA H 25 4.146 4.146 4.157 -0.011 19510 6457 1 13 . 1 1 25 25 ALA C C 25 178.243 178.243 179.153 -0.910 19510 6458 1 13 . 1 1 25 25 ALA CA C 25 53.760 53.760 54.031 -0.271 19510 6459 1 13 . 1 1 25 25 ALA CB C 25 16.827 16.827 18.241 -1.414 19510 6460 1 13 . 1 1 25 25 ALA H H 25 8.841 8.841 7.211 1.630 19510 6461 1 13 . 1 1 26 26 GLU N N 26 122.239 122.239 119.304 2.935 19510 6462 1 13 . 1 1 26 26 GLU HA H 26 4.083 4.083 4.061 0.022 19510 6463 1 13 . 1 1 26 26 GLU C C 26 177.265 177.265 177.282 -0.017 19510 6464 1 13 . 1 1 26 26 GLU CA C 26 57.850 57.850 58.630 -0.780 19510 6465 1 13 . 1 1 26 26 GLU CB C 26 28.891 28.891 30.080 -1.189 19510 6466 1 13 . 1 1 26 26 GLU H H 26 8.482 8.482 8.161 0.321 19510 6467 1 13 . 1 1 27 27 ALA N N 27 122.124 122.124 121.021 1.103 19510 6468 1 13 . 1 1 27 27 ALA HA H 27 4.352 4.352 4.628 -0.276 19510 6469 1 13 . 1 1 27 27 ALA C C 27 180.552 180.552 176.500 4.052 19510 6470 1 13 . 1 1 27 27 ALA CA C 27 53.519 53.519 51.471 2.048 19510 6471 1 13 . 1 1 27 27 ALA CB C 27 16.410 16.410 18.076 -1.666 19510 6472 1 13 . 1 1 27 27 ALA H H 27 8.043 8.043 7.701 0.342 19510 6473 1 13 . 1 1 28 28 ARG N N 28 120.375 120.375 118.602 1.773 19510 6474 1 13 . 1 1 28 28 ARG HA H 28 4.441 4.441 4.496 -0.055 19510 6475 1 13 . 1 1 28 28 ARG C C 28 176.309 176.309 176.805 -0.496 19510 6476 1 13 . 1 1 28 28 ARG CA C 28 55.369 55.369 56.001 -0.632 19510 6477 1 13 . 1 1 28 28 ARG CB C 28 28.480 28.480 30.643 -2.163 19510 6478 1 13 . 1 1 28 28 ARG H H 28 8.101 8.101 7.669 0.432 19510 6479 1 13 . 1 1 29 29 ARG N N 29 122.734 122.734 120.676 2.058 19510 6480 1 13 . 1 1 29 29 ARG HA H 29 3.743 3.743 4.011 -0.268 19510 6481 1 13 . 1 1 29 29 ARG CA C 29 58.672 58.672 58.404 0.269 19510 6482 1 13 . 1 1 29 29 ARG CB C 29 29.051 29.051 29.218 -0.167 19510 6483 1 13 . 1 1 29 29 ARG H H 29 8.901 8.901 7.705 1.196 19510 6484 1 13 . 1 1 30 30 ASN N N 30 119.961 119.961 115.087 4.874 19510 6485 1 13 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.831 -0.197 19510 6486 1 13 . 1 1 30 30 ASN C C 30 175.888 175.888 177.125 -1.237 19510 6487 1 13 . 1 1 30 30 ASN CA C 30 55.147 55.147 53.765 1.382 19510 6488 1 13 . 1 1 30 30 ASN CB C 30 35.418 35.418 39.113 -3.695 19510 6489 1 13 . 1 1 30 30 ASN H H 30 8.429 8.429 8.359 0.070 19510 6490 1 13 . 1 1 31 31 ARG N N 31 123.400 123.400 120.920 2.480 19510 6491 1 13 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.095 0.187 19510 6492 1 13 . 1 1 31 31 ARG C C 31 177.804 177.804 177.365 0.439 19510 6493 1 13 . 1 1 31 31 ARG CA C 31 58.132 58.132 58.253 -0.121 19510 6494 1 13 . 1 1 31 31 ARG CB C 31 27.636 27.636 29.375 -1.739 19510 6495 1 13 . 1 1 31 31 ARG H H 31 8.052 8.052 7.683 0.369 19510 6496 1 13 . 1 1 32 32 LEU N N 32 119.872 119.872 114.586 5.286 19510 6497 1 13 . 1 1 32 32 LEU HA H 32 4.318 4.318 4.886 -0.568 19510 6498 1 13 . 1 1 32 32 LEU C C 32 180.602 180.602 177.870 2.732 19510 6499 1 13 . 1 1 32 32 LEU CA C 32 56.471 56.471 54.739 1.732 19510 6500 1 13 . 1 1 32 32 LEU CB C 32 40.558 40.558 40.905 -0.347 19510 6501 1 13 . 1 1 32 32 LEU H H 32 8.752 8.752 7.458 1.294 19510 6502 1 13 . 1 1 33 33 LEU N N 33 124.468 124.468 120.964 3.504 19510 6503 1 13 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.348 -0.047 19510 6504 1 13 . 1 1 33 33 LEU C C 33 177.992 177.992 178.376 -0.384 19510 6505 1 13 . 1 1 33 33 LEU CA C 33 56.482 56.482 57.026 -0.545 19510 6506 1 13 . 1 1 33 33 LEU CB C 33 41.626 41.626 41.902 -0.276 19510 6507 1 13 . 1 1 33 33 LEU H H 33 9.273 9.273 8.218 1.055 19510 6508 1 13 . 1 1 34 34 GLY N N 34 109.045 109.045 105.660 3.385 19510 6509 1 13 . 1 1 34 34 GLY C C 34 174.530 174.530 176.002 -1.472 19510 6510 1 13 . 1 1 34 34 GLY CA C 34 45.447 45.447 47.144 -1.697 19510 6511 1 13 . 1 1 34 34 GLY H H 34 8.907 8.907 8.336 0.571 19510 6512 1 13 . 1 1 35 35 GLU N N 35 123.414 123.414 121.338 2.076 19510 6513 1 13 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.065 0.112 19510 6514 1 13 . 1 1 35 35 GLU C C 35 178.866 178.866 178.835 0.031 19510 6515 1 13 . 1 1 35 35 GLU CA C 35 59.564 59.564 58.595 0.969 19510 6516 1 13 . 1 1 35 35 GLU CB C 35 27.692 27.692 29.410 -1.718 19510 6517 1 13 . 1 1 35 35 GLU H H 35 8.935 8.935 7.997 0.938 19510 6518 1 13 . 1 1 36 36 TRP N N 36 124.774 124.774 121.990 2.784 19510 6519 1 13 . 1 1 36 36 TRP HA H 36 4.604 4.604 4.399 0.205 19510 6520 1 13 . 1 1 36 36 TRP C C 36 177.618 177.618 177.587 0.031 19510 6521 1 13 . 1 1 36 36 TRP CA C 36 58.867 58.867 60.047 -1.180 19510 6522 1 13 . 1 1 36 36 TRP CB C 36 26.021 26.021 29.564 -3.543 19510 6523 1 13 . 1 1 36 36 TRP H H 36 8.531 8.531 7.303 1.228 19510 6524 1 13 . 1 1 37 37 ALA N N 37 123.777 123.777 120.604 3.173 19510 6525 1 13 . 1 1 37 37 ALA HA H 37 3.403 3.403 3.188 0.215 19510 6526 1 13 . 1 1 37 37 ALA C C 37 177.427 177.427 179.386 -1.959 19510 6527 1 13 . 1 1 37 37 ALA CA C 37 53.148 53.148 54.186 -1.038 19510 6528 1 13 . 1 1 37 37 ALA CB C 37 18.440 18.440 17.641 0.799 19510 6529 1 13 . 1 1 37 37 ALA H H 37 9.141 9.141 7.753 1.388 19510 6530 1 13 . 1 1 38 38 ALA N N 38 119.259 119.259 121.657 -2.398 19510 6531 1 13 . 1 1 38 38 ALA HA H 38 3.523 3.523 3.627 -0.104 19510 6532 1 13 . 1 1 38 38 ALA C C 38 178.670 178.670 179.272 -0.602 19510 6533 1 13 . 1 1 38 38 ALA CA C 38 53.882 53.882 55.373 -1.491 19510 6534 1 13 . 1 1 38 38 ALA CB C 38 17.083 17.083 18.115 -1.032 19510 6535 1 13 . 1 1 38 38 ALA H H 38 8.788 8.788 8.455 0.333 19510 6536 1 13 . 1 1 39 39 GLY N N 39 104.011 104.011 107.070 -3.059 19510 6537 1 13 . 1 1 39 39 GLY C C 39 177.232 177.232 176.847 0.385 19510 6538 1 13 . 1 1 39 39 GLY CA C 39 45.519 45.519 47.029 -1.510 19510 6539 1 13 . 1 1 39 39 GLY H H 39 7.756 7.756 7.793 -0.037 19510 6540 1 13 . 1 1 40 40 LEU N N 40 125.340 125.340 122.354 2.986 19510 6541 1 13 . 1 1 40 40 LEU HA H 40 4.111 4.111 3.887 0.224 19510 6542 1 13 . 1 1 40 40 LEU C C 40 178.203 178.203 178.202 0.001 19510 6543 1 13 . 1 1 40 40 LEU CA C 40 56.123 56.123 57.410 -1.287 19510 6544 1 13 . 1 1 40 40 LEU CB C 40 40.764 40.764 41.680 -0.916 19510 6545 1 13 . 1 1 40 40 LEU H H 40 7.511 7.511 7.235 0.276 19510 6546 1 13 . 1 1 41 41 LEU N N 41 117.234 117.234 113.089 4.145 19510 6547 1 13 . 1 1 41 41 LEU HA H 41 4.139 4.139 4.065 0.074 19510 6548 1 13 . 1 1 41 41 LEU C C 41 176.119 176.119 177.561 -1.442 19510 6549 1 13 . 1 1 41 41 LEU CA C 41 53.213 53.213 54.597 -1.384 19510 6550 1 13 . 1 1 41 41 LEU CB C 41 41.092 41.092 41.869 -0.777 19510 6551 1 13 . 1 1 41 41 LEU H H 41 7.692 7.692 7.701 -0.009 19510 6552 1 13 . 1 1 42 42 GLY N N 42 109.595 109.595 106.511 3.084 19510 6553 1 13 . 1 1 42 42 GLY C C 42 173.775 173.775 174.363 -0.588 19510 6554 1 13 . 1 1 42 42 GLY CA C 42 44.409 44.409 45.473 -1.064 19510 6555 1 13 . 1 1 42 42 GLY H H 42 7.896 7.896 7.922 -0.026 19510 6556 1 13 . 1 1 43 43 LYS N N 43 119.965 119.965 121.556 -1.591 19510 6557 1 13 . 1 1 43 43 LYS HA H 43 4.737 4.737 4.131 0.606 19510 6558 1 13 . 1 1 43 43 LYS C C 43 175.246 175.246 175.434 -0.188 19510 6559 1 13 . 1 1 43 43 LYS CA C 43 54.189 54.189 57.228 -3.039 19510 6560 1 13 . 1 1 43 43 LYS CB C 43 33.208 33.208 32.509 0.699 19510 6561 1 13 . 1 1 43 43 LYS H H 43 8.104 8.104 7.951 0.153 19510 6562 1 13 . 1 1 44 44 THR N N 44 114.199 114.199 112.161 2.038 19510 6563 1 13 . 1 1 44 44 THR HA H 44 4.773 4.773 4.478 0.295 19510 6564 1 13 . 1 1 44 44 THR C C 44 174.392 174.392 175.491 -1.099 19510 6565 1 13 . 1 1 44 44 THR CA C 44 58.348 58.348 59.910 -1.562 19510 6566 1 13 . 1 1 44 44 THR CB C 44 70.921 70.921 72.305 -1.384 19510 6567 1 13 . 1 1 44 44 THR H H 44 8.958 8.958 7.937 1.021 19510 6568 1 13 . 1 1 45 45 GLY N N 45 109.657 109.657 110.468 -0.811 19510 6569 1 13 . 1 1 45 45 GLY C C 45 175.330 175.330 175.138 0.192 19510 6570 1 13 . 1 1 45 45 GLY CA C 45 45.315 45.315 46.648 -1.333 19510 6571 1 13 . 1 1 45 45 GLY H H 45 8.885 8.885 8.652 0.233 19510 6572 1 13 . 1 1 46 46 ASP N N 46 128.403 128.403 123.654 4.749 19510 6573 1 13 . 1 1 46 46 ASP HA H 46 4.561 4.561 4.442 0.119 19510 6574 1 13 . 1 1 46 46 ASP C C 46 177.343 177.343 177.757 -0.414 19510 6575 1 13 . 1 1 46 46 ASP CA C 46 55.829 55.829 56.364 -0.535 19510 6576 1 13 . 1 1 46 46 ASP CB C 46 39.039 39.039 40.735 -1.696 19510 6577 1 13 . 1 1 46 46 ASP H H 46 9.318 9.318 8.575 0.743 19510 6578 1 13 . 1 1 47 47 ASP N N 47 121.367 121.367 119.393 1.974 19510 6579 1 13 . 1 1 47 47 ASP HA H 47 4.668 4.668 4.471 0.197 19510 6580 1 13 . 1 1 47 47 ASP CA C 47 55.545 55.545 57.357 -1.812 19510 6581 1 13 . 1 1 47 47 ASP CB C 47 39.415 39.415 40.908 -1.493 19510 6582 1 13 . 1 1 47 47 ASP H H 47 8.521 8.521 7.917 0.604 19510 6583 1 13 . 1 1 48 48 ALA N N 48 123.210 123.210 122.656 0.554 19510 6584 1 13 . 1 1 48 48 ALA HA H 48 3.940 3.940 4.015 -0.075 19510 6585 1 13 . 1 1 48 48 ALA CA C 48 53.331 53.331 55.089 -1.758 19510 6586 1 13 . 1 1 48 48 ALA CB C 48 16.036 16.036 18.715 -2.679 19510 6587 1 13 . 1 1 48 48 ALA H H 48 7.262 7.262 7.477 -0.215 19510 6588 1 13 . 1 1 49 49 ARG N N 49 120.088 120.088 119.752 0.336 19510 6589 1 13 . 1 1 49 49 ARG HA H 49 4.126 4.126 3.957 0.169 19510 6590 1 13 . 1 1 49 49 ARG CA C 49 57.876 57.876 59.706 -1.830 19510 6591 1 13 . 1 1 49 49 ARG CB C 49 28.774 28.774 30.311 -1.537 19510 6592 1 13 . 1 1 49 49 ARG H H 49 7.805 7.805 8.487 -0.682 19510 6593 1 13 . 1 1 50 50 ALA N N 50 121.061 121.061 120.416 0.645 19510 6594 1 13 . 1 1 50 50 ALA HA H 50 4.218 4.218 4.149 0.069 19510 6595 1 13 . 1 1 50 50 ALA CA C 50 53.399 53.399 54.737 -1.338 19510 6596 1 13 . 1 1 50 50 ALA CB C 50 16.672 16.672 18.209 -1.537 19510 6597 1 13 . 1 1 50 50 ALA H H 50 8.387 8.387 8.192 0.195 19510 6598 1 13 . 1 1 51 51 TYR N N 51 119.264 119.264 119.986 -0.722 19510 6599 1 13 . 1 1 51 51 TYR HA H 51 4.231 4.231 4.036 0.195 19510 6600 1 13 . 1 1 51 51 TYR C C 51 178.335 178.335 177.000 1.335 19510 6601 1 13 . 1 1 51 51 TYR CA C 51 60.493 60.493 60.857 -0.364 19510 6602 1 13 . 1 1 51 51 TYR CB C 51 37.094 37.094 38.599 -1.505 19510 6603 1 13 . 1 1 51 51 TYR H H 51 8.095 8.095 7.748 0.347 19510 6604 1 13 . 1 1 52 52 ALA N N 52 124.002 124.002 121.377 2.625 19510 6605 1 13 . 1 1 52 52 ALA HA H 52 3.899 3.899 3.915 -0.016 19510 6606 1 13 . 1 1 52 52 ALA C C 52 178.352 178.352 179.260 -0.908 19510 6607 1 13 . 1 1 52 52 ALA CA C 52 54.394 54.394 54.767 -0.373 19510 6608 1 13 . 1 1 52 52 ALA CB C 52 16.369 16.369 18.647 -2.278 19510 6609 1 13 . 1 1 52 52 ALA H H 52 8.651 8.651 8.115 0.536 19510 6610 1 13 . 1 1 53 53 LEU N N 53 116.593 116.593 115.359 1.234 19510 6611 1 13 . 1 1 53 53 LEU HA H 53 4.301 4.301 4.029 0.272 19510 6612 1 13 . 1 1 53 53 LEU C C 53 177.452 177.452 177.893 -0.441 19510 6613 1 13 . 1 1 53 53 LEU CA C 53 55.412 55.412 56.942 -1.530 19510 6614 1 13 . 1 1 53 53 LEU CB C 53 40.510 40.510 41.992 -1.482 19510 6615 1 13 . 1 1 53 53 LEU H H 53 7.664 7.664 8.386 -0.722 19510 6616 1 13 . 1 1 54 54 THR N N 54 110.998 110.998 110.219 0.779 19510 6617 1 13 . 1 1 54 54 THR HA H 54 4.401 4.401 4.367 0.034 19510 6618 1 13 . 1 1 54 54 THR CA C 54 61.997 61.997 61.983 0.014 19510 6619 1 13 . 1 1 54 54 THR CB C 54 67.988 67.988 71.085 -3.097 19510 6620 1 13 . 1 1 54 54 THR H H 54 7.962 7.962 7.461 0.501 19510 6621 1 13 . 1 1 55 55 VAL N N 55 123.907 123.907 122.205 1.702 19510 6622 1 13 . 1 1 55 55 VAL HA H 55 3.869 3.869 3.532 0.337 19510 6623 1 13 . 1 1 55 55 VAL CA C 55 62.373 62.373 63.562 -1.189 19510 6624 1 13 . 1 1 55 55 VAL CB C 55 29.037 29.037 30.858 -1.821 19510 6625 1 13 . 1 1 55 55 VAL H H 55 7.217 7.217 7.845 -0.628 19510 6626 1 13 . 1 1 56 56 VAL N N 56 119.176 119.176 115.727 3.449 19510 6627 1 13 . 1 1 56 56 VAL HA H 56 4.300 4.300 4.430 -0.130 19510 6628 1 13 . 1 1 56 56 VAL CA C 56 55.363 55.363 61.731 -6.368 19510 6629 1 13 . 1 1 56 56 VAL CB C 56 32.466 32.466 32.178 0.288 19510 6630 1 13 . 1 1 56 56 VAL H H 56 7.474 7.474 7.371 0.103 19510 6631 1 13 . 1 1 57 57 THR N N 57 114.951 114.951 120.034 -5.083 19510 6632 1 13 . 1 1 57 57 THR HA H 57 4.509 4.509 4.551 -0.042 19510 6633 1 13 . 1 1 57 57 THR CA C 57 60.698 60.698 60.401 0.297 19510 6634 1 13 . 1 1 57 57 THR CB C 57 68.177 68.177 69.467 -1.290 19510 6635 1 13 . 1 1 57 57 THR H H 57 7.992 7.992 8.613 -0.621 19510 6636 1 13 . 1 1 58 58 SER N N 58 119.820 119.820 118.991 0.829 19510 6637 1 13 . 1 1 58 58 SER HA H 58 4.554 4.554 4.836 -0.282 19510 6638 1 13 . 1 1 58 58 SER CA C 58 57.409 57.409 57.660 -0.251 19510 6639 1 13 . 1 1 58 58 SER CB C 58 62.399 62.399 62.822 -0.423 19510 6640 1 13 . 1 1 58 58 SER H H 58 8.473 8.473 8.593 -0.120 19510 6641 1 13 . 1 1 59 59 ASP N N 59 122.199 122.199 123.137 -0.938 19510 6642 1 13 . 1 1 59 59 ASP HA H 59 4.762 4.762 4.477 0.285 19510 6643 1 13 . 1 1 59 59 ASP C C 59 175.459 175.459 175.914 -0.455 19510 6644 1 13 . 1 1 59 59 ASP CA C 59 52.469 52.469 54.467 -1.998 19510 6645 1 13 . 1 1 59 59 ASP CB C 59 39.455 39.455 40.198 -0.743 19510 6646 1 13 . 1 1 59 59 ASP H H 59 8.285 8.285 8.070 0.215 19510 6647 1 13 . 1 1 60 60 PHE HA H 60 4.182 4.182 4.055 0.127 19510 6648 1 13 . 1 1 60 60 PHE CA C 60 59.253 59.253 59.024 0.229 19510 6649 1 13 . 1 1 60 60 PHE CB C 60 35.163 35.163 36.982 -1.819 19510 6650 1 13 . 1 1 63 63 PRO HA H 63 4.606 4.606 4.436 0.170 19510 6651 1 13 . 1 1 63 63 PRO CA C 63 55.716 55.716 63.365 -7.649 19510 6652 1 13 . 1 1 63 63 PRO CB C 63 30.732 30.732 30.099 0.633 19510 6653 1 13 . 1 1 64 64 GLY N N 64 110.382 110.382 109.706 0.676 19510 6654 1 13 . 1 1 64 64 GLY CA C 64 44.280 44.280 45.792 -1.512 19510 6655 1 13 . 1 1 64 64 GLY H H 64 8.706 8.706 8.354 0.352 19510 6656 1 13 . 1 1 65 65 ASP N N 65 121.977 121.977 121.017 0.960 19510 6657 1 13 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.879 -0.216 19510 6658 1 13 . 1 1 65 65 ASP CA C 65 55.765 55.765 53.547 2.218 19510 6659 1 13 . 1 1 65 65 ASP CB C 65 39.579 39.579 41.669 -2.090 19510 6660 1 13 . 1 1 65 65 ASP H H 65 8.661 8.661 7.918 0.743 19510 6661 1 13 . 1 1 66 66 GLU N N 66 120.065 120.065 119.837 0.228 19510 6662 1 13 . 1 1 66 66 GLU HA H 66 4.437 4.437 3.705 0.732 19510 6663 1 13 . 1 1 66 66 GLU CA C 66 57.520 57.520 57.771 -0.251 19510 6664 1 13 . 1 1 66 66 GLU CB C 66 27.598 27.598 29.449 -1.851 19510 6665 1 13 . 1 1 66 66 GLU H H 66 8.643 8.643 8.622 0.021 19510 6666 1 13 . 1 1 67 67 ASP N N 67 120.033 120.033 120.121 -0.088 19510 6667 1 13 . 1 1 67 67 ASP HA H 67 4.609 4.609 4.429 0.180 19510 6668 1 13 . 1 1 67 67 ASP CA C 67 55.601 55.601 56.606 -1.006 19510 6669 1 13 . 1 1 67 67 ASP CB C 67 39.106 39.106 40.190 -1.084 19510 6670 1 13 . 1 1 67 67 ASP H H 67 8.272 8.272 8.284 -0.012 19510 6671 1 13 . 1 1 68 68 VAL N N 68 123.206 123.206 118.925 4.281 19510 6672 1 13 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.632 0.185 19510 6673 1 13 . 1 1 68 68 VAL CA C 68 65.715 65.715 66.751 -1.036 19510 6674 1 13 . 1 1 68 68 VAL CB C 68 30.705 30.705 31.308 -0.603 19510 6675 1 13 . 1 1 68 68 VAL H H 68 8.045 8.045 7.270 0.775 19510 6676 1 13 . 1 1 69 69 PHE N N 69 120.600 120.600 120.713 -0.113 19510 6677 1 13 . 1 1 69 69 PHE HA H 69 4.158 4.158 4.127 0.031 19510 6678 1 13 . 1 1 69 69 PHE CA C 69 61.013 61.013 61.133 -0.120 19510 6679 1 13 . 1 1 69 69 PHE CB C 69 37.455 37.455 38.807 -1.352 19510 6680 1 13 . 1 1 69 69 PHE H H 69 8.488 8.488 7.915 0.573 19510 6681 1 13 . 1 1 70 70 ARG N N 70 117.820 117.820 120.189 -2.369 19510 6682 1 13 . 1 1 70 70 ARG HA H 70 3.755 3.755 3.710 0.045 19510 6683 1 13 . 1 1 70 70 ARG C C 70 178.813 178.813 178.219 0.594 19510 6684 1 13 . 1 1 70 70 ARG CA C 70 58.184 58.184 59.253 -1.069 19510 6685 1 13 . 1 1 70 70 ARG CB C 70 28.899 28.899 29.759 -0.860 19510 6686 1 13 . 1 1 70 70 ARG H H 70 8.611 8.611 7.871 0.740 19510 6687 1 13 . 1 1 71 71 LYS N N 71 121.726 121.726 119.348 2.378 19510 6688 1 13 . 1 1 71 71 LYS HA H 71 4.253 4.253 4.025 0.228 19510 6689 1 13 . 1 1 71 71 LYS C C 71 177.020 177.020 179.063 -2.043 19510 6690 1 13 . 1 1 71 71 LYS CA C 71 58.490 58.490 59.179 -0.689 19510 6691 1 13 . 1 1 71 71 LYS CB C 71 31.216 31.216 31.836 -0.620 19510 6692 1 13 . 1 1 71 71 LYS H H 71 7.686 7.686 8.039 -0.353 19510 6693 1 13 . 1 1 72 72 LEU N N 72 119.355 119.355 120.306 -0.951 19510 6694 1 13 . 1 1 72 72 LEU HA H 72 4.051 4.051 3.847 0.204 19510 6695 1 13 . 1 1 72 72 LEU C C 72 177.378 177.378 178.917 -1.539 19510 6696 1 13 . 1 1 72 72 LEU CA C 72 56.317 56.317 58.450 -2.133 19510 6697 1 13 . 1 1 72 72 LEU CB C 72 41.148 41.148 41.849 -0.701 19510 6698 1 13 . 1 1 72 72 LEU H H 72 8.215 8.215 8.246 -0.031 19510 6699 1 13 . 1 1 73 73 ALA N N 73 121.106 121.106 120.545 0.561 19510 6700 1 13 . 1 1 73 73 ALA HA H 73 3.767 3.767 3.824 -0.057 19510 6701 1 13 . 1 1 73 73 ALA C C 73 179.644 179.644 178.821 0.823 19510 6702 1 13 . 1 1 73 73 ALA CA C 73 53.263 53.263 54.658 -1.395 19510 6703 1 13 . 1 1 73 73 ALA CB C 73 15.930 15.930 18.012 -2.082 19510 6704 1 13 . 1 1 73 73 ALA H H 73 9.143 9.143 8.105 1.038 19510 6705 1 13 . 1 1 74 74 ALA N N 74 119.383 119.383 118.649 0.734 19510 6706 1 13 . 1 1 74 74 ALA HA H 74 4.384 4.384 3.971 0.413 19510 6707 1 13 . 1 1 74 74 ALA C C 74 179.752 179.752 179.210 0.542 19510 6708 1 13 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.323 -0.799 19510 6709 1 13 . 1 1 74 74 ALA CB C 74 17.094 17.094 18.319 -1.225 19510 6710 1 13 . 1 1 74 74 ALA H H 74 7.403 7.403 7.600 -0.197 19510 6711 1 13 . 1 1 75 75 ASP N N 75 120.226 120.226 118.683 1.543 19510 6712 1 13 . 1 1 75 75 ASP HA H 75 4.523 4.523 4.561 -0.038 19510 6713 1 13 . 1 1 75 75 ASP C C 75 177.704 177.704 177.168 0.536 19510 6714 1 13 . 1 1 75 75 ASP CA C 75 55.312 55.312 56.630 -1.319 19510 6715 1 13 . 1 1 75 75 ASP CB C 75 38.326 38.326 42.296 -3.970 19510 6716 1 13 . 1 1 75 75 ASP H H 75 8.536 8.536 7.825 0.711 19510 6717 1 13 . 1 1 76 76 LEU N N 76 115.468 115.468 119.248 -3.780 19510 6718 1 13 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.285 0.107 19510 6719 1 13 . 1 1 76 76 LEU C C 76 174.790 174.790 175.473 -0.683 19510 6720 1 13 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.481 -0.857 19510 6721 1 13 . 1 1 76 76 LEU CB C 76 39.594 39.594 40.572 -0.977 19510 6722 1 13 . 1 1 76 76 LEU H H 76 8.612 8.612 8.096 0.516 19510 6723 1 13 . 1 1 77 77 GLU N N 77 124.725 124.725 122.116 2.609 19510 6724 1 13 . 1 1 77 77 GLU HA H 77 4.343 4.343 4.044 0.299 19510 6725 1 13 . 1 1 77 77 GLU C C 77 176.953 176.953 177.397 -0.444 19510 6726 1 13 . 1 1 77 77 GLU CA C 77 57.345 57.345 57.561 -0.216 19510 6727 1 13 . 1 1 77 77 GLU CB C 77 27.555 27.555 28.803 -1.248 19510 6728 1 13 . 1 1 77 77 GLU H H 77 7.158 7.158 7.216 -0.058 19510 6729 1 13 . 1 1 78 78 GLY N N 78 118.105 118.105 114.084 4.021 19510 6730 1 13 . 1 1 78 78 GLY C C 78 173.075 173.075 174.760 -1.685 19510 6731 1 13 . 1 1 78 78 GLY CA C 78 44.269 44.269 45.692 -1.423 19510 6732 1 13 . 1 1 78 78 GLY H H 78 9.392 9.392 8.561 0.831 19510 6733 1 13 . 1 1 79 79 LYS N N 79 120.237 120.237 118.570 1.667 19510 6734 1 13 . 1 1 79 79 LYS HA H 79 4.663 4.663 4.559 0.104 19510 6735 1 13 . 1 1 79 79 LYS C C 79 175.050 175.050 174.727 0.323 19510 6736 1 13 . 1 1 79 79 LYS CA C 79 54.683 54.683 55.773 -1.090 19510 6737 1 13 . 1 1 79 79 LYS CB C 79 33.435 33.435 34.225 -0.790 19510 6738 1 13 . 1 1 79 79 LYS H H 79 8.809 8.809 8.334 0.475 19510 6739 1 13 . 1 1 80 80 ALA N N 80 121.135 121.135 121.141 -0.006 19510 6740 1 13 . 1 1 80 80 ALA HA H 80 4.893 4.893 4.733 0.160 19510 6741 1 13 . 1 1 80 80 ALA C C 80 174.051 174.051 174.546 -0.495 19510 6742 1 13 . 1 1 80 80 ALA CA C 80 50.289 50.289 51.618 -1.329 19510 6743 1 13 . 1 1 80 80 ALA CB C 80 20.483 20.483 21.348 -0.865 19510 6744 1 13 . 1 1 80 80 ALA H H 80 8.169 8.169 7.500 0.669 19510 6745 1 13 . 1 1 81 81 ASP N N 81 121.569 121.569 118.950 2.619 19510 6746 1 13 . 1 1 81 81 ASP HA H 81 4.898 4.898 5.016 -0.118 19510 6747 1 13 . 1 1 81 81 ASP CA C 81 50.397 50.397 52.565 -2.168 19510 6748 1 13 . 1 1 81 81 ASP CB C 81 40.401 40.401 43.031 -2.630 19510 6749 1 13 . 1 1 81 81 ASP H H 81 8.330 8.330 8.391 -0.061 19510 6750 1 13 . 1 1 82 82 GLU N N 82 119.843 119.843 119.715 0.128 19510 6751 1 13 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.533 -0.348 19510 6752 1 13 . 1 1 82 82 GLU C C 82 177.350 177.350 177.735 -0.385 19510 6753 1 13 . 1 1 82 82 GLU CA C 82 59.676 59.676 59.513 0.163 19510 6754 1 13 . 1 1 82 82 GLU CB C 82 27.893 27.893 30.067 -2.174 19510 6755 1 13 . 1 1 82 82 GLU H H 82 8.923 8.923 8.780 0.143 19510 6756 1 13 . 1 1 83 83 GLU N N 83 119.348 119.348 116.587 2.761 19510 6757 1 13 . 1 1 83 83 GLU HA H 83 4.177 4.177 4.430 -0.253 19510 6758 1 13 . 1 1 83 83 GLU C C 83 178.794 178.794 178.008 0.786 19510 6759 1 13 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.127 0.955 19510 6760 1 13 . 1 1 83 83 GLU CB C 83 28.879 28.879 29.709 -0.830 19510 6761 1 13 . 1 1 83 83 GLU H H 83 8.832 8.832 8.520 0.312 19510 6762 1 13 . 1 1 84 84 THR N N 84 119.892 119.892 117.389 2.503 19510 6763 1 13 . 1 1 84 84 THR HA H 84 4.140 4.140 4.088 0.052 19510 6764 1 13 . 1 1 84 84 THR C C 84 176.165 176.165 176.568 -0.403 19510 6765 1 13 . 1 1 84 84 THR CA C 84 65.721 65.721 66.518 -0.797 19510 6766 1 13 . 1 1 84 84 THR CB C 84 66.751 66.751 68.716 -1.966 19510 6767 1 13 . 1 1 84 84 THR H H 84 8.576 8.576 8.063 0.513 19510 6768 1 13 . 1 1 85 85 ILE N N 85 123.655 123.655 119.645 4.010 19510 6769 1 13 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.851 -0.032 19510 6770 1 13 . 1 1 85 85 ILE C C 85 174.809 174.809 177.135 -2.326 19510 6771 1 13 . 1 1 85 85 ILE CA C 85 64.891 64.891 65.627 -0.736 19510 6772 1 13 . 1 1 85 85 ILE CB C 85 37.797 37.797 38.099 -0.302 19510 6773 1 13 . 1 1 85 85 ILE H H 85 8.572 8.572 7.682 0.890 19510 6774 1 13 . 1 1 86 86 ARG N N 86 119.670 119.670 120.457 -0.787 19510 6775 1 13 . 1 1 86 86 ARG HA H 86 4.186 4.186 4.139 0.047 19510 6776 1 13 . 1 1 86 86 ARG CA C 86 58.766 58.766 58.932 -0.166 19510 6777 1 13 . 1 1 86 86 ARG CB C 86 28.165 28.165 28.810 -0.645 19510 6778 1 13 . 1 1 86 86 ARG H H 86 9.092 9.092 8.359 0.733 19510 6779 1 13 . 1 1 87 87 ALA N N 87 121.431 121.431 121.323 0.108 19510 6780 1 13 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.110 0.197 19510 6781 1 13 . 1 1 87 87 ALA CA C 87 53.558 53.558 54.475 -0.917 19510 6782 1 13 . 1 1 87 87 ALA CB C 87 16.382 16.382 18.264 -1.882 19510 6783 1 13 . 1 1 87 87 ALA H H 87 8.242 8.242 8.147 0.095 19510 6784 1 13 . 1 1 88 88 LYS N N 88 122.742 122.742 119.578 3.164 19510 6785 1 13 . 1 1 88 88 LYS HA H 88 4.011 4.011 3.908 0.103 19510 6786 1 13 . 1 1 88 88 LYS CA C 88 55.172 55.172 58.907 -3.735 19510 6787 1 13 . 1 1 88 88 LYS CB C 88 29.078 29.078 31.891 -2.813 19510 6788 1 13 . 1 1 88 88 LYS H H 88 8.182 8.182 7.667 0.515 19510 6789 1 13 . 1 1 89 89 MET N N 89 118.686 118.686 116.451 2.235 19510 6790 1 13 . 1 1 89 89 MET HA H 89 3.854 3.854 4.236 -0.382 19510 6791 1 13 . 1 1 89 89 MET CA C 89 59.175 59.175 58.432 0.743 19510 6792 1 13 . 1 1 89 89 MET CB C 89 31.697 31.697 31.785 -0.088 19510 6793 1 13 . 1 1 89 89 MET H H 89 8.504 8.504 7.430 1.074 19510 6794 1 13 . 1 1 90 90 VAL N N 90 120.987 120.987 120.582 0.405 19510 6795 1 13 . 1 1 90 90 VAL HA H 90 3.853 3.853 3.691 0.162 19510 6796 1 13 . 1 1 90 90 VAL C C 90 178.017 178.017 178.098 -0.081 19510 6797 1 13 . 1 1 90 90 VAL CA C 90 64.868 64.868 66.226 -1.358 19510 6798 1 13 . 1 1 90 90 VAL CB C 90 31.054 31.054 31.136 -0.082 19510 6799 1 13 . 1 1 90 90 VAL H H 90 7.573 7.573 7.715 -0.142 19510 6800 1 13 . 1 1 91 91 GLU N N 91 124.236 124.236 120.114 4.122 19510 6801 1 13 . 1 1 91 91 GLU HA H 91 3.802 3.802 4.078 -0.276 19510 6802 1 13 . 1 1 91 91 GLU C C 91 177.612 177.612 178.253 -0.641 19510 6803 1 13 . 1 1 91 91 GLU CA C 91 58.414 58.414 58.963 -0.549 19510 6804 1 13 . 1 1 91 91 GLU CB C 91 30.606 30.606 29.686 0.919 19510 6805 1 13 . 1 1 91 91 GLU H H 91 8.494 8.494 8.307 0.187 19510 6806 1 13 . 1 1 92 92 LEU N N 92 114.818 114.818 118.654 -3.836 19510 6807 1 13 . 1 1 92 92 LEU HA H 92 4.336 4.336 4.401 -0.065 19510 6808 1 13 . 1 1 92 92 LEU C C 92 177.928 177.928 177.907 0.021 19510 6809 1 13 . 1 1 92 92 LEU CA C 92 56.351 56.351 54.728 1.623 19510 6810 1 13 . 1 1 92 92 LEU CB C 92 39.780 39.780 41.134 -1.354 19510 6811 1 13 . 1 1 92 92 LEU H H 92 8.833 8.833 7.352 1.481 19510 6812 1 13 . 1 1 93 93 ARG N N 93 123.398 123.398 120.724 2.674 19510 6813 1 13 . 1 1 93 93 ARG HA H 93 3.997 3.997 3.835 0.162 19510 6814 1 13 . 1 1 93 93 ARG C C 93 176.350 176.350 178.213 -1.863 19510 6815 1 13 . 1 1 93 93 ARG CA C 93 58.848 58.848 59.987 -1.139 19510 6816 1 13 . 1 1 93 93 ARG CB C 93 28.592 28.592 29.656 -1.064 19510 6817 1 13 . 1 1 93 93 ARG H H 93 7.746 7.746 7.462 0.284 19510 6818 1 13 . 1 1 94 94 ALA N N 94 122.480 122.480 120.604 1.876 19510 6819 1 13 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.059 0.202 19510 6820 1 13 . 1 1 94 94 ALA C C 94 179.805 179.805 179.437 0.368 19510 6821 1 13 . 1 1 94 94 ALA CA C 94 54.529 54.529 55.016 -0.487 19510 6822 1 13 . 1 1 94 94 ALA CB C 94 16.423 16.423 17.949 -1.526 19510 6823 1 13 . 1 1 94 94 ALA H H 94 7.322 7.322 8.175 -0.853 19510 6824 1 13 . 1 1 95 95 THR N N 95 116.936 116.936 115.693 1.243 19510 6825 1 13 . 1 1 95 95 THR HA H 95 4.045 4.045 3.810 0.235 19510 6826 1 13 . 1 1 95 95 THR C C 95 175.007 175.007 176.640 -1.633 19510 6827 1 13 . 1 1 95 95 THR CA C 95 64.868 64.868 66.878 -2.010 19510 6828 1 13 . 1 1 95 95 THR CB C 95 67.633 67.633 68.387 -0.754 19510 6829 1 13 . 1 1 95 95 THR H H 95 8.275 8.275 8.073 0.202 19510 6830 1 13 . 1 1 96 96 ALA N N 96 123.969 123.969 122.956 1.013 19510 6831 1 13 . 1 1 96 96 ALA HA H 96 3.904 3.904 3.994 -0.090 19510 6832 1 13 . 1 1 96 96 ALA C C 96 178.184 178.184 178.968 -0.784 19510 6833 1 13 . 1 1 96 96 ALA CA C 96 54.098 54.098 55.124 -1.026 19510 6834 1 13 . 1 1 96 96 ALA CB C 96 18.118 18.118 18.396 -0.278 19510 6835 1 13 . 1 1 96 96 ALA H H 96 8.688 8.688 8.547 0.141 19510 6836 1 13 . 1 1 97 97 ARG N N 97 117.393 117.393 119.350 -1.957 19510 6837 1 13 . 1 1 97 97 ARG HA H 97 3.857 3.857 4.078 -0.221 19510 6838 1 13 . 1 1 97 97 ARG C C 97 176.770 176.770 178.434 -1.664 19510 6839 1 13 . 1 1 97 97 ARG CA C 97 58.669 58.669 59.512 -0.843 19510 6840 1 13 . 1 1 97 97 ARG CB C 97 28.932 28.932 30.150 -1.218 19510 6841 1 13 . 1 1 97 97 ARG H H 97 8.073 8.073 7.785 0.288 19510 6842 1 13 . 1 1 98 98 GLU N N 98 118.029 118.029 119.006 -0.977 19510 6843 1 13 . 1 1 98 98 GLU HA H 98 4.180 4.180 4.001 0.179 19510 6844 1 13 . 1 1 98 98 GLU C C 98 178.865 178.865 179.101 -0.236 19510 6845 1 13 . 1 1 98 98 GLU CA C 98 57.867 57.867 59.140 -1.273 19510 6846 1 13 . 1 1 98 98 GLU CB C 98 27.704 27.704 29.392 -1.688 19510 6847 1 13 . 1 1 98 98 GLU H H 98 7.896 7.896 7.758 0.138 19510 6848 1 13 . 1 1 99 99 GLN N N 99 119.735 119.735 118.541 1.194 19510 6849 1 13 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.020 0.165 19510 6850 1 13 . 1 1 99 99 GLN C C 99 178.146 178.146 178.888 -0.742 19510 6851 1 13 . 1 1 99 99 GLN CA C 99 57.748 57.748 59.071 -1.323 19510 6852 1 13 . 1 1 99 99 GLN CB C 99 27.529 27.529 28.544 -1.015 19510 6853 1 13 . 1 1 99 99 GLN H H 99 8.320 8.320 8.288 0.032 19510 6854 1 13 . 1 1 100 100 ILE N N 100 119.676 119.676 119.235 0.441 19510 6855 1 13 . 1 1 100 100 ILE HA H 100 3.993 3.993 3.910 0.083 19510 6856 1 13 . 1 1 100 100 ILE C C 100 178.315 178.315 178.938 -0.623 19510 6857 1 13 . 1 1 100 100 ILE CA C 100 60.935 60.935 64.039 -3.104 19510 6858 1 13 . 1 1 100 100 ILE CB C 100 34.935 34.935 37.374 -2.439 19510 6859 1 13 . 1 1 100 100 ILE H H 100 8.398 8.398 7.597 0.801 19510 6860 1 13 . 1 1 101 101 ILE N N 101 120.600 120.600 117.059 3.541 19510 6861 1 13 . 1 1 101 101 ILE HA H 101 4.027 4.027 3.869 0.158 19510 6862 1 13 . 1 1 101 101 ILE C C 101 177.006 177.006 177.049 -0.043 19510 6863 1 13 . 1 1 101 101 ILE CA C 101 62.382 62.382 64.102 -1.720 19510 6864 1 13 . 1 1 101 101 ILE CB C 101 36.195 36.195 37.381 -1.186 19510 6865 1 13 . 1 1 101 101 ILE H H 101 8.350 8.350 7.468 0.882 19510 6866 1 13 . 1 1 102 102 SER N N 102 116.172 116.172 112.567 3.605 19510 6867 1 13 . 1 1 102 102 SER HA H 102 4.589 4.589 4.626 -0.037 19510 6868 1 13 . 1 1 102 102 SER C C 102 173.845 173.845 174.587 -0.742 19510 6869 1 13 . 1 1 102 102 SER CA C 102 58.735 58.735 57.485 1.250 19510 6870 1 13 . 1 1 102 102 SER CB C 102 62.254 62.254 63.374 -1.120 19510 6871 1 13 . 1 1 102 102 SER H H 102 7.896 7.896 7.655 0.241 19510 6872 1 13 . 1 1 103 103 GLU N N 103 122.642 122.642 120.458 2.184 19510 6873 1 13 . 1 1 103 103 GLU HA H 103 4.473 4.473 4.456 0.017 19510 6874 1 13 . 1 1 103 103 GLU C C 103 175.095 175.095 175.956 -0.861 19510 6875 1 13 . 1 1 103 103 GLU CA C 103 55.006 55.006 55.808 -0.802 19510 6876 1 13 . 1 1 103 103 GLU CB C 103 28.770 28.770 30.703 -1.933 19510 6877 1 13 . 1 1 103 103 GLU H H 103 7.780 7.780 7.731 0.049 19510 6878 1 14 . 1 1 4 4 PHE N N 4 122.548 122.548 124.970 -2.422 19510 6879 1 14 . 1 1 4 4 PHE HA H 4 4.680 4.680 4.734 -0.054 19510 6880 1 14 . 1 1 4 4 PHE CA C 4 57.087 57.087 57.055 0.032 19510 6881 1 14 . 1 1 4 4 PHE CB C 4 38.126 38.126 41.444 -3.318 19510 6882 1 14 . 1 1 4 4 PHE H H 4 8.328 8.328 8.227 0.101 19510 6883 1 14 . 1 1 7 7 ARG N N 7 121.962 121.962 119.895 2.067 19510 6884 1 14 . 1 1 7 7 ARG HA H 7 4.265 4.265 4.367 -0.102 19510 6885 1 14 . 1 1 7 7 ARG C C 7 176.683 176.683 176.694 -0.011 19510 6886 1 14 . 1 1 7 7 ARG CA C 7 56.502 56.502 56.468 0.034 19510 6887 1 14 . 1 1 7 7 ARG CB C 7 28.840 28.840 30.874 -2.034 19510 6888 1 14 . 1 1 7 7 ARG H H 7 8.339 8.339 8.312 0.027 19510 6889 1 14 . 1 1 8 8 GLU N N 8 121.095 121.095 123.082 -1.987 19510 6890 1 14 . 1 1 8 8 GLU HA H 8 4.233 4.233 4.314 -0.081 19510 6891 1 14 . 1 1 8 8 GLU C C 8 176.964 176.964 177.100 -0.136 19510 6892 1 14 . 1 1 8 8 GLU CA C 8 57.517 57.517 57.842 -0.325 19510 6893 1 14 . 1 1 8 8 GLU CB C 8 27.744 27.744 30.297 -2.553 19510 6894 1 14 . 1 1 8 8 GLU H H 8 8.384 8.384 8.649 -0.265 19510 6895 1 14 . 1 1 9 9 ARG N N 9 121.320 121.320 118.519 2.801 19510 6896 1 14 . 1 1 9 9 ARG HA H 9 4.310 4.310 4.440 -0.130 19510 6897 1 14 . 1 1 9 9 ARG C C 9 176.563 176.563 174.711 1.852 19510 6898 1 14 . 1 1 9 9 ARG CA C 9 56.233 56.233 56.769 -0.536 19510 6899 1 14 . 1 1 9 9 ARG CB C 9 28.977 28.977 31.805 -2.828 19510 6900 1 14 . 1 1 9 9 ARG H H 9 8.291 8.291 8.326 -0.035 19510 6901 1 14 . 1 1 10 10 ALA N N 10 123.900 123.900 121.843 2.057 19510 6902 1 14 . 1 1 10 10 ALA HA H 10 4.333 4.333 4.582 -0.249 19510 6903 1 14 . 1 1 10 10 ALA C C 10 178.129 178.129 177.426 0.703 19510 6904 1 14 . 1 1 10 10 ALA CA C 10 52.348 52.348 52.219 0.129 19510 6905 1 14 . 1 1 10 10 ALA CB C 10 17.396 17.396 19.014 -1.618 19510 6906 1 14 . 1 1 10 10 ALA H H 10 8.225 8.225 8.109 0.116 19510 6907 1 14 . 1 1 11 11 HIS N N 11 117.829 117.829 120.423 -2.594 19510 6908 1 14 . 1 1 11 11 HIS HA H 11 4.740 4.740 4.629 0.111 19510 6909 1 14 . 1 1 11 11 HIS C C 11 175.013 175.013 175.188 -0.175 19510 6910 1 14 . 1 1 11 11 HIS CA C 11 55.041 55.041 55.447 -0.406 19510 6911 1 14 . 1 1 11 11 HIS CB C 11 27.391 27.391 28.057 -0.666 19510 6912 1 14 . 1 1 11 11 HIS H H 11 8.500 8.500 8.286 0.214 19510 6913 1 14 . 1 1 12 12 GLU N N 12 121.398 121.398 121.442 -0.044 19510 6914 1 14 . 1 1 12 12 GLU HA H 12 4.326 4.326 4.077 0.249 19510 6915 1 14 . 1 1 12 12 GLU C C 12 176.808 176.808 178.010 -1.202 19510 6916 1 14 . 1 1 12 12 GLU CA C 12 56.517 56.517 58.074 -1.557 19510 6917 1 14 . 1 1 12 12 GLU CB C 12 28.289 28.289 29.194 -0.905 19510 6918 1 14 . 1 1 12 12 GLU H H 12 8.456 8.456 7.893 0.563 19510 6919 1 14 . 1 1 13 13 ALA N N 13 124.231 124.231 122.852 1.379 19510 6920 1 14 . 1 1 13 13 ALA HA H 13 4.309 4.309 4.317 -0.008 19510 6921 1 14 . 1 1 13 13 ALA C C 13 178.197 178.197 179.685 -1.488 19510 6922 1 14 . 1 1 13 13 ALA CA C 13 53.511 53.511 53.785 -0.274 19510 6923 1 14 . 1 1 13 13 ALA CB C 13 17.174 17.174 17.931 -0.757 19510 6924 1 14 . 1 1 13 13 ALA H H 13 8.444 8.444 8.486 -0.042 19510 6925 1 14 . 1 1 14 14 LYS N N 14 120.159 120.159 119.037 1.122 19510 6926 1 14 . 1 1 14 14 LYS HA H 14 4.257 4.257 4.158 0.099 19510 6927 1 14 . 1 1 14 14 LYS C C 14 176.757 176.757 178.172 -1.415 19510 6928 1 14 . 1 1 14 14 LYS CA C 14 56.461 56.461 58.622 -2.161 19510 6929 1 14 . 1 1 14 14 LYS CB C 14 31.191 31.191 31.747 -0.556 19510 6930 1 14 . 1 1 14 14 LYS H H 14 8.136 8.136 8.476 -0.340 19510 6931 1 14 . 1 1 15 15 PHE N N 15 118.588 118.588 116.964 1.624 19510 6932 1 14 . 1 1 15 15 PHE HA H 15 4.527 4.527 4.285 0.242 19510 6933 1 14 . 1 1 15 15 PHE C C 15 175.635 175.635 176.230 -0.595 19510 6934 1 14 . 1 1 15 15 PHE CA C 15 57.992 57.992 60.215 -2.223 19510 6935 1 14 . 1 1 15 15 PHE CB C 15 37.908 37.908 38.860 -0.952 19510 6936 1 14 . 1 1 15 15 PHE H H 15 7.998 7.998 7.725 0.273 19510 6937 1 14 . 1 1 16 16 ALA N N 16 122.847 122.847 118.126 4.721 19510 6938 1 14 . 1 1 16 16 ALA HA H 16 4.317 4.317 4.585 -0.268 19510 6939 1 14 . 1 1 16 16 ALA C C 16 177.641 177.641 175.883 1.758 19510 6940 1 14 . 1 1 16 16 ALA CA C 16 52.317 52.317 51.995 0.322 19510 6941 1 14 . 1 1 16 16 ALA CB C 16 17.378 17.378 19.361 -1.983 19510 6942 1 14 . 1 1 16 16 ALA H H 16 8.172 8.172 7.980 0.192 19510 6943 1 14 . 1 1 17 17 HIS N N 17 115.904 115.904 118.176 -2.272 19510 6944 1 14 . 1 1 17 17 HIS HA H 17 4.839 4.839 4.725 0.114 19510 6945 1 14 . 1 1 17 17 HIS CA C 17 54.594 54.594 57.155 -2.561 19510 6946 1 14 . 1 1 17 17 HIS CB C 17 27.532 27.532 33.365 -5.833 19510 6947 1 14 . 1 1 17 17 HIS H H 17 8.218 8.218 8.294 -0.076 19510 6948 1 14 . 1 1 18 18 ASP N N 18 121.432 121.432 120.834 0.598 19510 6949 1 14 . 1 1 18 18 ASP HA H 18 4.758 4.758 5.037 -0.279 19510 6950 1 14 . 1 1 18 18 ASP CA C 18 53.004 53.004 53.298 -0.294 19510 6951 1 14 . 1 1 18 18 ASP CB C 18 39.571 39.571 42.670 -3.099 19510 6952 1 14 . 1 1 18 18 ASP H H 18 8.103 8.103 8.475 -0.372 19510 6953 1 14 . 1 1 19 19 ALA N N 19 126.628 126.628 128.528 -1.900 19510 6954 1 14 . 1 1 19 19 ALA HA H 19 4.303 4.303 3.965 0.338 19510 6955 1 14 . 1 1 19 19 ALA CA C 19 53.177 53.177 55.341 -2.164 19510 6956 1 14 . 1 1 19 19 ALA CB C 19 17.231 17.231 18.400 -1.169 19510 6957 1 14 . 1 1 19 19 ALA H H 19 8.588 8.588 8.924 -0.336 19510 6958 1 14 . 1 1 20 20 GLU N N 20 119.826 119.826 118.856 0.970 19510 6959 1 14 . 1 1 20 20 GLU HA H 20 4.314 4.314 4.064 0.250 19510 6960 1 14 . 1 1 20 20 GLU CA C 20 57.403 57.403 58.948 -1.545 19510 6961 1 14 . 1 1 20 20 GLU CB C 20 27.780 27.780 28.713 -0.933 19510 6962 1 14 . 1 1 20 20 GLU H H 20 8.391 8.391 8.892 -0.501 19510 6963 1 14 . 1 1 21 21 LEU N N 21 122.268 122.268 121.236 1.032 19510 6964 1 14 . 1 1 21 21 LEU HA H 21 4.179 4.179 4.048 0.131 19510 6965 1 14 . 1 1 21 21 LEU CA C 21 56.531 56.531 57.271 -0.740 19510 6966 1 14 . 1 1 21 21 LEU CB C 21 40.255 40.255 41.754 -1.498 19510 6967 1 14 . 1 1 21 21 LEU H H 21 8.134 8.134 7.584 0.550 19510 6968 1 14 . 1 1 22 22 ASN N N 22 118.005 118.005 118.011 -0.006 19510 6969 1 14 . 1 1 22 22 ASN HA H 22 4.665 4.665 4.010 0.655 19510 6970 1 14 . 1 1 22 22 ASN CA C 22 55.493 55.493 56.766 -1.272 19510 6971 1 14 . 1 1 22 22 ASN CB C 22 37.084 37.084 38.385 -1.301 19510 6972 1 14 . 1 1 22 22 ASN H H 22 8.456 8.456 8.251 0.205 19510 6973 1 14 . 1 1 23 23 PHE N N 23 121.379 121.379 120.230 1.149 19510 6974 1 14 . 1 1 23 23 PHE HA H 23 4.509 4.509 4.124 0.385 19510 6975 1 14 . 1 1 23 23 PHE CA C 23 59.496 59.496 61.031 -1.535 19510 6976 1 14 . 1 1 23 23 PHE CB C 23 37.380 37.380 39.114 -1.734 19510 6977 1 14 . 1 1 23 23 PHE H H 23 8.453 8.453 8.167 0.286 19510 6978 1 14 . 1 1 24 24 LYS N N 24 120.674 120.674 118.398 2.276 19510 6979 1 14 . 1 1 24 24 LYS HA H 24 4.191 4.191 4.028 0.163 19510 6980 1 14 . 1 1 24 24 LYS C C 24 179.309 179.309 178.741 0.568 19510 6981 1 14 . 1 1 24 24 LYS CA C 24 58.132 58.132 59.104 -0.972 19510 6982 1 14 . 1 1 24 24 LYS CB C 24 31.828 31.828 32.426 -0.598 19510 6983 1 14 . 1 1 24 24 LYS H H 24 8.504 8.504 8.183 0.321 19510 6984 1 14 . 1 1 25 25 ALA N N 25 123.584 123.584 119.177 4.407 19510 6985 1 14 . 1 1 25 25 ALA HA H 25 4.146 4.146 4.296 -0.150 19510 6986 1 14 . 1 1 25 25 ALA C C 25 178.243 178.243 177.727 0.516 19510 6987 1 14 . 1 1 25 25 ALA CA C 25 53.760 53.760 52.859 0.900 19510 6988 1 14 . 1 1 25 25 ALA CB C 25 16.827 16.827 18.940 -2.113 19510 6989 1 14 . 1 1 25 25 ALA H H 25 8.841 8.841 8.147 0.694 19510 6990 1 14 . 1 1 26 26 GLU N N 26 122.239 122.239 118.519 3.720 19510 6991 1 14 . 1 1 26 26 GLU HA H 26 4.083 4.083 3.839 0.244 19510 6992 1 14 . 1 1 26 26 GLU C C 26 177.265 177.265 177.007 0.258 19510 6993 1 14 . 1 1 26 26 GLU CA C 26 57.850 57.850 59.384 -1.534 19510 6994 1 14 . 1 1 26 26 GLU CB C 26 28.891 28.891 29.660 -0.769 19510 6995 1 14 . 1 1 26 26 GLU H H 26 8.482 8.482 7.871 0.611 19510 6996 1 14 . 1 1 27 27 ALA N N 27 122.124 122.124 120.159 1.965 19510 6997 1 14 . 1 1 27 27 ALA HA H 27 4.352 4.352 4.457 -0.105 19510 6998 1 14 . 1 1 27 27 ALA C C 27 180.552 180.552 177.855 2.697 19510 6999 1 14 . 1 1 27 27 ALA CA C 27 53.519 53.519 52.923 0.596 19510 7000 1 14 . 1 1 27 27 ALA CB C 27 16.410 16.410 19.162 -2.752 19510 7001 1 14 . 1 1 27 27 ALA H H 27 8.043 8.043 7.360 0.683 19510 7002 1 14 . 1 1 28 28 ARG N N 28 120.375 120.375 116.281 4.094 19510 7003 1 14 . 1 1 28 28 ARG HA H 28 4.441 4.441 3.958 0.483 19510 7004 1 14 . 1 1 28 28 ARG C C 28 176.309 176.309 177.069 -0.760 19510 7005 1 14 . 1 1 28 28 ARG CA C 28 55.369 55.369 57.878 -2.509 19510 7006 1 14 . 1 1 28 28 ARG CB C 28 28.480 28.480 27.257 1.223 19510 7007 1 14 . 1 1 28 28 ARG H H 28 8.101 8.101 8.770 -0.669 19510 7008 1 14 . 1 1 29 29 ARG N N 29 122.734 122.734 116.512 6.222 19510 7009 1 14 . 1 1 29 29 ARG HA H 29 3.743 3.743 4.192 -0.449 19510 7010 1 14 . 1 1 29 29 ARG CA C 29 58.672 58.672 57.170 1.502 19510 7011 1 14 . 1 1 29 29 ARG CB C 29 29.051 29.051 30.175 -1.125 19510 7012 1 14 . 1 1 29 29 ARG H H 29 8.901 8.901 7.783 1.118 19510 7013 1 14 . 1 1 30 30 ASN N N 30 119.961 119.961 114.881 5.080 19510 7014 1 14 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.793 -0.159 19510 7015 1 14 . 1 1 30 30 ASN C C 30 175.888 175.888 176.699 -0.811 19510 7016 1 14 . 1 1 30 30 ASN CA C 30 55.147 55.147 53.937 1.210 19510 7017 1 14 . 1 1 30 30 ASN CB C 30 35.418 35.418 39.168 -3.750 19510 7018 1 14 . 1 1 30 30 ASN H H 30 8.429 8.429 7.988 0.441 19510 7019 1 14 . 1 1 31 31 ARG N N 31 123.400 123.400 122.816 0.584 19510 7020 1 14 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.089 0.193 19510 7021 1 14 . 1 1 31 31 ARG C C 31 177.804 177.804 177.720 0.084 19510 7022 1 14 . 1 1 31 31 ARG CA C 31 58.132 58.132 59.222 -1.090 19510 7023 1 14 . 1 1 31 31 ARG CB C 31 27.636 27.636 29.698 -2.062 19510 7024 1 14 . 1 1 31 31 ARG H H 31 8.052 8.052 8.413 -0.361 19510 7025 1 14 . 1 1 32 32 LEU N N 32 119.872 119.872 115.268 4.604 19510 7026 1 14 . 1 1 32 32 LEU HA H 32 4.318 4.318 4.280 0.038 19510 7027 1 14 . 1 1 32 32 LEU C C 32 180.602 180.602 178.095 2.507 19510 7028 1 14 . 1 1 32 32 LEU CA C 32 56.471 56.471 56.758 -0.287 19510 7029 1 14 . 1 1 32 32 LEU CB C 32 40.558 40.558 41.320 -0.762 19510 7030 1 14 . 1 1 32 32 LEU H H 32 8.752 8.752 7.677 1.075 19510 7031 1 14 . 1 1 33 33 LEU N N 33 124.468 124.468 120.263 4.205 19510 7032 1 14 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.306 -0.005 19510 7033 1 14 . 1 1 33 33 LEU C C 33 177.992 177.992 178.700 -0.708 19510 7034 1 14 . 1 1 33 33 LEU CA C 33 56.482 56.482 56.947 -0.465 19510 7035 1 14 . 1 1 33 33 LEU CB C 33 41.626 41.626 41.841 -0.215 19510 7036 1 14 . 1 1 33 33 LEU H H 33 9.273 9.273 8.109 1.164 19510 7037 1 14 . 1 1 34 34 GLY N N 34 109.045 109.045 106.303 2.742 19510 7038 1 14 . 1 1 34 34 GLY C C 34 174.530 174.530 175.669 -1.139 19510 7039 1 14 . 1 1 34 34 GLY CA C 34 45.447 45.447 47.392 -1.945 19510 7040 1 14 . 1 1 34 34 GLY H H 34 8.907 8.907 7.804 1.103 19510 7041 1 14 . 1 1 35 35 GLU N N 35 123.414 123.414 120.626 2.788 19510 7042 1 14 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.242 -0.065 19510 7043 1 14 . 1 1 35 35 GLU C C 35 178.866 178.866 178.306 0.560 19510 7044 1 14 . 1 1 35 35 GLU CA C 35 59.564 59.564 58.308 1.256 19510 7045 1 14 . 1 1 35 35 GLU CB C 35 27.692 27.692 29.244 -1.552 19510 7046 1 14 . 1 1 35 35 GLU H H 35 8.935 8.935 7.803 1.132 19510 7047 1 14 . 1 1 36 36 TRP N N 36 124.774 124.774 122.796 1.978 19510 7048 1 14 . 1 1 36 36 TRP HA H 36 4.604 4.604 4.435 0.169 19510 7049 1 14 . 1 1 36 36 TRP C C 36 177.618 177.618 177.348 0.270 19510 7050 1 14 . 1 1 36 36 TRP CA C 36 58.867 58.867 60.268 -1.401 19510 7051 1 14 . 1 1 36 36 TRP CB C 36 26.021 26.021 29.547 -3.526 19510 7052 1 14 . 1 1 36 36 TRP H H 36 8.531 8.531 7.576 0.955 19510 7053 1 14 . 1 1 37 37 ALA N N 37 123.777 123.777 121.554 2.223 19510 7054 1 14 . 1 1 37 37 ALA HA H 37 3.403 3.403 3.205 0.198 19510 7055 1 14 . 1 1 37 37 ALA C C 37 177.427 177.427 179.040 -1.613 19510 7056 1 14 . 1 1 37 37 ALA CA C 37 53.148 53.148 54.427 -1.279 19510 7057 1 14 . 1 1 37 37 ALA CB C 37 18.440 18.440 17.819 0.621 19510 7058 1 14 . 1 1 37 37 ALA H H 37 9.141 9.141 7.982 1.159 19510 7059 1 14 . 1 1 38 38 ALA N N 38 119.259 119.259 121.784 -2.525 19510 7060 1 14 . 1 1 38 38 ALA HA H 38 3.523 3.523 3.516 0.007 19510 7061 1 14 . 1 1 38 38 ALA C C 38 178.670 178.670 179.519 -0.849 19510 7062 1 14 . 1 1 38 38 ALA CA C 38 53.882 53.882 55.332 -1.450 19510 7063 1 14 . 1 1 38 38 ALA CB C 38 17.083 17.083 18.134 -1.052 19510 7064 1 14 . 1 1 38 38 ALA H H 38 8.788 8.788 8.778 0.010 19510 7065 1 14 . 1 1 39 39 GLY N N 39 104.011 104.011 106.285 -2.274 19510 7066 1 14 . 1 1 39 39 GLY C C 39 177.232 177.232 176.259 0.973 19510 7067 1 14 . 1 1 39 39 GLY CA C 39 45.519 45.519 46.666 -1.147 19510 7068 1 14 . 1 1 39 39 GLY H H 39 7.756 7.756 8.088 -0.332 19510 7069 1 14 . 1 1 40 40 LEU N N 40 125.340 125.340 122.018 3.322 19510 7070 1 14 . 1 1 40 40 LEU HA H 40 4.111 4.111 3.981 0.130 19510 7071 1 14 . 1 1 40 40 LEU C C 40 178.203 178.203 178.907 -0.704 19510 7072 1 14 . 1 1 40 40 LEU CA C 40 56.123 56.123 57.283 -1.161 19510 7073 1 14 . 1 1 40 40 LEU CB C 40 40.764 40.764 41.470 -0.706 19510 7074 1 14 . 1 1 40 40 LEU H H 40 7.511 7.511 7.102 0.409 19510 7075 1 14 . 1 1 41 41 LEU N N 41 117.234 117.234 118.637 -1.403 19510 7076 1 14 . 1 1 41 41 LEU HA H 41 4.139 4.139 3.963 0.176 19510 7077 1 14 . 1 1 41 41 LEU C C 41 176.119 176.119 177.946 -1.827 19510 7078 1 14 . 1 1 41 41 LEU CA C 41 53.213 53.213 57.141 -3.928 19510 7079 1 14 . 1 1 41 41 LEU CB C 41 41.092 41.092 42.318 -1.226 19510 7080 1 14 . 1 1 41 41 LEU H H 41 7.692 7.692 8.399 -0.707 19510 7081 1 14 . 1 1 42 42 GLY N N 42 109.595 109.595 104.762 4.833 19510 7082 1 14 . 1 1 42 42 GLY C C 42 173.775 173.775 173.612 0.163 19510 7083 1 14 . 1 1 42 42 GLY CA C 42 44.409 44.409 44.394 0.015 19510 7084 1 14 . 1 1 42 42 GLY H H 42 7.896 7.896 8.025 -0.129 19510 7085 1 14 . 1 1 43 43 LYS N N 43 119.965 119.965 122.228 -2.263 19510 7086 1 14 . 1 1 43 43 LYS HA H 43 4.737 4.737 4.605 0.132 19510 7087 1 14 . 1 1 43 43 LYS C C 43 175.246 175.246 175.115 0.131 19510 7088 1 14 . 1 1 43 43 LYS CA C 43 54.189 54.189 55.106 -0.917 19510 7089 1 14 . 1 1 43 43 LYS CB C 43 33.208 33.208 34.061 -0.853 19510 7090 1 14 . 1 1 43 43 LYS H H 43 8.104 8.104 8.209 -0.105 19510 7091 1 14 . 1 1 44 44 THR N N 44 114.199 114.199 114.162 0.037 19510 7092 1 14 . 1 1 44 44 THR HA H 44 4.773 4.773 4.689 0.084 19510 7093 1 14 . 1 1 44 44 THR C C 44 174.392 174.392 174.572 -0.180 19510 7094 1 14 . 1 1 44 44 THR CA C 44 58.348 58.348 60.076 -1.728 19510 7095 1 14 . 1 1 44 44 THR CB C 44 70.921 70.921 71.920 -0.999 19510 7096 1 14 . 1 1 44 44 THR H H 44 8.958 8.958 8.069 0.889 19510 7097 1 14 . 1 1 45 45 GLY N N 45 109.657 109.657 112.703 -3.046 19510 7098 1 14 . 1 1 45 45 GLY C C 45 175.330 175.330 175.563 -0.233 19510 7099 1 14 . 1 1 45 45 GLY CA C 45 45.315 45.315 46.809 -1.494 19510 7100 1 14 . 1 1 45 45 GLY H H 45 8.885 8.885 8.645 0.240 19510 7101 1 14 . 1 1 46 46 ASP N N 46 128.403 128.403 124.473 3.930 19510 7102 1 14 . 1 1 46 46 ASP HA H 46 4.561 4.561 4.332 0.229 19510 7103 1 14 . 1 1 46 46 ASP C C 46 177.343 177.343 177.814 -0.471 19510 7104 1 14 . 1 1 46 46 ASP CA C 46 55.829 55.829 56.915 -1.086 19510 7105 1 14 . 1 1 46 46 ASP CB C 46 39.039 39.039 40.853 -1.814 19510 7106 1 14 . 1 1 46 46 ASP H H 46 9.318 9.318 8.686 0.632 19510 7107 1 14 . 1 1 47 47 ASP N N 47 121.367 121.367 119.152 2.215 19510 7108 1 14 . 1 1 47 47 ASP HA H 47 4.668 4.668 4.441 0.227 19510 7109 1 14 . 1 1 47 47 ASP CA C 47 55.545 55.545 57.695 -2.150 19510 7110 1 14 . 1 1 47 47 ASP CB C 47 39.415 39.415 40.804 -1.389 19510 7111 1 14 . 1 1 47 47 ASP H H 47 8.521 8.521 8.162 0.359 19510 7112 1 14 . 1 1 48 48 ALA N N 48 123.210 123.210 122.464 0.746 19510 7113 1 14 . 1 1 48 48 ALA HA H 48 3.940 3.940 4.046 -0.106 19510 7114 1 14 . 1 1 48 48 ALA CA C 48 53.331 53.331 54.765 -1.434 19510 7115 1 14 . 1 1 48 48 ALA CB C 48 16.036 16.036 18.724 -2.688 19510 7116 1 14 . 1 1 48 48 ALA H H 48 7.262 7.262 7.327 -0.065 19510 7117 1 14 . 1 1 49 49 ARG N N 49 120.088 120.088 119.741 0.347 19510 7118 1 14 . 1 1 49 49 ARG HA H 49 4.126 4.126 4.002 0.124 19510 7119 1 14 . 1 1 49 49 ARG CA C 49 57.876 57.876 59.483 -1.607 19510 7120 1 14 . 1 1 49 49 ARG CB C 49 28.774 28.774 30.370 -1.596 19510 7121 1 14 . 1 1 49 49 ARG H H 49 7.805 7.805 8.355 -0.550 19510 7122 1 14 . 1 1 50 50 ALA N N 50 121.061 121.061 119.011 2.050 19510 7123 1 14 . 1 1 50 50 ALA HA H 50 4.218 4.218 4.158 0.060 19510 7124 1 14 . 1 1 50 50 ALA CA C 50 53.399 53.399 54.646 -1.247 19510 7125 1 14 . 1 1 50 50 ALA CB C 50 16.672 16.672 18.466 -1.794 19510 7126 1 14 . 1 1 50 50 ALA H H 50 8.387 8.387 7.520 0.867 19510 7127 1 14 . 1 1 51 51 TYR N N 51 119.264 119.264 120.974 -1.710 19510 7128 1 14 . 1 1 51 51 TYR HA H 51 4.231 4.231 4.156 0.075 19510 7129 1 14 . 1 1 51 51 TYR C C 51 178.335 178.335 177.299 1.036 19510 7130 1 14 . 1 1 51 51 TYR CA C 51 60.493 60.493 60.513 -0.020 19510 7131 1 14 . 1 1 51 51 TYR CB C 51 37.094 37.094 38.490 -1.396 19510 7132 1 14 . 1 1 51 51 TYR H H 51 8.095 8.095 7.760 0.335 19510 7133 1 14 . 1 1 52 52 ALA N N 52 124.002 124.002 120.519 3.483 19510 7134 1 14 . 1 1 52 52 ALA HA H 52 3.899 3.899 4.196 -0.297 19510 7135 1 14 . 1 1 52 52 ALA C C 52 178.352 178.352 177.721 0.631 19510 7136 1 14 . 1 1 52 52 ALA CA C 52 54.394 54.394 53.633 0.761 19510 7137 1 14 . 1 1 52 52 ALA CB C 52 16.369 16.369 18.214 -1.845 19510 7138 1 14 . 1 1 52 52 ALA H H 52 8.651 8.651 8.562 0.089 19510 7139 1 14 . 1 1 53 53 LEU N N 53 116.593 116.593 117.249 -0.656 19510 7140 1 14 . 1 1 53 53 LEU HA H 53 4.301 4.301 4.530 -0.229 19510 7141 1 14 . 1 1 53 53 LEU C C 53 177.452 177.452 177.184 0.268 19510 7142 1 14 . 1 1 53 53 LEU CA C 53 55.412 55.412 55.517 -0.105 19510 7143 1 14 . 1 1 53 53 LEU CB C 53 40.510 40.510 42.397 -1.887 19510 7144 1 14 . 1 1 53 53 LEU H H 53 7.664 7.664 7.547 0.117 19510 7145 1 14 . 1 1 54 54 THR N N 54 110.998 110.998 113.895 -2.897 19510 7146 1 14 . 1 1 54 54 THR HA H 54 4.401 4.401 4.465 -0.064 19510 7147 1 14 . 1 1 54 54 THR CA C 54 61.997 61.997 62.303 -0.306 19510 7148 1 14 . 1 1 54 54 THR CB C 54 67.988 67.988 69.099 -1.111 19510 7149 1 14 . 1 1 54 54 THR H H 54 7.962 7.962 7.676 0.286 19510 7150 1 14 . 1 1 55 55 VAL N N 55 123.907 123.907 122.230 1.677 19510 7151 1 14 . 1 1 55 55 VAL HA H 55 3.869 3.869 4.238 -0.369 19510 7152 1 14 . 1 1 55 55 VAL CA C 55 62.373 62.373 61.771 0.602 19510 7153 1 14 . 1 1 55 55 VAL CB C 55 29.037 29.037 32.145 -3.108 19510 7154 1 14 . 1 1 55 55 VAL H H 55 7.217 7.217 7.688 -0.471 19510 7155 1 14 . 1 1 56 56 VAL N N 56 119.176 119.176 124.081 -4.905 19510 7156 1 14 . 1 1 56 56 VAL HA H 56 4.300 4.300 4.357 -0.057 19510 7157 1 14 . 1 1 56 56 VAL CA C 56 55.363 55.363 61.870 -6.508 19510 7158 1 14 . 1 1 56 56 VAL CB C 56 32.466 32.466 34.222 -1.756 19510 7159 1 14 . 1 1 56 56 VAL H H 56 7.474 7.474 7.860 -0.386 19510 7160 1 14 . 1 1 57 57 THR N N 57 114.951 114.951 119.146 -4.195 19510 7161 1 14 . 1 1 57 57 THR HA H 57 4.509 4.509 4.406 0.103 19510 7162 1 14 . 1 1 57 57 THR CA C 57 60.698 60.698 62.216 -1.518 19510 7163 1 14 . 1 1 57 57 THR CB C 57 68.177 68.177 70.324 -2.147 19510 7164 1 14 . 1 1 57 57 THR H H 57 7.992 7.992 8.476 -0.484 19510 7165 1 14 . 1 1 58 58 SER N N 58 119.820 119.820 117.653 2.167 19510 7166 1 14 . 1 1 58 58 SER HA H 58 4.554 4.554 4.213 0.341 19510 7167 1 14 . 1 1 58 58 SER CA C 58 57.409 57.409 59.806 -2.397 19510 7168 1 14 . 1 1 58 58 SER CB C 58 62.399 62.399 62.610 -0.211 19510 7169 1 14 . 1 1 58 58 SER H H 58 8.473 8.473 8.298 0.175 19510 7170 1 14 . 1 1 59 59 ASP N N 59 122.199 122.199 123.924 -1.725 19510 7171 1 14 . 1 1 59 59 ASP HA H 59 4.762 4.762 4.967 -0.205 19510 7172 1 14 . 1 1 59 59 ASP C C 59 175.459 175.459 174.218 1.241 19510 7173 1 14 . 1 1 59 59 ASP CA C 59 52.469 52.469 53.580 -1.111 19510 7174 1 14 . 1 1 59 59 ASP CB C 59 39.455 39.455 43.481 -4.026 19510 7175 1 14 . 1 1 59 59 ASP H H 59 8.285 8.285 8.410 -0.125 19510 7176 1 14 . 1 1 60 60 PHE HA H 60 4.182 4.182 4.672 -0.490 19510 7177 1 14 . 1 1 60 60 PHE CA C 60 59.253 59.253 57.878 1.375 19510 7178 1 14 . 1 1 60 60 PHE CB C 60 35.163 35.163 40.721 -5.558 19510 7179 1 14 . 1 1 63 63 PRO HA H 63 4.606 4.606 4.333 0.273 19510 7180 1 14 . 1 1 63 63 PRO CA C 63 55.716 55.716 62.634 -6.918 19510 7181 1 14 . 1 1 63 63 PRO CB C 63 30.732 30.732 32.381 -1.649 19510 7182 1 14 . 1 1 64 64 GLY N N 64 110.382 110.382 107.209 3.173 19510 7183 1 14 . 1 1 64 64 GLY CA C 64 44.280 44.280 45.306 -1.026 19510 7184 1 14 . 1 1 64 64 GLY H H 64 8.706 8.706 8.361 0.345 19510 7185 1 14 . 1 1 65 65 ASP N N 65 121.977 121.977 123.929 -1.952 19510 7186 1 14 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.575 0.088 19510 7187 1 14 . 1 1 65 65 ASP CA C 65 55.765 55.765 54.132 1.633 19510 7188 1 14 . 1 1 65 65 ASP CB C 65 39.579 39.579 41.408 -1.829 19510 7189 1 14 . 1 1 65 65 ASP H H 65 8.661 8.661 8.074 0.587 19510 7190 1 14 . 1 1 66 66 GLU N N 66 120.065 120.065 117.705 2.360 19510 7191 1 14 . 1 1 66 66 GLU HA H 66 4.437 4.437 4.101 0.336 19510 7192 1 14 . 1 1 66 66 GLU CA C 66 57.520 57.520 57.127 0.393 19510 7193 1 14 . 1 1 66 66 GLU CB C 66 27.598 27.598 29.239 -1.641 19510 7194 1 14 . 1 1 66 66 GLU H H 66 8.643 8.643 8.615 0.028 19510 7195 1 14 . 1 1 67 67 ASP N N 67 120.033 120.033 118.732 1.301 19510 7196 1 14 . 1 1 67 67 ASP HA H 67 4.609 4.609 4.679 -0.070 19510 7197 1 14 . 1 1 67 67 ASP CA C 67 55.601 55.601 55.840 -0.239 19510 7198 1 14 . 1 1 67 67 ASP CB C 67 39.106 39.106 41.659 -2.553 19510 7199 1 14 . 1 1 67 67 ASP H H 67 8.272 8.272 8.363 -0.091 19510 7200 1 14 . 1 1 68 68 VAL N N 68 123.206 123.206 120.268 2.938 19510 7201 1 14 . 1 1 68 68 VAL HA H 68 3.817 3.817 4.031 -0.214 19510 7202 1 14 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.015 0.700 19510 7203 1 14 . 1 1 68 68 VAL CB C 68 30.705 30.705 31.902 -1.197 19510 7204 1 14 . 1 1 68 68 VAL H H 68 8.045 8.045 7.982 0.063 19510 7205 1 14 . 1 1 69 69 PHE N N 69 120.600 120.600 120.772 -0.172 19510 7206 1 14 . 1 1 69 69 PHE HA H 69 4.158 4.158 4.599 -0.441 19510 7207 1 14 . 1 1 69 69 PHE CA C 69 61.013 61.013 60.176 0.837 19510 7208 1 14 . 1 1 69 69 PHE CB C 69 37.455 37.455 38.415 -0.960 19510 7209 1 14 . 1 1 69 69 PHE H H 69 8.488 8.488 8.053 0.435 19510 7210 1 14 . 1 1 70 70 ARG N N 70 117.820 117.820 120.707 -2.887 19510 7211 1 14 . 1 1 70 70 ARG HA H 70 3.755 3.755 3.727 0.028 19510 7212 1 14 . 1 1 70 70 ARG C C 70 178.813 178.813 177.900 0.913 19510 7213 1 14 . 1 1 70 70 ARG CA C 70 58.184 58.184 60.113 -1.929 19510 7214 1 14 . 1 1 70 70 ARG CB C 70 28.899 28.899 30.073 -1.174 19510 7215 1 14 . 1 1 70 70 ARG H H 70 8.611 8.611 8.435 0.176 19510 7216 1 14 . 1 1 71 71 LYS N N 71 121.726 121.726 118.624 3.102 19510 7217 1 14 . 1 1 71 71 LYS HA H 71 4.253 4.253 3.999 0.254 19510 7218 1 14 . 1 1 71 71 LYS C C 71 177.020 177.020 178.556 -1.536 19510 7219 1 14 . 1 1 71 71 LYS CA C 71 58.490 58.490 58.777 -0.287 19510 7220 1 14 . 1 1 71 71 LYS CB C 71 31.216 31.216 31.132 0.084 19510 7221 1 14 . 1 1 71 71 LYS H H 71 7.686 7.686 7.985 -0.299 19510 7222 1 14 . 1 1 72 72 LEU N N 72 119.355 119.355 122.384 -3.029 19510 7223 1 14 . 1 1 72 72 LEU HA H 72 4.051 4.051 4.038 0.013 19510 7224 1 14 . 1 1 72 72 LEU C C 72 177.378 177.378 179.045 -1.667 19510 7225 1 14 . 1 1 72 72 LEU CA C 72 56.317 56.317 57.535 -1.218 19510 7226 1 14 . 1 1 72 72 LEU CB C 72 41.148 41.148 40.724 0.424 19510 7227 1 14 . 1 1 72 72 LEU H H 72 8.215 8.215 7.724 0.491 19510 7228 1 14 . 1 1 73 73 ALA N N 73 121.106 121.106 120.464 0.642 19510 7229 1 14 . 1 1 73 73 ALA HA H 73 3.767 3.767 3.808 -0.041 19510 7230 1 14 . 1 1 73 73 ALA C C 73 179.644 179.644 179.082 0.562 19510 7231 1 14 . 1 1 73 73 ALA CA C 73 53.263 53.263 54.708 -1.444 19510 7232 1 14 . 1 1 73 73 ALA CB C 73 15.930 15.930 17.773 -1.843 19510 7233 1 14 . 1 1 73 73 ALA H H 73 9.143 9.143 7.877 1.266 19510 7234 1 14 . 1 1 74 74 ALA N N 74 119.383 119.383 120.787 -1.404 19510 7235 1 14 . 1 1 74 74 ALA HA H 74 4.384 4.384 4.025 0.359 19510 7236 1 14 . 1 1 74 74 ALA C C 74 179.752 179.752 180.162 -0.410 19510 7237 1 14 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.291 -0.767 19510 7238 1 14 . 1 1 74 74 ALA CB C 74 17.094 17.094 18.454 -1.360 19510 7239 1 14 . 1 1 74 74 ALA H H 74 7.403 7.403 7.648 -0.245 19510 7240 1 14 . 1 1 75 75 ASP N N 75 120.226 120.226 120.113 0.113 19510 7241 1 14 . 1 1 75 75 ASP HA H 75 4.523 4.523 4.425 0.098 19510 7242 1 14 . 1 1 75 75 ASP C C 75 177.704 177.704 177.717 -0.013 19510 7243 1 14 . 1 1 75 75 ASP CA C 75 55.312 55.312 57.040 -1.728 19510 7244 1 14 . 1 1 75 75 ASP CB C 75 38.326 38.326 41.161 -2.835 19510 7245 1 14 . 1 1 75 75 ASP H H 75 8.536 8.536 8.328 0.208 19510 7246 1 14 . 1 1 76 76 LEU N N 76 115.468 115.468 117.572 -2.104 19510 7247 1 14 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.436 -0.044 19510 7248 1 14 . 1 1 76 76 LEU C C 76 174.790 174.790 175.395 -0.605 19510 7249 1 14 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.129 -0.505 19510 7250 1 14 . 1 1 76 76 LEU CB C 76 39.594 39.594 42.415 -2.821 19510 7251 1 14 . 1 1 76 76 LEU H H 76 8.612 8.612 7.939 0.673 19510 7252 1 14 . 1 1 77 77 GLU N N 77 124.725 124.725 120.598 4.127 19510 7253 1 14 . 1 1 77 77 GLU HA H 77 4.343 4.343 3.964 0.379 19510 7254 1 14 . 1 1 77 77 GLU C C 77 176.953 176.953 177.124 -0.171 19510 7255 1 14 . 1 1 77 77 GLU CA C 77 57.345 57.345 58.401 -1.056 19510 7256 1 14 . 1 1 77 77 GLU CB C 77 27.555 27.555 29.363 -1.808 19510 7257 1 14 . 1 1 77 77 GLU H H 77 7.158 7.158 7.232 -0.074 19510 7258 1 14 . 1 1 78 78 GLY N N 78 118.105 118.105 113.388 4.717 19510 7259 1 14 . 1 1 78 78 GLY C C 78 173.075 173.075 174.927 -1.852 19510 7260 1 14 . 1 1 78 78 GLY CA C 78 44.269 44.269 45.729 -1.460 19510 7261 1 14 . 1 1 78 78 GLY H H 78 9.392 9.392 8.919 0.473 19510 7262 1 14 . 1 1 79 79 LYS N N 79 120.237 120.237 119.405 0.832 19510 7263 1 14 . 1 1 79 79 LYS HA H 79 4.663 4.663 4.560 0.103 19510 7264 1 14 . 1 1 79 79 LYS C C 79 175.050 175.050 174.777 0.273 19510 7265 1 14 . 1 1 79 79 LYS CA C 79 54.683 54.683 55.545 -0.862 19510 7266 1 14 . 1 1 79 79 LYS CB C 79 33.435 33.435 33.746 -0.311 19510 7267 1 14 . 1 1 79 79 LYS H H 79 8.809 8.809 8.297 0.512 19510 7268 1 14 . 1 1 80 80 ALA N N 80 121.135 121.135 120.854 0.281 19510 7269 1 14 . 1 1 80 80 ALA HA H 80 4.893 4.893 4.743 0.150 19510 7270 1 14 . 1 1 80 80 ALA C C 80 174.051 174.051 174.437 -0.386 19510 7271 1 14 . 1 1 80 80 ALA CA C 80 50.289 50.289 51.481 -1.192 19510 7272 1 14 . 1 1 80 80 ALA CB C 80 20.483 20.483 21.443 -0.960 19510 7273 1 14 . 1 1 80 80 ALA H H 80 8.169 8.169 7.576 0.593 19510 7274 1 14 . 1 1 81 81 ASP N N 81 121.569 121.569 118.464 3.105 19510 7275 1 14 . 1 1 81 81 ASP HA H 81 4.898 4.898 5.045 -0.147 19510 7276 1 14 . 1 1 81 81 ASP CA C 81 50.397 50.397 53.157 -2.760 19510 7277 1 14 . 1 1 81 81 ASP CB C 81 40.401 40.401 43.918 -3.517 19510 7278 1 14 . 1 1 81 81 ASP H H 81 8.330 8.330 8.439 -0.109 19510 7279 1 14 . 1 1 82 82 GLU N N 82 119.843 119.843 121.466 -1.623 19510 7280 1 14 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.285 -0.100 19510 7281 1 14 . 1 1 82 82 GLU C C 82 177.350 177.350 178.711 -1.361 19510 7282 1 14 . 1 1 82 82 GLU CA C 82 59.676 59.676 60.909 -1.233 19510 7283 1 14 . 1 1 82 82 GLU CB C 82 27.893 27.893 29.605 -1.712 19510 7284 1 14 . 1 1 82 82 GLU H H 82 8.923 8.923 8.904 0.019 19510 7285 1 14 . 1 1 83 83 GLU N N 83 119.348 119.348 117.450 1.898 19510 7286 1 14 . 1 1 83 83 GLU HA H 83 4.177 4.177 4.174 0.003 19510 7287 1 14 . 1 1 83 83 GLU C C 83 178.794 178.794 178.600 0.194 19510 7288 1 14 . 1 1 83 83 GLU CA C 83 59.082 59.082 59.542 -0.460 19510 7289 1 14 . 1 1 83 83 GLU CB C 83 28.879 28.879 28.942 -0.063 19510 7290 1 14 . 1 1 83 83 GLU H H 83 8.832 8.832 8.742 0.090 19510 7291 1 14 . 1 1 84 84 THR N N 84 119.892 119.892 117.133 2.759 19510 7292 1 14 . 1 1 84 84 THR HA H 84 4.140 4.140 4.056 0.084 19510 7293 1 14 . 1 1 84 84 THR C C 84 176.165 176.165 176.432 -0.267 19510 7294 1 14 . 1 1 84 84 THR CA C 84 65.721 65.721 66.634 -0.913 19510 7295 1 14 . 1 1 84 84 THR CB C 84 66.751 66.751 68.373 -1.622 19510 7296 1 14 . 1 1 84 84 THR H H 84 8.576 8.576 8.070 0.506 19510 7297 1 14 . 1 1 85 85 ILE N N 85 123.655 123.655 122.053 1.602 19510 7298 1 14 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.754 0.065 19510 7299 1 14 . 1 1 85 85 ILE C C 85 174.809 174.809 177.170 -2.361 19510 7300 1 14 . 1 1 85 85 ILE CA C 85 64.891 64.891 65.584 -0.693 19510 7301 1 14 . 1 1 85 85 ILE CB C 85 37.797 37.797 38.087 -0.289 19510 7302 1 14 . 1 1 85 85 ILE H H 85 8.572 8.572 8.612 -0.040 19510 7303 1 14 . 1 1 86 86 ARG N N 86 119.670 119.670 119.906 -0.236 19510 7304 1 14 . 1 1 86 86 ARG HA H 86 4.186 4.186 3.323 0.863 19510 7305 1 14 . 1 1 86 86 ARG CA C 86 58.766 58.766 58.381 0.385 19510 7306 1 14 . 1 1 86 86 ARG CB C 86 28.165 28.165 28.652 -0.487 19510 7307 1 14 . 1 1 86 86 ARG H H 86 9.092 9.092 7.836 1.256 19510 7308 1 14 . 1 1 87 87 ALA N N 87 121.431 121.431 122.558 -1.127 19510 7309 1 14 . 1 1 87 87 ALA HA H 87 4.307 4.307 3.988 0.319 19510 7310 1 14 . 1 1 87 87 ALA CA C 87 53.558 53.558 54.599 -1.041 19510 7311 1 14 . 1 1 87 87 ALA CB C 87 16.382 16.382 18.165 -1.782 19510 7312 1 14 . 1 1 87 87 ALA H H 87 8.242 8.242 8.258 -0.016 19510 7313 1 14 . 1 1 88 88 LYS N N 88 122.742 122.742 119.447 3.295 19510 7314 1 14 . 1 1 88 88 LYS HA H 88 4.011 4.011 3.948 0.063 19510 7315 1 14 . 1 1 88 88 LYS CA C 88 55.172 55.172 59.297 -4.125 19510 7316 1 14 . 1 1 88 88 LYS CB C 88 29.078 29.078 31.921 -2.843 19510 7317 1 14 . 1 1 88 88 LYS H H 88 8.182 8.182 8.034 0.148 19510 7318 1 14 . 1 1 89 89 MET N N 89 118.686 118.686 115.705 2.981 19510 7319 1 14 . 1 1 89 89 MET HA H 89 3.854 3.854 4.159 -0.305 19510 7320 1 14 . 1 1 89 89 MET CA C 89 59.175 59.175 58.787 0.388 19510 7321 1 14 . 1 1 89 89 MET CB C 89 31.697 31.697 32.579 -0.882 19510 7322 1 14 . 1 1 89 89 MET H H 89 8.504 8.504 7.489 1.015 19510 7323 1 14 . 1 1 90 90 VAL N N 90 120.987 120.987 118.781 2.206 19510 7324 1 14 . 1 1 90 90 VAL HA H 90 3.853 3.853 3.592 0.261 19510 7325 1 14 . 1 1 90 90 VAL C C 90 178.017 178.017 178.475 -0.458 19510 7326 1 14 . 1 1 90 90 VAL CA C 90 64.868 64.868 64.497 0.371 19510 7327 1 14 . 1 1 90 90 VAL CB C 90 31.054 31.054 31.774 -0.720 19510 7328 1 14 . 1 1 90 90 VAL H H 90 7.573 7.573 7.459 0.114 19510 7329 1 14 . 1 1 91 91 GLU N N 91 124.236 124.236 121.734 2.502 19510 7330 1 14 . 1 1 91 91 GLU HA H 91 3.802 3.802 3.957 -0.155 19510 7331 1 14 . 1 1 91 91 GLU C C 91 177.612 177.612 178.878 -1.266 19510 7332 1 14 . 1 1 91 91 GLU CA C 91 58.414 58.414 59.474 -1.060 19510 7333 1 14 . 1 1 91 91 GLU CB C 91 30.606 30.606 29.477 1.129 19510 7334 1 14 . 1 1 91 91 GLU H H 91 8.494 8.494 8.172 0.322 19510 7335 1 14 . 1 1 92 92 LEU N N 92 114.818 114.818 116.120 -1.302 19510 7336 1 14 . 1 1 92 92 LEU HA H 92 4.336 4.336 4.391 -0.055 19510 7337 1 14 . 1 1 92 92 LEU C C 92 177.928 177.928 178.221 -0.293 19510 7338 1 14 . 1 1 92 92 LEU CA C 92 56.351 56.351 53.508 2.843 19510 7339 1 14 . 1 1 92 92 LEU CB C 92 39.780 39.780 39.356 0.424 19510 7340 1 14 . 1 1 92 92 LEU H H 92 8.833 8.833 7.454 1.379 19510 7341 1 14 . 1 1 93 93 ARG N N 93 123.398 123.398 121.919 1.479 19510 7342 1 14 . 1 1 93 93 ARG HA H 93 3.997 3.997 3.829 0.168 19510 7343 1 14 . 1 1 93 93 ARG C C 93 176.350 176.350 177.605 -1.255 19510 7344 1 14 . 1 1 93 93 ARG CA C 93 58.848 58.848 59.747 -0.899 19510 7345 1 14 . 1 1 93 93 ARG CB C 93 28.592 28.592 30.100 -1.508 19510 7346 1 14 . 1 1 93 93 ARG H H 93 7.746 7.746 7.780 -0.034 19510 7347 1 14 . 1 1 94 94 ALA N N 94 122.480 122.480 117.523 4.957 19510 7348 1 14 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.547 -0.286 19510 7349 1 14 . 1 1 94 94 ALA C C 94 179.805 179.805 179.466 0.339 19510 7350 1 14 . 1 1 94 94 ALA CA C 94 54.529 54.529 53.517 1.012 19510 7351 1 14 . 1 1 94 94 ALA CB C 94 16.423 16.423 18.794 -2.371 19510 7352 1 14 . 1 1 94 94 ALA H H 94 7.322 7.322 8.080 -0.758 19510 7353 1 14 . 1 1 95 95 THR N N 95 116.936 116.936 117.637 -0.701 19510 7354 1 14 . 1 1 95 95 THR HA H 95 4.045 4.045 3.883 0.162 19510 7355 1 14 . 1 1 95 95 THR C C 95 175.007 175.007 176.205 -1.198 19510 7356 1 14 . 1 1 95 95 THR CA C 95 64.868 64.868 66.594 -1.726 19510 7357 1 14 . 1 1 95 95 THR CB C 95 67.633 67.633 68.429 -0.796 19510 7358 1 14 . 1 1 95 95 THR H H 95 8.275 8.275 8.007 0.268 19510 7359 1 14 . 1 1 96 96 ALA N N 96 123.969 123.969 123.611 0.358 19510 7360 1 14 . 1 1 96 96 ALA HA H 96 3.904 3.904 4.108 -0.204 19510 7361 1 14 . 1 1 96 96 ALA C C 96 178.184 178.184 178.938 -0.754 19510 7362 1 14 . 1 1 96 96 ALA CA C 96 54.098 54.098 54.990 -0.893 19510 7363 1 14 . 1 1 96 96 ALA CB C 96 18.118 18.118 18.473 -0.355 19510 7364 1 14 . 1 1 96 96 ALA H H 96 8.688 8.688 8.422 0.266 19510 7365 1 14 . 1 1 97 97 ARG N N 97 117.393 117.393 116.538 0.855 19510 7366 1 14 . 1 1 97 97 ARG HA H 97 3.857 3.857 4.160 -0.303 19510 7367 1 14 . 1 1 97 97 ARG C C 97 176.770 176.770 178.530 -1.760 19510 7368 1 14 . 1 1 97 97 ARG CA C 97 58.669 58.669 58.345 0.324 19510 7369 1 14 . 1 1 97 97 ARG CB C 97 28.932 28.932 28.945 -0.014 19510 7370 1 14 . 1 1 97 97 ARG H H 97 8.073 8.073 7.690 0.383 19510 7371 1 14 . 1 1 98 98 GLU N N 98 118.029 118.029 119.657 -1.628 19510 7372 1 14 . 1 1 98 98 GLU HA H 98 4.180 4.180 4.146 0.034 19510 7373 1 14 . 1 1 98 98 GLU C C 98 178.865 178.865 178.780 0.085 19510 7374 1 14 . 1 1 98 98 GLU CA C 98 57.867 57.867 58.845 -0.978 19510 7375 1 14 . 1 1 98 98 GLU CB C 98 27.704 27.704 29.558 -1.854 19510 7376 1 14 . 1 1 98 98 GLU H H 98 7.896 7.896 7.996 -0.100 19510 7377 1 14 . 1 1 99 99 GLN N N 99 119.735 119.735 118.962 0.773 19510 7378 1 14 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.046 0.139 19510 7379 1 14 . 1 1 99 99 GLN C C 99 178.146 178.146 178.986 -0.840 19510 7380 1 14 . 1 1 99 99 GLN CA C 99 57.748 57.748 58.898 -1.149 19510 7381 1 14 . 1 1 99 99 GLN CB C 99 27.529 27.529 28.758 -1.229 19510 7382 1 14 . 1 1 99 99 GLN H H 99 8.320 8.320 7.870 0.450 19510 7383 1 14 . 1 1 100 100 ILE N N 100 119.676 119.676 120.178 -0.502 19510 7384 1 14 . 1 1 100 100 ILE HA H 100 3.993 3.993 4.152 -0.159 19510 7385 1 14 . 1 1 100 100 ILE C C 100 178.315 178.315 178.707 -0.392 19510 7386 1 14 . 1 1 100 100 ILE CA C 100 60.935 60.935 64.468 -3.533 19510 7387 1 14 . 1 1 100 100 ILE CB C 100 34.935 34.935 37.170 -2.235 19510 7388 1 14 . 1 1 100 100 ILE H H 100 8.398 8.398 7.516 0.882 19510 7389 1 14 . 1 1 101 101 ILE N N 101 120.600 120.600 114.639 5.961 19510 7390 1 14 . 1 1 101 101 ILE HA H 101 4.027 4.027 3.964 0.063 19510 7391 1 14 . 1 1 101 101 ILE C C 101 177.006 177.006 176.889 0.117 19510 7392 1 14 . 1 1 101 101 ILE CA C 101 62.382 62.382 63.316 -0.934 19510 7393 1 14 . 1 1 101 101 ILE CB C 101 36.195 36.195 37.450 -1.255 19510 7394 1 14 . 1 1 101 101 ILE H H 101 8.350 8.350 7.491 0.859 19510 7395 1 14 . 1 1 102 102 SER N N 102 116.172 116.172 113.764 2.408 19510 7396 1 14 . 1 1 102 102 SER HA H 102 4.589 4.589 4.665 -0.076 19510 7397 1 14 . 1 1 102 102 SER C C 102 173.845 173.845 174.666 -0.821 19510 7398 1 14 . 1 1 102 102 SER CA C 102 58.735 58.735 58.107 0.628 19510 7399 1 14 . 1 1 102 102 SER CB C 102 62.254 62.254 63.425 -1.171 19510 7400 1 14 . 1 1 102 102 SER H H 102 7.896 7.896 7.777 0.119 19510 7401 1 14 . 1 1 103 103 GLU N N 103 122.642 122.642 120.371 2.271 19510 7402 1 14 . 1 1 103 103 GLU HA H 103 4.473 4.473 4.553 -0.080 19510 7403 1 14 . 1 1 103 103 GLU C C 103 175.095 175.095 175.402 -0.307 19510 7404 1 14 . 1 1 103 103 GLU CA C 103 55.006 55.006 55.846 -0.840 19510 7405 1 14 . 1 1 103 103 GLU CB C 103 28.770 28.770 30.941 -2.171 19510 7406 1 14 . 1 1 103 103 GLU H H 103 7.780 7.780 7.859 -0.079 19510 7407 1 15 . 1 1 4 4 PHE N N 4 122.548 122.548 119.889 2.659 19510 7408 1 15 . 1 1 4 4 PHE HA H 4 4.680 4.680 4.482 0.198 19510 7409 1 15 . 1 1 4 4 PHE CA C 4 57.087 57.087 56.833 0.254 19510 7410 1 15 . 1 1 4 4 PHE CB C 4 38.126 38.126 39.343 -1.217 19510 7411 1 15 . 1 1 4 4 PHE H H 4 8.328 8.328 7.651 0.677 19510 7412 1 15 . 1 1 7 7 ARG N N 7 121.962 121.962 122.583 -0.621 19510 7413 1 15 . 1 1 7 7 ARG HA H 7 4.265 4.265 4.310 -0.045 19510 7414 1 15 . 1 1 7 7 ARG C C 7 176.683 176.683 176.232 0.451 19510 7415 1 15 . 1 1 7 7 ARG CA C 7 56.502 56.502 56.401 0.101 19510 7416 1 15 . 1 1 7 7 ARG CB C 7 28.840 28.840 30.637 -1.797 19510 7417 1 15 . 1 1 7 7 ARG H H 7 8.339 8.339 8.289 0.050 19510 7418 1 15 . 1 1 8 8 GLU N N 8 121.095 121.095 121.094 0.001 19510 7419 1 15 . 1 1 8 8 GLU HA H 8 4.233 4.233 4.210 0.023 19510 7420 1 15 . 1 1 8 8 GLU C C 8 176.964 176.964 177.338 -0.374 19510 7421 1 15 . 1 1 8 8 GLU CA C 8 57.517 57.517 58.268 -0.751 19510 7422 1 15 . 1 1 8 8 GLU CB C 8 27.744 27.744 29.849 -2.105 19510 7423 1 15 . 1 1 8 8 GLU H H 8 8.384 8.384 8.713 -0.329 19510 7424 1 15 . 1 1 9 9 ARG N N 9 121.320 121.320 117.040 4.280 19510 7425 1 15 . 1 1 9 9 ARG HA H 9 4.310 4.310 4.407 -0.097 19510 7426 1 15 . 1 1 9 9 ARG C C 9 176.563 176.563 174.843 1.720 19510 7427 1 15 . 1 1 9 9 ARG CA C 9 56.233 56.233 56.132 0.101 19510 7428 1 15 . 1 1 9 9 ARG CB C 9 28.977 28.977 31.615 -2.638 19510 7429 1 15 . 1 1 9 9 ARG H H 9 8.291 8.291 7.879 0.412 19510 7430 1 15 . 1 1 10 10 ALA N N 10 123.900 123.900 123.087 0.813 19510 7431 1 15 . 1 1 10 10 ALA HA H 10 4.333 4.333 4.198 0.135 19510 7432 1 15 . 1 1 10 10 ALA C C 10 178.129 178.129 175.294 2.835 19510 7433 1 15 . 1 1 10 10 ALA CA C 10 52.348 52.348 52.693 -0.345 19510 7434 1 15 . 1 1 10 10 ALA CB C 10 17.396 17.396 18.129 -0.733 19510 7435 1 15 . 1 1 10 10 ALA H H 10 8.225 8.225 8.352 -0.127 19510 7436 1 15 . 1 1 11 11 HIS N N 11 117.829 117.829 117.143 0.686 19510 7437 1 15 . 1 1 11 11 HIS HA H 11 4.740 4.740 4.768 -0.028 19510 7438 1 15 . 1 1 11 11 HIS C C 11 175.013 175.013 173.748 1.265 19510 7439 1 15 . 1 1 11 11 HIS CA C 11 55.041 55.041 54.516 0.525 19510 7440 1 15 . 1 1 11 11 HIS CB C 11 27.391 27.391 31.082 -3.691 19510 7441 1 15 . 1 1 11 11 HIS H H 11 8.500 8.500 7.876 0.624 19510 7442 1 15 . 1 1 12 12 GLU N N 12 121.398 121.398 117.997 3.401 19510 7443 1 15 . 1 1 12 12 GLU HA H 12 4.326 4.326 3.925 0.401 19510 7444 1 15 . 1 1 12 12 GLU C C 12 176.808 176.808 175.856 0.952 19510 7445 1 15 . 1 1 12 12 GLU CA C 12 56.517 56.517 56.657 -0.140 19510 7446 1 15 . 1 1 12 12 GLU CB C 12 28.289 28.289 27.359 0.930 19510 7447 1 15 . 1 1 12 12 GLU H H 12 8.456 8.456 8.115 0.341 19510 7448 1 15 . 1 1 13 13 ALA N N 13 124.231 124.231 123.287 0.944 19510 7449 1 15 . 1 1 13 13 ALA HA H 13 4.309 4.309 4.065 0.244 19510 7450 1 15 . 1 1 13 13 ALA C C 13 178.197 178.197 177.184 1.013 19510 7451 1 15 . 1 1 13 13 ALA CA C 13 53.511 53.511 53.504 0.007 19510 7452 1 15 . 1 1 13 13 ALA CB C 13 17.174 17.174 17.825 -0.651 19510 7453 1 15 . 1 1 13 13 ALA H H 13 8.444 8.444 8.374 0.070 19510 7454 1 15 . 1 1 14 14 LYS N N 14 120.159 120.159 117.398 2.761 19510 7455 1 15 . 1 1 14 14 LYS HA H 14 4.257 4.257 4.453 -0.196 19510 7456 1 15 . 1 1 14 14 LYS C C 14 176.757 176.757 177.921 -1.164 19510 7457 1 15 . 1 1 14 14 LYS CA C 14 56.461 56.461 55.723 0.738 19510 7458 1 15 . 1 1 14 14 LYS CB C 14 31.191 31.191 33.102 -1.911 19510 7459 1 15 . 1 1 14 14 LYS H H 14 8.136 8.136 8.102 0.034 19510 7460 1 15 . 1 1 15 15 PHE N N 15 118.588 118.588 120.774 -2.186 19510 7461 1 15 . 1 1 15 15 PHE HA H 15 4.527 4.527 4.259 0.268 19510 7462 1 15 . 1 1 15 15 PHE C C 15 175.635 175.635 176.629 -0.994 19510 7463 1 15 . 1 1 15 15 PHE CA C 15 57.992 57.992 59.910 -1.918 19510 7464 1 15 . 1 1 15 15 PHE CB C 15 37.908 37.908 38.210 -0.302 19510 7465 1 15 . 1 1 15 15 PHE H H 15 7.998 7.998 8.349 -0.351 19510 7466 1 15 . 1 1 16 16 ALA N N 16 122.847 122.847 119.475 3.372 19510 7467 1 15 . 1 1 16 16 ALA HA H 16 4.317 4.317 4.274 0.043 19510 7468 1 15 . 1 1 16 16 ALA C C 16 177.641 177.641 177.224 0.417 19510 7469 1 15 . 1 1 16 16 ALA CA C 16 52.317 52.317 53.068 -0.751 19510 7470 1 15 . 1 1 16 16 ALA CB C 16 17.378 17.378 18.584 -1.206 19510 7471 1 15 . 1 1 16 16 ALA H H 16 8.172 8.172 7.984 0.188 19510 7472 1 15 . 1 1 17 17 HIS N N 17 115.904 115.904 118.088 -2.184 19510 7473 1 15 . 1 1 17 17 HIS HA H 17 4.839 4.839 4.742 0.097 19510 7474 1 15 . 1 1 17 17 HIS CA C 17 54.594 54.594 56.183 -1.589 19510 7475 1 15 . 1 1 17 17 HIS CB C 17 27.532 27.532 32.566 -5.034 19510 7476 1 15 . 1 1 17 17 HIS H H 17 8.218 8.218 7.901 0.317 19510 7477 1 15 . 1 1 18 18 ASP N N 18 121.432 121.432 120.468 0.964 19510 7478 1 15 . 1 1 18 18 ASP HA H 18 4.758 4.758 4.438 0.320 19510 7479 1 15 . 1 1 18 18 ASP CA C 18 53.004 53.004 55.203 -2.199 19510 7480 1 15 . 1 1 18 18 ASP CB C 18 39.571 39.571 40.904 -1.333 19510 7481 1 15 . 1 1 18 18 ASP H H 18 8.103 8.103 8.320 -0.217 19510 7482 1 15 . 1 1 19 19 ALA N N 19 126.628 126.628 120.910 5.718 19510 7483 1 15 . 1 1 19 19 ALA HA H 19 4.303 4.303 4.258 0.045 19510 7484 1 15 . 1 1 19 19 ALA CA C 19 53.177 53.177 52.578 0.599 19510 7485 1 15 . 1 1 19 19 ALA CB C 19 17.231 17.231 19.585 -2.354 19510 7486 1 15 . 1 1 19 19 ALA H H 19 8.588 8.588 8.102 0.486 19510 7487 1 15 . 1 1 20 20 GLU N N 20 119.826 119.826 120.291 -0.465 19510 7488 1 15 . 1 1 20 20 GLU HA H 20 4.314 4.314 4.248 0.066 19510 7489 1 15 . 1 1 20 20 GLU CA C 20 57.403 57.403 59.313 -1.910 19510 7490 1 15 . 1 1 20 20 GLU CB C 20 27.780 27.780 29.110 -1.331 19510 7491 1 15 . 1 1 20 20 GLU H H 20 8.391 8.391 8.774 -0.383 19510 7492 1 15 . 1 1 21 21 LEU N N 21 122.268 122.268 115.900 6.368 19510 7493 1 15 . 1 1 21 21 LEU HA H 21 4.179 4.179 4.147 0.032 19510 7494 1 15 . 1 1 21 21 LEU CA C 21 56.531 56.531 57.402 -0.871 19510 7495 1 15 . 1 1 21 21 LEU CB C 21 40.255 40.255 41.515 -1.260 19510 7496 1 15 . 1 1 21 21 LEU H H 21 8.134 8.134 8.267 -0.133 19510 7497 1 15 . 1 1 22 22 ASN N N 22 118.005 118.005 116.265 1.740 19510 7498 1 15 . 1 1 22 22 ASN HA H 22 4.665 4.665 3.270 1.395 19510 7499 1 15 . 1 1 22 22 ASN CA C 22 55.493 55.493 54.418 1.075 19510 7500 1 15 . 1 1 22 22 ASN CB C 22 37.084 37.084 38.401 -1.317 19510 7501 1 15 . 1 1 22 22 ASN H H 22 8.456 8.456 7.434 1.022 19510 7502 1 15 . 1 1 23 23 PHE N N 23 121.379 121.379 121.383 -0.004 19510 7503 1 15 . 1 1 23 23 PHE HA H 23 4.509 4.509 4.367 0.142 19510 7504 1 15 . 1 1 23 23 PHE CA C 23 59.496 59.496 59.492 0.004 19510 7505 1 15 . 1 1 23 23 PHE CB C 23 37.380 37.380 38.661 -1.282 19510 7506 1 15 . 1 1 23 23 PHE H H 23 8.453 8.453 8.445 0.008 19510 7507 1 15 . 1 1 24 24 LYS N N 24 120.674 120.674 117.803 2.871 19510 7508 1 15 . 1 1 24 24 LYS HA H 24 4.191 4.191 3.812 0.379 19510 7509 1 15 . 1 1 24 24 LYS C C 24 179.309 179.309 178.694 0.615 19510 7510 1 15 . 1 1 24 24 LYS CA C 24 58.132 58.132 59.469 -1.337 19510 7511 1 15 . 1 1 24 24 LYS CB C 24 31.828 31.828 31.708 0.120 19510 7512 1 15 . 1 1 24 24 LYS H H 24 8.504 8.504 7.617 0.887 19510 7513 1 15 . 1 1 25 25 ALA N N 25 123.584 123.584 123.097 0.487 19510 7514 1 15 . 1 1 25 25 ALA HA H 25 4.146 4.146 4.254 -0.108 19510 7515 1 15 . 1 1 25 25 ALA C C 25 178.243 178.243 180.251 -2.008 19510 7516 1 15 . 1 1 25 25 ALA CA C 25 53.760 53.760 54.512 -0.752 19510 7517 1 15 . 1 1 25 25 ALA CB C 25 16.827 16.827 19.006 -2.179 19510 7518 1 15 . 1 1 25 25 ALA H H 25 8.841 8.841 7.753 1.088 19510 7519 1 15 . 1 1 26 26 GLU N N 26 122.239 122.239 116.958 5.281 19510 7520 1 15 . 1 1 26 26 GLU HA H 26 4.083 4.083 4.117 -0.034 19510 7521 1 15 . 1 1 26 26 GLU C C 26 177.265 177.265 176.621 0.644 19510 7522 1 15 . 1 1 26 26 GLU CA C 26 57.850 57.850 58.230 -0.380 19510 7523 1 15 . 1 1 26 26 GLU CB C 26 28.891 28.891 29.504 -0.613 19510 7524 1 15 . 1 1 26 26 GLU H H 26 8.482 8.482 8.240 0.242 19510 7525 1 15 . 1 1 27 27 ALA N N 27 122.124 122.124 120.170 1.954 19510 7526 1 15 . 1 1 27 27 ALA HA H 27 4.352 4.352 4.617 -0.265 19510 7527 1 15 . 1 1 27 27 ALA C C 27 180.552 180.552 177.834 2.718 19510 7528 1 15 . 1 1 27 27 ALA CA C 27 53.519 53.519 51.054 2.465 19510 7529 1 15 . 1 1 27 27 ALA CB C 27 16.410 16.410 19.290 -2.880 19510 7530 1 15 . 1 1 27 27 ALA H H 27 8.043 8.043 7.437 0.606 19510 7531 1 15 . 1 1 28 28 ARG N N 28 120.375 120.375 119.447 0.928 19510 7532 1 15 . 1 1 28 28 ARG HA H 28 4.441 4.441 4.219 0.222 19510 7533 1 15 . 1 1 28 28 ARG C C 28 176.309 176.309 178.328 -2.019 19510 7534 1 15 . 1 1 28 28 ARG CA C 28 55.369 55.369 57.130 -1.761 19510 7535 1 15 . 1 1 28 28 ARG CB C 28 28.480 28.480 30.134 -1.655 19510 7536 1 15 . 1 1 28 28 ARG H H 28 8.101 8.101 8.173 -0.072 19510 7537 1 15 . 1 1 29 29 ARG N N 29 122.734 122.734 120.140 2.594 19510 7538 1 15 . 1 1 29 29 ARG HA H 29 3.743 3.743 3.998 -0.255 19510 7539 1 15 . 1 1 29 29 ARG CA C 29 58.672 58.672 59.899 -1.227 19510 7540 1 15 . 1 1 29 29 ARG CB C 29 29.051 29.051 29.618 -0.567 19510 7541 1 15 . 1 1 29 29 ARG H H 29 8.901 8.901 8.314 0.587 19510 7542 1 15 . 1 1 30 30 ASN N N 30 119.961 119.961 114.236 5.725 19510 7543 1 15 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.662 -0.028 19510 7544 1 15 . 1 1 30 30 ASN C C 30 175.888 175.888 176.711 -0.823 19510 7545 1 15 . 1 1 30 30 ASN CA C 30 55.147 55.147 55.143 0.004 19510 7546 1 15 . 1 1 30 30 ASN CB C 30 35.418 35.418 38.096 -2.678 19510 7547 1 15 . 1 1 30 30 ASN H H 30 8.429 8.429 8.529 -0.100 19510 7548 1 15 . 1 1 31 31 ARG N N 31 123.400 123.400 120.935 2.465 19510 7549 1 15 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.134 0.148 19510 7550 1 15 . 1 1 31 31 ARG C C 31 177.804 177.804 177.760 0.044 19510 7551 1 15 . 1 1 31 31 ARG CA C 31 58.132 58.132 58.428 -0.296 19510 7552 1 15 . 1 1 31 31 ARG CB C 31 27.636 27.636 30.186 -2.550 19510 7553 1 15 . 1 1 31 31 ARG H H 31 8.052 8.052 7.666 0.386 19510 7554 1 15 . 1 1 32 32 LEU N N 32 119.872 119.872 116.915 2.957 19510 7555 1 15 . 1 1 32 32 LEU HA H 32 4.318 4.318 4.491 -0.173 19510 7556 1 15 . 1 1 32 32 LEU C C 32 180.602 180.602 178.111 2.491 19510 7557 1 15 . 1 1 32 32 LEU CA C 32 56.471 56.471 56.099 0.372 19510 7558 1 15 . 1 1 32 32 LEU CB C 32 40.558 40.558 40.703 -0.145 19510 7559 1 15 . 1 1 32 32 LEU H H 32 8.752 8.752 7.550 1.202 19510 7560 1 15 . 1 1 33 33 LEU N N 33 124.468 124.468 119.649 4.819 19510 7561 1 15 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.227 0.074 19510 7562 1 15 . 1 1 33 33 LEU C C 33 177.992 177.992 178.353 -0.361 19510 7563 1 15 . 1 1 33 33 LEU CA C 33 56.482 56.482 56.595 -0.113 19510 7564 1 15 . 1 1 33 33 LEU CB C 33 41.626 41.626 40.987 0.639 19510 7565 1 15 . 1 1 33 33 LEU H H 33 9.273 9.273 7.524 1.749 19510 7566 1 15 . 1 1 34 34 GLY N N 34 109.045 109.045 105.864 3.181 19510 7567 1 15 . 1 1 34 34 GLY C C 34 174.530 174.530 175.788 -1.258 19510 7568 1 15 . 1 1 34 34 GLY CA C 34 45.447 45.447 46.726 -1.279 19510 7569 1 15 . 1 1 34 34 GLY H H 34 8.907 8.907 8.030 0.877 19510 7570 1 15 . 1 1 35 35 GLU N N 35 123.414 123.414 121.951 1.463 19510 7571 1 15 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.168 0.009 19510 7572 1 15 . 1 1 35 35 GLU C C 35 178.866 178.866 178.787 0.079 19510 7573 1 15 . 1 1 35 35 GLU CA C 35 59.564 59.564 58.621 0.943 19510 7574 1 15 . 1 1 35 35 GLU CB C 35 27.692 27.692 29.485 -1.793 19510 7575 1 15 . 1 1 35 35 GLU H H 35 8.935 8.935 7.765 1.170 19510 7576 1 15 . 1 1 36 36 TRP N N 36 124.774 124.774 121.833 2.941 19510 7577 1 15 . 1 1 36 36 TRP HA H 36 4.604 4.604 4.265 0.339 19510 7578 1 15 . 1 1 36 36 TRP C C 36 177.618 177.618 177.642 -0.024 19510 7579 1 15 . 1 1 36 36 TRP CA C 36 58.867 58.867 60.401 -1.534 19510 7580 1 15 . 1 1 36 36 TRP CB C 36 26.021 26.021 29.101 -3.080 19510 7581 1 15 . 1 1 36 36 TRP H H 36 8.531 8.531 7.649 0.882 19510 7582 1 15 . 1 1 37 37 ALA N N 37 123.777 123.777 120.845 2.932 19510 7583 1 15 . 1 1 37 37 ALA HA H 37 3.403 3.403 3.101 0.302 19510 7584 1 15 . 1 1 37 37 ALA C C 37 177.427 177.427 179.155 -1.728 19510 7585 1 15 . 1 1 37 37 ALA CA C 37 53.148 53.148 54.070 -0.922 19510 7586 1 15 . 1 1 37 37 ALA CB C 37 18.440 18.440 17.776 0.663 19510 7587 1 15 . 1 1 37 37 ALA H H 37 9.141 9.141 7.690 1.451 19510 7588 1 15 . 1 1 38 38 ALA N N 38 119.259 119.259 120.857 -1.598 19510 7589 1 15 . 1 1 38 38 ALA HA H 38 3.523 3.523 3.707 -0.184 19510 7590 1 15 . 1 1 38 38 ALA C C 38 178.670 178.670 179.705 -1.035 19510 7591 1 15 . 1 1 38 38 ALA CA C 38 53.882 53.882 55.326 -1.444 19510 7592 1 15 . 1 1 38 38 ALA CB C 38 17.083 17.083 18.035 -0.952 19510 7593 1 15 . 1 1 38 38 ALA H H 38 8.788 8.788 8.739 0.049 19510 7594 1 15 . 1 1 39 39 GLY N N 39 104.011 104.011 106.530 -2.519 19510 7595 1 15 . 1 1 39 39 GLY C C 39 177.232 177.232 176.085 1.147 19510 7596 1 15 . 1 1 39 39 GLY CA C 39 45.519 45.519 46.979 -1.460 19510 7597 1 15 . 1 1 39 39 GLY H H 39 7.756 7.756 7.778 -0.022 19510 7598 1 15 . 1 1 40 40 LEU N N 40 125.340 125.340 121.498 3.842 19510 7599 1 15 . 1 1 40 40 LEU HA H 40 4.111 4.111 3.955 0.156 19510 7600 1 15 . 1 1 40 40 LEU C C 40 178.203 178.203 178.588 -0.385 19510 7601 1 15 . 1 1 40 40 LEU CA C 40 56.123 56.123 57.246 -1.123 19510 7602 1 15 . 1 1 40 40 LEU CB C 40 40.764 40.764 41.576 -0.812 19510 7603 1 15 . 1 1 40 40 LEU H H 40 7.511 7.511 7.219 0.292 19510 7604 1 15 . 1 1 41 41 LEU N N 41 117.234 117.234 116.588 0.646 19510 7605 1 15 . 1 1 41 41 LEU HA H 41 4.139 4.139 4.066 0.074 19510 7606 1 15 . 1 1 41 41 LEU C C 41 176.119 176.119 177.618 -1.499 19510 7607 1 15 . 1 1 41 41 LEU CA C 41 53.213 53.213 55.947 -2.734 19510 7608 1 15 . 1 1 41 41 LEU CB C 41 41.092 41.092 41.736 -0.644 19510 7609 1 15 . 1 1 41 41 LEU H H 41 7.692 7.692 8.197 -0.505 19510 7610 1 15 . 1 1 42 42 GLY N N 42 109.595 109.595 106.359 3.236 19510 7611 1 15 . 1 1 42 42 GLY C C 42 173.775 173.775 173.890 -0.115 19510 7612 1 15 . 1 1 42 42 GLY CA C 42 44.409 44.409 45.171 -0.762 19510 7613 1 15 . 1 1 42 42 GLY H H 42 7.896 7.896 7.493 0.403 19510 7614 1 15 . 1 1 43 43 LYS N N 43 119.965 119.965 121.142 -1.177 19510 7615 1 15 . 1 1 43 43 LYS HA H 43 4.737 4.737 4.637 0.100 19510 7616 1 15 . 1 1 43 43 LYS C C 43 175.246 175.246 175.234 0.012 19510 7617 1 15 . 1 1 43 43 LYS CA C 43 54.189 54.189 55.084 -0.895 19510 7618 1 15 . 1 1 43 43 LYS CB C 43 33.208 33.208 34.427 -1.219 19510 7619 1 15 . 1 1 43 43 LYS H H 43 8.104 8.104 8.191 -0.087 19510 7620 1 15 . 1 1 44 44 THR N N 44 114.199 114.199 112.645 1.554 19510 7621 1 15 . 1 1 44 44 THR HA H 44 4.773 4.773 4.674 0.099 19510 7622 1 15 . 1 1 44 44 THR C C 44 174.392 174.392 175.268 -0.876 19510 7623 1 15 . 1 1 44 44 THR CA C 44 58.348 58.348 60.279 -1.931 19510 7624 1 15 . 1 1 44 44 THR CB C 44 70.921 70.921 71.652 -0.731 19510 7625 1 15 . 1 1 44 44 THR H H 44 8.958 8.958 8.086 0.872 19510 7626 1 15 . 1 1 45 45 GLY N N 45 109.657 109.657 112.309 -2.652 19510 7627 1 15 . 1 1 45 45 GLY C C 45 175.330 175.330 174.927 0.403 19510 7628 1 15 . 1 1 45 45 GLY CA C 45 45.315 45.315 46.712 -1.397 19510 7629 1 15 . 1 1 45 45 GLY H H 45 8.885 8.885 8.664 0.221 19510 7630 1 15 . 1 1 46 46 ASP N N 46 128.403 128.403 124.453 3.950 19510 7631 1 15 . 1 1 46 46 ASP HA H 46 4.561 4.561 4.564 -0.003 19510 7632 1 15 . 1 1 46 46 ASP C C 46 177.343 177.343 177.842 -0.499 19510 7633 1 15 . 1 1 46 46 ASP CA C 46 55.829 55.829 56.688 -0.859 19510 7634 1 15 . 1 1 46 46 ASP CB C 46 39.039 39.039 41.049 -2.010 19510 7635 1 15 . 1 1 46 46 ASP H H 46 9.318 9.318 8.432 0.886 19510 7636 1 15 . 1 1 47 47 ASP N N 47 121.367 121.367 119.340 2.027 19510 7637 1 15 . 1 1 47 47 ASP HA H 47 4.668 4.668 4.452 0.216 19510 7638 1 15 . 1 1 47 47 ASP CA C 47 55.545 55.545 57.287 -1.742 19510 7639 1 15 . 1 1 47 47 ASP CB C 47 39.415 39.415 41.116 -1.701 19510 7640 1 15 . 1 1 47 47 ASP H H 47 8.521 8.521 8.023 0.498 19510 7641 1 15 . 1 1 48 48 ALA N N 48 123.210 123.210 122.424 0.786 19510 7642 1 15 . 1 1 48 48 ALA HA H 48 3.940 3.940 4.064 -0.124 19510 7643 1 15 . 1 1 48 48 ALA CA C 48 53.331 53.331 55.203 -1.872 19510 7644 1 15 . 1 1 48 48 ALA CB C 48 16.036 16.036 18.583 -2.547 19510 7645 1 15 . 1 1 48 48 ALA H H 48 7.262 7.262 7.557 -0.295 19510 7646 1 15 . 1 1 49 49 ARG N N 49 120.088 120.088 119.738 0.350 19510 7647 1 15 . 1 1 49 49 ARG HA H 49 4.126 4.126 4.000 0.126 19510 7648 1 15 . 1 1 49 49 ARG CA C 49 57.876 57.876 59.189 -1.313 19510 7649 1 15 . 1 1 49 49 ARG CB C 49 28.774 28.774 30.303 -1.530 19510 7650 1 15 . 1 1 49 49 ARG H H 49 7.805 7.805 7.725 0.080 19510 7651 1 15 . 1 1 50 50 ALA N N 50 121.061 121.061 121.120 -0.059 19510 7652 1 15 . 1 1 50 50 ALA HA H 50 4.218 4.218 4.092 0.126 19510 7653 1 15 . 1 1 50 50 ALA CA C 50 53.399 53.399 54.763 -1.364 19510 7654 1 15 . 1 1 50 50 ALA CB C 50 16.672 16.672 18.023 -1.351 19510 7655 1 15 . 1 1 50 50 ALA H H 50 8.387 8.387 8.255 0.132 19510 7656 1 15 . 1 1 51 51 TYR N N 51 119.264 119.264 121.326 -2.062 19510 7657 1 15 . 1 1 51 51 TYR HA H 51 4.231 4.231 4.012 0.219 19510 7658 1 15 . 1 1 51 51 TYR C C 51 178.335 178.335 177.641 0.694 19510 7659 1 15 . 1 1 51 51 TYR CA C 51 60.493 60.493 60.784 -0.291 19510 7660 1 15 . 1 1 51 51 TYR CB C 51 37.094 37.094 38.211 -1.117 19510 7661 1 15 . 1 1 51 51 TYR H H 51 8.095 8.095 8.664 -0.569 19510 7662 1 15 . 1 1 52 52 ALA N N 52 124.002 124.002 120.119 3.883 19510 7663 1 15 . 1 1 52 52 ALA HA H 52 3.899 3.899 3.748 0.151 19510 7664 1 15 . 1 1 52 52 ALA C C 52 178.352 178.352 178.437 -0.085 19510 7665 1 15 . 1 1 52 52 ALA CA C 52 54.394 54.394 54.561 -0.167 19510 7666 1 15 . 1 1 52 52 ALA CB C 52 16.369 16.369 18.382 -2.013 19510 7667 1 15 . 1 1 52 52 ALA H H 52 8.651 8.651 8.140 0.511 19510 7668 1 15 . 1 1 53 53 LEU N N 53 116.593 116.593 113.564 3.029 19510 7669 1 15 . 1 1 53 53 LEU HA H 53 4.301 4.301 4.166 0.135 19510 7670 1 15 . 1 1 53 53 LEU C C 53 177.452 177.452 178.222 -0.770 19510 7671 1 15 . 1 1 53 53 LEU CA C 53 55.412 55.412 56.316 -0.904 19510 7672 1 15 . 1 1 53 53 LEU CB C 53 40.510 40.510 42.091 -1.581 19510 7673 1 15 . 1 1 53 53 LEU H H 53 7.664 7.664 7.477 0.187 19510 7674 1 15 . 1 1 54 54 THR N N 54 110.998 110.998 111.576 -0.578 19510 7675 1 15 . 1 1 54 54 THR HA H 54 4.401 4.401 4.418 -0.017 19510 7676 1 15 . 1 1 54 54 THR CA C 54 61.997 61.997 62.624 -0.627 19510 7677 1 15 . 1 1 54 54 THR CB C 54 67.988 67.988 70.123 -2.135 19510 7678 1 15 . 1 1 54 54 THR H H 54 7.962 7.962 7.594 0.368 19510 7679 1 15 . 1 1 55 55 VAL N N 55 123.907 123.907 121.775 2.132 19510 7680 1 15 . 1 1 55 55 VAL HA H 55 3.869 3.869 3.886 -0.017 19510 7681 1 15 . 1 1 55 55 VAL CA C 55 62.373 62.373 62.185 0.188 19510 7682 1 15 . 1 1 55 55 VAL CB C 55 29.037 29.037 31.801 -2.764 19510 7683 1 15 . 1 1 55 55 VAL H H 55 7.217 7.217 7.426 -0.209 19510 7684 1 15 . 1 1 56 56 VAL N N 56 119.176 119.176 119.617 -0.441 19510 7685 1 15 . 1 1 56 56 VAL HA H 56 4.300 4.300 3.995 0.305 19510 7686 1 15 . 1 1 56 56 VAL CA C 56 55.363 55.363 63.038 -7.675 19510 7687 1 15 . 1 1 56 56 VAL CB C 56 32.466 32.466 30.601 1.865 19510 7688 1 15 . 1 1 56 56 VAL H H 56 7.474 7.474 7.188 0.286 19510 7689 1 15 . 1 1 57 57 THR N N 57 114.951 114.951 120.358 -5.407 19510 7690 1 15 . 1 1 57 57 THR HA H 57 4.509 4.509 4.325 0.184 19510 7691 1 15 . 1 1 57 57 THR CA C 57 60.698 60.698 63.082 -2.384 19510 7692 1 15 . 1 1 57 57 THR CB C 57 68.177 68.177 69.787 -1.610 19510 7693 1 15 . 1 1 57 57 THR H H 57 7.992 7.992 8.384 -0.392 19510 7694 1 15 . 1 1 58 58 SER N N 58 119.820 119.820 115.751 4.069 19510 7695 1 15 . 1 1 58 58 SER HA H 58 4.554 4.554 4.556 -0.002 19510 7696 1 15 . 1 1 58 58 SER CA C 58 57.409 57.409 58.624 -1.215 19510 7697 1 15 . 1 1 58 58 SER CB C 58 62.399 62.399 63.677 -1.278 19510 7698 1 15 . 1 1 58 58 SER H H 58 8.473 8.473 8.196 0.277 19510 7699 1 15 . 1 1 59 59 ASP N N 59 122.199 122.199 119.063 3.136 19510 7700 1 15 . 1 1 59 59 ASP HA H 59 4.762 4.762 5.168 -0.406 19510 7701 1 15 . 1 1 59 59 ASP C C 59 175.459 175.459 174.414 1.045 19510 7702 1 15 . 1 1 59 59 ASP CA C 59 52.469 52.469 53.566 -1.097 19510 7703 1 15 . 1 1 59 59 ASP CB C 59 39.455 39.455 42.387 -2.932 19510 7704 1 15 . 1 1 59 59 ASP H H 59 8.285 8.285 8.199 0.086 19510 7705 1 15 . 1 1 60 60 PHE HA H 60 4.182 4.182 4.583 -0.401 19510 7706 1 15 . 1 1 60 60 PHE CA C 60 59.253 59.253 59.433 -0.180 19510 7707 1 15 . 1 1 60 60 PHE CB C 60 35.163 35.163 40.611 -5.448 19510 7708 1 15 . 1 1 63 63 PRO HA H 63 4.606 4.606 4.266 0.340 19510 7709 1 15 . 1 1 63 63 PRO CA C 63 55.716 55.716 63.200 -7.484 19510 7710 1 15 . 1 1 63 63 PRO CB C 63 30.732 30.732 31.057 -0.325 19510 7711 1 15 . 1 1 64 64 GLY N N 64 110.382 110.382 113.858 -3.476 19510 7712 1 15 . 1 1 64 64 GLY CA C 64 44.280 44.280 45.660 -1.380 19510 7713 1 15 . 1 1 64 64 GLY H H 64 8.706 8.706 8.190 0.516 19510 7714 1 15 . 1 1 65 65 ASP N N 65 121.977 121.977 121.365 0.612 19510 7715 1 15 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.388 0.275 19510 7716 1 15 . 1 1 65 65 ASP CA C 65 55.765 55.765 54.998 0.767 19510 7717 1 15 . 1 1 65 65 ASP CB C 65 39.579 39.579 41.312 -1.733 19510 7718 1 15 . 1 1 65 65 ASP H H 65 8.661 8.661 7.910 0.751 19510 7719 1 15 . 1 1 66 66 GLU N N 66 120.065 120.065 117.483 2.582 19510 7720 1 15 . 1 1 66 66 GLU HA H 66 4.437 4.437 3.951 0.486 19510 7721 1 15 . 1 1 66 66 GLU CA C 66 57.520 57.520 56.932 0.588 19510 7722 1 15 . 1 1 66 66 GLU CB C 66 27.598 27.598 29.895 -2.297 19510 7723 1 15 . 1 1 66 66 GLU H H 66 8.643 8.643 8.155 0.488 19510 7724 1 15 . 1 1 67 67 ASP N N 67 120.033 120.033 116.499 3.534 19510 7725 1 15 . 1 1 67 67 ASP HA H 67 4.609 4.609 4.295 0.314 19510 7726 1 15 . 1 1 67 67 ASP CA C 67 55.601 55.601 56.870 -1.269 19510 7727 1 15 . 1 1 67 67 ASP CB C 67 39.106 39.106 39.648 -0.542 19510 7728 1 15 . 1 1 67 67 ASP H H 67 8.272 8.272 8.616 -0.344 19510 7729 1 15 . 1 1 68 68 VAL N N 68 123.206 123.206 120.117 3.089 19510 7730 1 15 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.701 0.116 19510 7731 1 15 . 1 1 68 68 VAL CA C 68 65.715 65.715 66.958 -1.243 19510 7732 1 15 . 1 1 68 68 VAL CB C 68 30.705 30.705 31.508 -0.803 19510 7733 1 15 . 1 1 68 68 VAL H H 68 8.045 8.045 8.153 -0.108 19510 7734 1 15 . 1 1 69 69 PHE N N 69 120.600 120.600 119.326 1.274 19510 7735 1 15 . 1 1 69 69 PHE HA H 69 4.158 4.158 4.404 -0.246 19510 7736 1 15 . 1 1 69 69 PHE CA C 69 61.013 61.013 61.353 -0.340 19510 7737 1 15 . 1 1 69 69 PHE CB C 69 37.455 37.455 38.892 -1.437 19510 7738 1 15 . 1 1 69 69 PHE H H 69 8.488 8.488 8.329 0.159 19510 7739 1 15 . 1 1 70 70 ARG N N 70 117.820 117.820 120.320 -2.500 19510 7740 1 15 . 1 1 70 70 ARG HA H 70 3.755 3.755 4.102 -0.347 19510 7741 1 15 . 1 1 70 70 ARG C C 70 178.813 178.813 178.475 0.338 19510 7742 1 15 . 1 1 70 70 ARG CA C 70 58.184 58.184 59.470 -1.286 19510 7743 1 15 . 1 1 70 70 ARG CB C 70 28.899 28.899 29.646 -0.747 19510 7744 1 15 . 1 1 70 70 ARG H H 70 8.611 8.611 8.535 0.076 19510 7745 1 15 . 1 1 71 71 LYS N N 71 121.726 121.726 119.207 2.519 19510 7746 1 15 . 1 1 71 71 LYS HA H 71 4.253 4.253 4.101 0.152 19510 7747 1 15 . 1 1 71 71 LYS C C 71 177.020 177.020 179.072 -2.052 19510 7748 1 15 . 1 1 71 71 LYS CA C 71 58.490 58.490 59.101 -0.611 19510 7749 1 15 . 1 1 71 71 LYS CB C 71 31.216 31.216 31.653 -0.437 19510 7750 1 15 . 1 1 71 71 LYS H H 71 7.686 7.686 8.219 -0.533 19510 7751 1 15 . 1 1 72 72 LEU N N 72 119.355 119.355 120.728 -1.373 19510 7752 1 15 . 1 1 72 72 LEU HA H 72 4.051 4.051 3.998 0.053 19510 7753 1 15 . 1 1 72 72 LEU C C 72 177.378 177.378 178.489 -1.111 19510 7754 1 15 . 1 1 72 72 LEU CA C 72 56.317 56.317 57.863 -1.546 19510 7755 1 15 . 1 1 72 72 LEU CB C 72 41.148 41.148 41.781 -0.633 19510 7756 1 15 . 1 1 72 72 LEU H H 72 8.215 8.215 7.542 0.673 19510 7757 1 15 . 1 1 73 73 ALA N N 73 121.106 121.106 119.908 1.198 19510 7758 1 15 . 1 1 73 73 ALA HA H 73 3.767 3.767 3.785 -0.018 19510 7759 1 15 . 1 1 73 73 ALA C C 73 179.644 179.644 178.866 0.778 19510 7760 1 15 . 1 1 73 73 ALA CA C 73 53.263 53.263 54.454 -1.191 19510 7761 1 15 . 1 1 73 73 ALA CB C 73 15.930 15.930 17.751 -1.821 19510 7762 1 15 . 1 1 73 73 ALA H H 73 9.143 9.143 8.110 1.033 19510 7763 1 15 . 1 1 74 74 ALA N N 74 119.383 119.383 121.751 -2.368 19510 7764 1 15 . 1 1 74 74 ALA HA H 74 4.384 4.384 3.954 0.430 19510 7765 1 15 . 1 1 74 74 ALA C C 74 179.752 179.752 179.615 0.137 19510 7766 1 15 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.473 -0.949 19510 7767 1 15 . 1 1 74 74 ALA CB C 74 17.094 17.094 18.457 -1.363 19510 7768 1 15 . 1 1 74 74 ALA H H 74 7.403 7.403 7.497 -0.094 19510 7769 1 15 . 1 1 75 75 ASP N N 75 120.226 120.226 119.436 0.790 19510 7770 1 15 . 1 1 75 75 ASP HA H 75 4.523 4.523 4.406 0.117 19510 7771 1 15 . 1 1 75 75 ASP C C 75 177.704 177.704 177.199 0.505 19510 7772 1 15 . 1 1 75 75 ASP CA C 75 55.312 55.312 56.771 -1.459 19510 7773 1 15 . 1 1 75 75 ASP CB C 75 38.326 38.326 41.205 -2.879 19510 7774 1 15 . 1 1 75 75 ASP H H 75 8.536 8.536 8.135 0.401 19510 7775 1 15 . 1 1 76 76 LEU N N 76 115.468 115.468 117.809 -2.341 19510 7776 1 15 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.457 -0.065 19510 7777 1 15 . 1 1 76 76 LEU C C 76 174.790 174.790 175.180 -0.390 19510 7778 1 15 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.145 -0.521 19510 7779 1 15 . 1 1 76 76 LEU CB C 76 39.594 39.594 43.121 -3.527 19510 7780 1 15 . 1 1 76 76 LEU H H 76 8.612 8.612 8.038 0.574 19510 7781 1 15 . 1 1 77 77 GLU N N 77 124.725 124.725 121.613 3.112 19510 7782 1 15 . 1 1 77 77 GLU HA H 77 4.343 4.343 4.043 0.300 19510 7783 1 15 . 1 1 77 77 GLU C C 77 176.953 176.953 177.018 -0.065 19510 7784 1 15 . 1 1 77 77 GLU CA C 77 57.345 57.345 58.273 -0.928 19510 7785 1 15 . 1 1 77 77 GLU CB C 77 27.555 27.555 29.296 -1.741 19510 7786 1 15 . 1 1 77 77 GLU H H 77 7.158 7.158 7.244 -0.086 19510 7787 1 15 . 1 1 78 78 GLY N N 78 118.105 118.105 114.194 3.911 19510 7788 1 15 . 1 1 78 78 GLY C C 78 173.075 173.075 175.083 -2.008 19510 7789 1 15 . 1 1 78 78 GLY CA C 78 44.269 44.269 45.564 -1.295 19510 7790 1 15 . 1 1 78 78 GLY H H 78 9.392 9.392 8.877 0.515 19510 7791 1 15 . 1 1 79 79 LYS N N 79 120.237 120.237 118.004 2.233 19510 7792 1 15 . 1 1 79 79 LYS HA H 79 4.663 4.663 4.636 0.027 19510 7793 1 15 . 1 1 79 79 LYS C C 79 175.050 175.050 175.341 -0.291 19510 7794 1 15 . 1 1 79 79 LYS CA C 79 54.683 54.683 55.209 -0.526 19510 7795 1 15 . 1 1 79 79 LYS CB C 79 33.435 33.435 33.282 0.153 19510 7796 1 15 . 1 1 79 79 LYS H H 79 8.809 8.809 8.310 0.499 19510 7797 1 15 . 1 1 80 80 ALA N N 80 121.135 121.135 122.635 -1.500 19510 7798 1 15 . 1 1 80 80 ALA HA H 80 4.893 4.893 4.713 0.180 19510 7799 1 15 . 1 1 80 80 ALA C C 80 174.051 174.051 175.018 -0.967 19510 7800 1 15 . 1 1 80 80 ALA CA C 80 50.289 50.289 51.544 -1.255 19510 7801 1 15 . 1 1 80 80 ALA CB C 80 20.483 20.483 21.107 -0.624 19510 7802 1 15 . 1 1 80 80 ALA H H 80 8.169 8.169 7.524 0.645 19510 7803 1 15 . 1 1 81 81 ASP N N 81 121.569 121.569 118.030 3.539 19510 7804 1 15 . 1 1 81 81 ASP HA H 81 4.898 4.898 5.037 -0.139 19510 7805 1 15 . 1 1 81 81 ASP CA C 81 50.397 50.397 53.508 -3.111 19510 7806 1 15 . 1 1 81 81 ASP CB C 81 40.401 40.401 44.287 -3.886 19510 7807 1 15 . 1 1 81 81 ASP H H 81 8.330 8.330 8.377 -0.047 19510 7808 1 15 . 1 1 82 82 GLU N N 82 119.843 119.843 120.207 -0.364 19510 7809 1 15 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.549 -0.364 19510 7810 1 15 . 1 1 82 82 GLU C C 82 177.350 177.350 177.855 -0.505 19510 7811 1 15 . 1 1 82 82 GLU CA C 82 59.676 59.676 59.208 0.468 19510 7812 1 15 . 1 1 82 82 GLU CB C 82 27.893 27.893 30.098 -2.205 19510 7813 1 15 . 1 1 82 82 GLU H H 82 8.923 8.923 8.855 0.068 19510 7814 1 15 . 1 1 83 83 GLU N N 83 119.348 119.348 115.746 3.602 19510 7815 1 15 . 1 1 83 83 GLU HA H 83 4.177 4.177 4.535 -0.358 19510 7816 1 15 . 1 1 83 83 GLU C C 83 178.794 178.794 177.306 1.488 19510 7817 1 15 . 1 1 83 83 GLU CA C 83 59.082 59.082 56.819 2.263 19510 7818 1 15 . 1 1 83 83 GLU CB C 83 28.879 28.879 30.007 -1.128 19510 7819 1 15 . 1 1 83 83 GLU H H 83 8.832 8.832 8.536 0.296 19510 7820 1 15 . 1 1 84 84 THR N N 84 119.892 119.892 116.291 3.601 19510 7821 1 15 . 1 1 84 84 THR HA H 84 4.140 4.140 4.240 -0.100 19510 7822 1 15 . 1 1 84 84 THR C C 84 176.165 176.165 176.610 -0.445 19510 7823 1 15 . 1 1 84 84 THR CA C 84 65.721 65.721 65.565 0.156 19510 7824 1 15 . 1 1 84 84 THR CB C 84 66.751 66.751 69.499 -2.748 19510 7825 1 15 . 1 1 84 84 THR H H 84 8.576 8.576 7.658 0.918 19510 7826 1 15 . 1 1 85 85 ILE N N 85 123.655 123.655 121.557 2.098 19510 7827 1 15 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.699 0.120 19510 7828 1 15 . 1 1 85 85 ILE C C 85 174.809 174.809 176.319 -1.510 19510 7829 1 15 . 1 1 85 85 ILE CA C 85 64.891 64.891 65.541 -0.650 19510 7830 1 15 . 1 1 85 85 ILE CB C 85 37.797 37.797 37.791 0.006 19510 7831 1 15 . 1 1 85 85 ILE H H 85 8.572 8.572 7.872 0.700 19510 7832 1 15 . 1 1 86 86 ARG N N 86 119.670 119.670 119.076 0.594 19510 7833 1 15 . 1 1 86 86 ARG HA H 86 4.186 4.186 2.896 1.290 19510 7834 1 15 . 1 1 86 86 ARG CA C 86 58.766 58.766 58.446 0.320 19510 7835 1 15 . 1 1 86 86 ARG CB C 86 28.165 28.165 29.149 -0.984 19510 7836 1 15 . 1 1 86 86 ARG H H 86 9.092 9.092 8.537 0.555 19510 7837 1 15 . 1 1 87 87 ALA N N 87 121.431 121.431 118.921 2.510 19510 7838 1 15 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.353 -0.046 19510 7839 1 15 . 1 1 87 87 ALA CA C 87 53.558 53.558 52.611 0.947 19510 7840 1 15 . 1 1 87 87 ALA CB C 87 16.382 16.382 18.589 -2.207 19510 7841 1 15 . 1 1 87 87 ALA H H 87 8.242 8.242 7.502 0.740 19510 7842 1 15 . 1 1 88 88 LYS N N 88 122.742 122.742 118.913 3.829 19510 7843 1 15 . 1 1 88 88 LYS HA H 88 4.011 4.011 4.162 -0.151 19510 7844 1 15 . 1 1 88 88 LYS CA C 88 55.172 55.172 57.622 -2.450 19510 7845 1 15 . 1 1 88 88 LYS CB C 88 29.078 29.078 32.897 -3.819 19510 7846 1 15 . 1 1 88 88 LYS H H 88 8.182 8.182 7.431 0.751 19510 7847 1 15 . 1 1 89 89 MET N N 89 118.686 118.686 117.157 1.529 19510 7848 1 15 . 1 1 89 89 MET HA H 89 3.854 3.854 4.104 -0.251 19510 7849 1 15 . 1 1 89 89 MET CA C 89 59.175 59.175 58.621 0.554 19510 7850 1 15 . 1 1 89 89 MET CB C 89 31.697 31.697 32.402 -0.705 19510 7851 1 15 . 1 1 89 89 MET H H 89 8.504 8.504 7.362 1.142 19510 7852 1 15 . 1 1 90 90 VAL N N 90 120.987 120.987 116.927 4.060 19510 7853 1 15 . 1 1 90 90 VAL HA H 90 3.853 3.853 3.730 0.123 19510 7854 1 15 . 1 1 90 90 VAL C C 90 178.017 178.017 178.595 -0.578 19510 7855 1 15 . 1 1 90 90 VAL CA C 90 64.868 64.868 65.236 -0.368 19510 7856 1 15 . 1 1 90 90 VAL CB C 90 31.054 31.054 31.246 -0.192 19510 7857 1 15 . 1 1 90 90 VAL H H 90 7.573 7.573 7.790 -0.217 19510 7858 1 15 . 1 1 91 91 GLU N N 91 124.236 124.236 120.458 3.778 19510 7859 1 15 . 1 1 91 91 GLU HA H 91 3.802 3.802 4.002 -0.200 19510 7860 1 15 . 1 1 91 91 GLU C C 91 177.612 177.612 179.187 -1.575 19510 7861 1 15 . 1 1 91 91 GLU CA C 91 58.414 58.414 59.393 -0.979 19510 7862 1 15 . 1 1 91 91 GLU CB C 91 30.606 30.606 29.360 1.246 19510 7863 1 15 . 1 1 91 91 GLU H H 91 8.494 8.494 7.611 0.883 19510 7864 1 15 . 1 1 92 92 LEU N N 92 114.818 114.818 117.967 -3.149 19510 7865 1 15 . 1 1 92 92 LEU HA H 92 4.336 4.336 4.236 0.100 19510 7866 1 15 . 1 1 92 92 LEU C C 92 177.928 177.928 178.175 -0.247 19510 7867 1 15 . 1 1 92 92 LEU CA C 92 56.351 56.351 55.803 0.548 19510 7868 1 15 . 1 1 92 92 LEU CB C 92 39.780 39.780 41.017 -1.237 19510 7869 1 15 . 1 1 92 92 LEU H H 92 8.833 8.833 7.531 1.302 19510 7870 1 15 . 1 1 93 93 ARG N N 93 123.398 123.398 121.199 2.199 19510 7871 1 15 . 1 1 93 93 ARG HA H 93 3.997 3.997 3.790 0.207 19510 7872 1 15 . 1 1 93 93 ARG C C 93 176.350 176.350 177.872 -1.522 19510 7873 1 15 . 1 1 93 93 ARG CA C 93 58.848 58.848 59.743 -0.895 19510 7874 1 15 . 1 1 93 93 ARG CB C 93 28.592 28.592 30.049 -1.457 19510 7875 1 15 . 1 1 93 93 ARG H H 93 7.746 7.746 7.677 0.069 19510 7876 1 15 . 1 1 94 94 ALA N N 94 122.480 122.480 119.714 2.766 19510 7877 1 15 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.132 0.129 19510 7878 1 15 . 1 1 94 94 ALA C C 94 179.805 179.805 179.373 0.432 19510 7879 1 15 . 1 1 94 94 ALA CA C 94 54.529 54.529 55.115 -0.586 19510 7880 1 15 . 1 1 94 94 ALA CB C 94 16.423 16.423 18.139 -1.716 19510 7881 1 15 . 1 1 94 94 ALA H H 94 7.322 7.322 7.888 -0.566 19510 7882 1 15 . 1 1 95 95 THR N N 95 116.936 116.936 115.975 0.961 19510 7883 1 15 . 1 1 95 95 THR HA H 95 4.045 4.045 4.073 -0.028 19510 7884 1 15 . 1 1 95 95 THR C C 95 175.007 175.007 176.432 -1.425 19510 7885 1 15 . 1 1 95 95 THR CA C 95 64.868 64.868 66.185 -1.317 19510 7886 1 15 . 1 1 95 95 THR CB C 95 67.633 67.633 68.556 -0.923 19510 7887 1 15 . 1 1 95 95 THR H H 95 8.275 8.275 8.218 0.057 19510 7888 1 15 . 1 1 96 96 ALA N N 96 123.969 123.969 123.733 0.236 19510 7889 1 15 . 1 1 96 96 ALA HA H 96 3.904 3.904 4.033 -0.129 19510 7890 1 15 . 1 1 96 96 ALA C C 96 178.184 178.184 179.327 -1.143 19510 7891 1 15 . 1 1 96 96 ALA CA C 96 54.098 54.098 55.223 -1.125 19510 7892 1 15 . 1 1 96 96 ALA CB C 96 18.118 18.118 18.375 -0.257 19510 7893 1 15 . 1 1 96 96 ALA H H 96 8.688 8.688 8.253 0.435 19510 7894 1 15 . 1 1 97 97 ARG N N 97 117.393 117.393 117.911 -0.518 19510 7895 1 15 . 1 1 97 97 ARG HA H 97 3.857 3.857 4.138 -0.281 19510 7896 1 15 . 1 1 97 97 ARG C C 97 176.770 176.770 178.448 -1.678 19510 7897 1 15 . 1 1 97 97 ARG CA C 97 58.669 58.669 58.978 -0.309 19510 7898 1 15 . 1 1 97 97 ARG CB C 97 28.932 28.932 29.692 -0.760 19510 7899 1 15 . 1 1 97 97 ARG H H 97 8.073 8.073 7.648 0.425 19510 7900 1 15 . 1 1 98 98 GLU N N 98 118.029 118.029 120.357 -2.328 19510 7901 1 15 . 1 1 98 98 GLU HA H 98 4.180 4.180 3.967 0.213 19510 7902 1 15 . 1 1 98 98 GLU C C 98 178.865 178.865 179.074 -0.209 19510 7903 1 15 . 1 1 98 98 GLU CA C 98 57.867 57.867 59.330 -1.463 19510 7904 1 15 . 1 1 98 98 GLU CB C 98 27.704 27.704 29.340 -1.636 19510 7905 1 15 . 1 1 98 98 GLU H H 98 7.896 7.896 7.787 0.109 19510 7906 1 15 . 1 1 99 99 GLN N N 99 119.735 119.735 117.582 2.153 19510 7907 1 15 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.073 0.112 19510 7908 1 15 . 1 1 99 99 GLN C C 99 178.146 178.146 178.658 -0.512 19510 7909 1 15 . 1 1 99 99 GLN CA C 99 57.748 57.748 58.757 -1.009 19510 7910 1 15 . 1 1 99 99 GLN CB C 99 27.529 27.529 28.643 -1.114 19510 7911 1 15 . 1 1 99 99 GLN H H 99 8.320 8.320 8.058 0.262 19510 7912 1 15 . 1 1 100 100 ILE N N 100 119.676 119.676 118.787 0.889 19510 7913 1 15 . 1 1 100 100 ILE HA H 100 3.993 3.993 3.968 0.025 19510 7914 1 15 . 1 1 100 100 ILE C C 100 178.315 178.315 177.909 0.406 19510 7915 1 15 . 1 1 100 100 ILE CA C 100 60.935 60.935 62.571 -1.636 19510 7916 1 15 . 1 1 100 100 ILE CB C 100 34.935 34.935 37.475 -2.540 19510 7917 1 15 . 1 1 100 100 ILE H H 100 8.398 8.398 7.531 0.867 19510 7918 1 15 . 1 1 101 101 ILE N N 101 120.600 120.600 117.645 2.955 19510 7919 1 15 . 1 1 101 101 ILE HA H 101 4.027 4.027 3.704 0.323 19510 7920 1 15 . 1 1 101 101 ILE C C 101 177.006 177.006 177.620 -0.614 19510 7921 1 15 . 1 1 101 101 ILE CA C 101 62.382 62.382 63.580 -1.198 19510 7922 1 15 . 1 1 101 101 ILE CB C 101 36.195 36.195 37.370 -1.175 19510 7923 1 15 . 1 1 101 101 ILE H H 101 8.350 8.350 7.257 1.093 19510 7924 1 15 . 1 1 102 102 SER N N 102 116.172 116.172 114.979 1.193 19510 7925 1 15 . 1 1 102 102 SER HA H 102 4.589 4.589 4.405 0.184 19510 7926 1 15 . 1 1 102 102 SER C C 102 173.845 173.845 174.986 -1.141 19510 7927 1 15 . 1 1 102 102 SER CA C 102 58.735 58.735 60.394 -1.659 19510 7928 1 15 . 1 1 102 102 SER CB C 102 62.254 62.254 64.237 -1.983 19510 7929 1 15 . 1 1 102 102 SER H H 102 7.896 7.896 7.731 0.165 19510 7930 1 15 . 1 1 103 103 GLU N N 103 122.642 122.642 120.990 1.652 19510 7931 1 15 . 1 1 103 103 GLU HA H 103 4.473 4.473 4.536 -0.063 19510 7932 1 15 . 1 1 103 103 GLU C C 103 175.095 175.095 175.616 -0.521 19510 7933 1 15 . 1 1 103 103 GLU CA C 103 55.006 55.006 54.749 0.257 19510 7934 1 15 . 1 1 103 103 GLU CB C 103 28.770 28.770 29.840 -1.070 19510 7935 1 15 . 1 1 103 103 GLU H H 103 7.780 7.780 7.870 -0.090 19510 7936 1 16 . 1 1 4 4 PHE N N 4 122.548 122.548 117.066 5.482 19510 7937 1 16 . 1 1 4 4 PHE HA H 4 4.680 4.680 4.087 0.593 19510 7938 1 16 . 1 1 4 4 PHE CA C 4 57.087 57.087 58.225 -1.138 19510 7939 1 16 . 1 1 4 4 PHE CB C 4 38.126 38.126 36.328 1.798 19510 7940 1 16 . 1 1 4 4 PHE H H 4 8.328 8.328 7.836 0.492 19510 7941 1 16 . 1 1 7 7 ARG N N 7 121.962 121.962 122.685 -0.723 19510 7942 1 16 . 1 1 7 7 ARG HA H 7 4.265 4.265 4.636 -0.371 19510 7943 1 16 . 1 1 7 7 ARG C C 7 176.683 176.683 175.875 0.808 19510 7944 1 16 . 1 1 7 7 ARG CA C 7 56.502 56.502 55.468 1.034 19510 7945 1 16 . 1 1 7 7 ARG CB C 7 28.840 28.840 29.624 -0.784 19510 7946 1 16 . 1 1 7 7 ARG H H 7 8.339 8.339 8.577 -0.238 19510 7947 1 16 . 1 1 8 8 GLU N N 8 121.095 121.095 119.974 1.121 19510 7948 1 16 . 1 1 8 8 GLU HA H 8 4.233 4.233 4.070 0.163 19510 7949 1 16 . 1 1 8 8 GLU C C 8 176.964 176.964 177.168 -0.204 19510 7950 1 16 . 1 1 8 8 GLU CA C 8 57.517 57.517 57.933 -0.416 19510 7951 1 16 . 1 1 8 8 GLU CB C 8 27.744 27.744 30.110 -2.366 19510 7952 1 16 . 1 1 8 8 GLU H H 8 8.384 8.384 8.352 0.032 19510 7953 1 16 . 1 1 9 9 ARG N N 9 121.320 121.320 118.510 2.810 19510 7954 1 16 . 1 1 9 9 ARG HA H 9 4.310 4.310 4.132 0.178 19510 7955 1 16 . 1 1 9 9 ARG C C 9 176.563 176.563 175.733 0.830 19510 7956 1 16 . 1 1 9 9 ARG CA C 9 56.233 56.233 56.514 -0.281 19510 7957 1 16 . 1 1 9 9 ARG CB C 9 28.977 28.977 30.188 -1.211 19510 7958 1 16 . 1 1 9 9 ARG H H 9 8.291 8.291 7.902 0.389 19510 7959 1 16 . 1 1 10 10 ALA N N 10 123.900 123.900 118.979 4.921 19510 7960 1 16 . 1 1 10 10 ALA HA H 10 4.333 4.333 4.113 0.220 19510 7961 1 16 . 1 1 10 10 ALA C C 10 178.129 178.129 177.169 0.960 19510 7962 1 16 . 1 1 10 10 ALA CA C 10 52.348 52.348 52.687 -0.339 19510 7963 1 16 . 1 1 10 10 ALA CB C 10 17.396 17.396 17.410 -0.014 19510 7964 1 16 . 1 1 10 10 ALA H H 10 8.225 8.225 8.389 -0.164 19510 7965 1 16 . 1 1 11 11 HIS N N 11 117.829 117.829 113.111 4.718 19510 7966 1 16 . 1 1 11 11 HIS HA H 11 4.740 4.740 4.484 0.256 19510 7967 1 16 . 1 1 11 11 HIS C C 11 175.013 175.013 175.542 -0.529 19510 7968 1 16 . 1 1 11 11 HIS CA C 11 55.041 55.041 55.933 -0.892 19510 7969 1 16 . 1 1 11 11 HIS CB C 11 27.391 27.391 29.878 -2.487 19510 7970 1 16 . 1 1 11 11 HIS H H 11 8.500 8.500 8.285 0.215 19510 7971 1 16 . 1 1 12 12 GLU N N 12 121.398 121.398 120.141 1.257 19510 7972 1 16 . 1 1 12 12 GLU HA H 12 4.326 4.326 4.084 0.242 19510 7973 1 16 . 1 1 12 12 GLU C C 12 176.808 176.808 175.906 0.902 19510 7974 1 16 . 1 1 12 12 GLU CA C 12 56.517 56.517 56.782 -0.265 19510 7975 1 16 . 1 1 12 12 GLU CB C 12 28.289 28.289 27.665 0.624 19510 7976 1 16 . 1 1 12 12 GLU H H 12 8.456 8.456 8.368 0.088 19510 7977 1 16 . 1 1 13 13 ALA N N 13 124.231 124.231 125.383 -1.152 19510 7978 1 16 . 1 1 13 13 ALA HA H 13 4.309 4.309 3.906 0.403 19510 7979 1 16 . 1 1 13 13 ALA C C 13 178.197 178.197 177.817 0.380 19510 7980 1 16 . 1 1 13 13 ALA CA C 13 53.511 53.511 53.670 -0.159 19510 7981 1 16 . 1 1 13 13 ALA CB C 13 17.174 17.174 17.885 -0.711 19510 7982 1 16 . 1 1 13 13 ALA H H 13 8.444 8.444 8.545 -0.101 19510 7983 1 16 . 1 1 14 14 LYS N N 14 120.159 120.159 118.515 1.644 19510 7984 1 16 . 1 1 14 14 LYS HA H 14 4.257 4.257 4.312 -0.055 19510 7985 1 16 . 1 1 14 14 LYS C C 14 176.757 176.757 177.974 -1.217 19510 7986 1 16 . 1 1 14 14 LYS CA C 14 56.461 56.461 57.300 -0.839 19510 7987 1 16 . 1 1 14 14 LYS CB C 14 31.191 31.191 32.343 -1.152 19510 7988 1 16 . 1 1 14 14 LYS H H 14 8.136 8.136 7.625 0.511 19510 7989 1 16 . 1 1 15 15 PHE N N 15 118.588 118.588 119.051 -0.463 19510 7990 1 16 . 1 1 15 15 PHE HA H 15 4.527 4.527 4.304 0.223 19510 7991 1 16 . 1 1 15 15 PHE C C 15 175.635 175.635 176.871 -1.236 19510 7992 1 16 . 1 1 15 15 PHE CA C 15 57.992 57.992 59.898 -1.905 19510 7993 1 16 . 1 1 15 15 PHE CB C 15 37.908 37.908 38.403 -0.495 19510 7994 1 16 . 1 1 15 15 PHE H H 15 7.998 7.998 7.919 0.079 19510 7995 1 16 . 1 1 16 16 ALA N N 16 122.847 122.847 119.284 3.563 19510 7996 1 16 . 1 1 16 16 ALA HA H 16 4.317 4.317 4.329 -0.012 19510 7997 1 16 . 1 1 16 16 ALA C C 16 177.641 177.641 177.104 0.537 19510 7998 1 16 . 1 1 16 16 ALA CA C 16 52.317 52.317 52.631 -0.314 19510 7999 1 16 . 1 1 16 16 ALA CB C 16 17.378 17.378 19.561 -2.183 19510 8000 1 16 . 1 1 16 16 ALA H H 16 8.172 8.172 8.174 -0.002 19510 8001 1 16 . 1 1 17 17 HIS N N 17 115.904 115.904 117.462 -1.558 19510 8002 1 16 . 1 1 17 17 HIS HA H 17 4.839 4.839 4.709 0.130 19510 8003 1 16 . 1 1 17 17 HIS CA C 17 54.594 54.594 56.050 -1.456 19510 8004 1 16 . 1 1 17 17 HIS CB C 17 27.532 27.532 32.660 -5.128 19510 8005 1 16 . 1 1 17 17 HIS H H 17 8.218 8.218 7.975 0.243 19510 8006 1 16 . 1 1 18 18 ASP N N 18 121.432 121.432 118.424 3.008 19510 8007 1 16 . 1 1 18 18 ASP HA H 18 4.758 4.758 4.427 0.331 19510 8008 1 16 . 1 1 18 18 ASP CA C 18 53.004 53.004 54.879 -1.875 19510 8009 1 16 . 1 1 18 18 ASP CB C 18 39.571 39.571 41.150 -1.579 19510 8010 1 16 . 1 1 18 18 ASP H H 18 8.103 8.103 7.775 0.328 19510 8011 1 16 . 1 1 19 19 ALA N N 19 126.628 126.628 122.175 4.453 19510 8012 1 16 . 1 1 19 19 ALA HA H 19 4.303 4.303 4.377 -0.074 19510 8013 1 16 . 1 1 19 19 ALA CA C 19 53.177 53.177 53.615 -0.438 19510 8014 1 16 . 1 1 19 19 ALA CB C 19 17.231 17.231 19.648 -2.417 19510 8015 1 16 . 1 1 19 19 ALA H H 19 8.588 8.588 8.194 0.394 19510 8016 1 16 . 1 1 20 20 GLU N N 20 119.826 119.826 120.416 -0.590 19510 8017 1 16 . 1 1 20 20 GLU HA H 20 4.314 4.314 4.100 0.214 19510 8018 1 16 . 1 1 20 20 GLU CA C 20 57.403 57.403 60.023 -2.620 19510 8019 1 16 . 1 1 20 20 GLU CB C 20 27.780 27.780 28.916 -1.136 19510 8020 1 16 . 1 1 20 20 GLU H H 20 8.391 8.391 8.815 -0.424 19510 8021 1 16 . 1 1 21 21 LEU N N 21 122.268 122.268 117.828 4.440 19510 8022 1 16 . 1 1 21 21 LEU HA H 21 4.179 4.179 4.324 -0.145 19510 8023 1 16 . 1 1 21 21 LEU CA C 21 56.531 56.531 57.297 -0.766 19510 8024 1 16 . 1 1 21 21 LEU CB C 21 40.255 40.255 40.730 -0.475 19510 8025 1 16 . 1 1 21 21 LEU H H 21 8.134 8.134 8.262 -0.128 19510 8026 1 16 . 1 1 22 22 ASN N N 22 118.005 118.005 118.344 -0.339 19510 8027 1 16 . 1 1 22 22 ASN HA H 22 4.665 4.665 4.096 0.569 19510 8028 1 16 . 1 1 22 22 ASN CA C 22 55.493 55.493 56.517 -1.024 19510 8029 1 16 . 1 1 22 22 ASN CB C 22 37.084 37.084 38.354 -1.270 19510 8030 1 16 . 1 1 22 22 ASN H H 22 8.456 8.456 7.913 0.543 19510 8031 1 16 . 1 1 23 23 PHE N N 23 121.379 121.379 119.939 1.440 19510 8032 1 16 . 1 1 23 23 PHE HA H 23 4.509 4.509 4.096 0.413 19510 8033 1 16 . 1 1 23 23 PHE CA C 23 59.496 59.496 61.504 -2.008 19510 8034 1 16 . 1 1 23 23 PHE CB C 23 37.380 37.380 38.996 -1.616 19510 8035 1 16 . 1 1 23 23 PHE H H 23 8.453 8.453 8.830 -0.377 19510 8036 1 16 . 1 1 24 24 LYS N N 24 120.674 120.674 118.570 2.104 19510 8037 1 16 . 1 1 24 24 LYS HA H 24 4.191 4.191 3.983 0.208 19510 8038 1 16 . 1 1 24 24 LYS C C 24 179.309 179.309 179.204 0.105 19510 8039 1 16 . 1 1 24 24 LYS CA C 24 58.132 58.132 59.612 -1.480 19510 8040 1 16 . 1 1 24 24 LYS CB C 24 31.828 31.828 32.497 -0.669 19510 8041 1 16 . 1 1 24 24 LYS H H 24 8.504 8.504 7.577 0.927 19510 8042 1 16 . 1 1 25 25 ALA N N 25 123.584 123.584 121.370 2.214 19510 8043 1 16 . 1 1 25 25 ALA HA H 25 4.146 4.146 4.146 -0.000 19510 8044 1 16 . 1 1 25 25 ALA C C 25 178.243 178.243 178.780 -0.537 19510 8045 1 16 . 1 1 25 25 ALA CA C 25 53.760 53.760 54.323 -0.563 19510 8046 1 16 . 1 1 25 25 ALA CB C 25 16.827 16.827 18.070 -1.243 19510 8047 1 16 . 1 1 25 25 ALA H H 25 8.841 8.841 8.188 0.653 19510 8048 1 16 . 1 1 26 26 GLU N N 26 122.239 122.239 119.689 2.550 19510 8049 1 16 . 1 1 26 26 GLU HA H 26 4.083 4.083 3.980 0.103 19510 8050 1 16 . 1 1 26 26 GLU C C 26 177.265 177.265 177.286 -0.021 19510 8051 1 16 . 1 1 26 26 GLU CA C 26 57.850 57.850 59.258 -1.408 19510 8052 1 16 . 1 1 26 26 GLU CB C 26 28.891 28.891 29.651 -0.760 19510 8053 1 16 . 1 1 26 26 GLU H H 26 8.482 8.482 8.628 -0.146 19510 8054 1 16 . 1 1 27 27 ALA N N 27 122.124 122.124 119.457 2.667 19510 8055 1 16 . 1 1 27 27 ALA HA H 27 4.352 4.352 4.485 -0.133 19510 8056 1 16 . 1 1 27 27 ALA C C 27 180.552 180.552 177.453 3.099 19510 8057 1 16 . 1 1 27 27 ALA CA C 27 53.519 53.519 52.661 0.858 19510 8058 1 16 . 1 1 27 27 ALA CB C 27 16.410 16.410 18.662 -2.252 19510 8059 1 16 . 1 1 27 27 ALA H H 27 8.043 8.043 7.550 0.493 19510 8060 1 16 . 1 1 28 28 ARG N N 28 120.375 120.375 115.992 4.383 19510 8061 1 16 . 1 1 28 28 ARG HA H 28 4.441 4.441 4.445 -0.004 19510 8062 1 16 . 1 1 28 28 ARG C C 28 176.309 176.309 177.473 -1.164 19510 8063 1 16 . 1 1 28 28 ARG CA C 28 55.369 55.369 55.727 -0.358 19510 8064 1 16 . 1 1 28 28 ARG CB C 28 28.480 28.480 29.334 -0.854 19510 8065 1 16 . 1 1 28 28 ARG H H 28 8.101 8.101 7.448 0.653 19510 8066 1 16 . 1 1 29 29 ARG N N 29 122.734 122.734 119.449 3.285 19510 8067 1 16 . 1 1 29 29 ARG HA H 29 3.743 3.743 4.095 -0.352 19510 8068 1 16 . 1 1 29 29 ARG CA C 29 58.672 58.672 58.696 -0.024 19510 8069 1 16 . 1 1 29 29 ARG CB C 29 29.051 29.051 29.561 -0.510 19510 8070 1 16 . 1 1 29 29 ARG H H 29 8.901 8.901 8.420 0.481 19510 8071 1 16 . 1 1 30 30 ASN N N 30 119.961 119.961 115.674 4.287 19510 8072 1 16 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.916 -0.282 19510 8073 1 16 . 1 1 30 30 ASN C C 30 175.888 175.888 176.112 -0.224 19510 8074 1 16 . 1 1 30 30 ASN CA C 30 55.147 55.147 54.120 1.027 19510 8075 1 16 . 1 1 30 30 ASN CB C 30 35.418 35.418 39.510 -4.092 19510 8076 1 16 . 1 1 30 30 ASN H H 30 8.429 8.429 8.458 -0.029 19510 8077 1 16 . 1 1 31 31 ARG N N 31 123.400 123.400 121.927 1.473 19510 8078 1 16 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.359 -0.077 19510 8079 1 16 . 1 1 31 31 ARG C C 31 177.804 177.804 177.204 0.600 19510 8080 1 16 . 1 1 31 31 ARG CA C 31 58.132 58.132 57.945 0.187 19510 8081 1 16 . 1 1 31 31 ARG CB C 31 27.636 27.636 29.385 -1.749 19510 8082 1 16 . 1 1 31 31 ARG H H 31 8.052 8.052 7.658 0.394 19510 8083 1 16 . 1 1 32 32 LEU N N 32 119.872 119.872 115.060 4.812 19510 8084 1 16 . 1 1 32 32 LEU HA H 32 4.318 4.318 4.769 -0.451 19510 8085 1 16 . 1 1 32 32 LEU C C 32 180.602 180.602 176.744 3.858 19510 8086 1 16 . 1 1 32 32 LEU CA C 32 56.471 56.471 54.463 2.008 19510 8087 1 16 . 1 1 32 32 LEU CB C 32 40.558 40.558 42.347 -1.789 19510 8088 1 16 . 1 1 32 32 LEU H H 32 8.752 8.752 7.563 1.189 19510 8089 1 16 . 1 1 33 33 LEU N N 33 124.468 124.468 122.113 2.355 19510 8090 1 16 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.298 0.003 19510 8091 1 16 . 1 1 33 33 LEU C C 33 177.992 177.992 178.644 -0.652 19510 8092 1 16 . 1 1 33 33 LEU CA C 33 56.482 56.482 57.718 -1.236 19510 8093 1 16 . 1 1 33 33 LEU CB C 33 41.626 41.626 41.806 -0.180 19510 8094 1 16 . 1 1 33 33 LEU H H 33 9.273 9.273 8.148 1.125 19510 8095 1 16 . 1 1 34 34 GLY N N 34 109.045 109.045 107.031 2.014 19510 8096 1 16 . 1 1 34 34 GLY C C 34 174.530 174.530 175.693 -1.163 19510 8097 1 16 . 1 1 34 34 GLY CA C 34 45.447 45.447 47.724 -2.277 19510 8098 1 16 . 1 1 34 34 GLY H H 34 8.907 8.907 8.827 0.080 19510 8099 1 16 . 1 1 35 35 GLU N N 35 123.414 123.414 120.153 3.261 19510 8100 1 16 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.238 -0.061 19510 8101 1 16 . 1 1 35 35 GLU C C 35 178.866 178.866 177.962 0.904 19510 8102 1 16 . 1 1 35 35 GLU CA C 35 59.564 59.564 58.523 1.041 19510 8103 1 16 . 1 1 35 35 GLU CB C 35 27.692 27.692 29.009 -1.317 19510 8104 1 16 . 1 1 35 35 GLU H H 35 8.935 8.935 8.858 0.077 19510 8105 1 16 . 1 1 36 36 TRP N N 36 124.774 124.774 122.260 2.514 19510 8106 1 16 . 1 1 36 36 TRP HA H 36 4.604 4.604 4.500 0.104 19510 8107 1 16 . 1 1 36 36 TRP C C 36 177.618 177.618 177.275 0.343 19510 8108 1 16 . 1 1 36 36 TRP CA C 36 58.867 58.867 59.930 -1.063 19510 8109 1 16 . 1 1 36 36 TRP CB C 36 26.021 26.021 29.815 -3.794 19510 8110 1 16 . 1 1 36 36 TRP H H 36 8.531 8.531 7.495 1.036 19510 8111 1 16 . 1 1 37 37 ALA N N 37 123.777 123.777 121.439 2.338 19510 8112 1 16 . 1 1 37 37 ALA HA H 37 3.403 3.403 3.152 0.251 19510 8113 1 16 . 1 1 37 37 ALA C C 37 177.427 177.427 179.054 -1.627 19510 8114 1 16 . 1 1 37 37 ALA CA C 37 53.148 53.148 54.392 -1.244 19510 8115 1 16 . 1 1 37 37 ALA CB C 37 18.440 18.440 18.023 0.418 19510 8116 1 16 . 1 1 37 37 ALA H H 37 9.141 9.141 7.930 1.211 19510 8117 1 16 . 1 1 38 38 ALA N N 38 119.259 119.259 121.222 -1.963 19510 8118 1 16 . 1 1 38 38 ALA HA H 38 3.523 3.523 3.660 -0.137 19510 8119 1 16 . 1 1 38 38 ALA C C 38 178.670 178.670 179.353 -0.683 19510 8120 1 16 . 1 1 38 38 ALA CA C 38 53.882 53.882 55.149 -1.267 19510 8121 1 16 . 1 1 38 38 ALA CB C 38 17.083 17.083 18.113 -1.030 19510 8122 1 16 . 1 1 38 38 ALA H H 38 8.788 8.788 8.753 0.035 19510 8123 1 16 . 1 1 39 39 GLY N N 39 104.011 104.011 104.835 -0.824 19510 8124 1 16 . 1 1 39 39 GLY C C 39 177.232 177.232 176.179 1.053 19510 8125 1 16 . 1 1 39 39 GLY CA C 39 45.519 45.519 46.386 -0.867 19510 8126 1 16 . 1 1 39 39 GLY H H 39 7.756 7.756 8.226 -0.470 19510 8127 1 16 . 1 1 40 40 LEU N N 40 125.340 125.340 120.594 4.746 19510 8128 1 16 . 1 1 40 40 LEU HA H 40 4.111 4.111 4.038 0.073 19510 8129 1 16 . 1 1 40 40 LEU C C 40 178.203 178.203 177.889 0.314 19510 8130 1 16 . 1 1 40 40 LEU CA C 40 56.123 56.123 56.316 -0.193 19510 8131 1 16 . 1 1 40 40 LEU CB C 40 40.764 40.764 41.811 -1.047 19510 8132 1 16 . 1 1 40 40 LEU H H 40 7.511 7.511 7.103 0.408 19510 8133 1 16 . 1 1 41 41 LEU N N 41 117.234 117.234 115.574 1.660 19510 8134 1 16 . 1 1 41 41 LEU HA H 41 4.139 4.139 4.101 0.038 19510 8135 1 16 . 1 1 41 41 LEU C C 41 176.119 176.119 177.504 -1.385 19510 8136 1 16 . 1 1 41 41 LEU CA C 41 53.213 53.213 55.062 -1.849 19510 8137 1 16 . 1 1 41 41 LEU CB C 41 41.092 41.092 41.740 -0.649 19510 8138 1 16 . 1 1 41 41 LEU H H 41 7.692 7.692 7.685 0.007 19510 8139 1 16 . 1 1 42 42 GLY N N 42 109.595 109.595 105.623 3.972 19510 8140 1 16 . 1 1 42 42 GLY C C 42 173.775 173.775 174.535 -0.760 19510 8141 1 16 . 1 1 42 42 GLY CA C 42 44.409 44.409 45.357 -0.948 19510 8142 1 16 . 1 1 42 42 GLY H H 42 7.896 7.896 7.529 0.367 19510 8143 1 16 . 1 1 43 43 LYS N N 43 119.965 119.965 122.299 -2.334 19510 8144 1 16 . 1 1 43 43 LYS HA H 43 4.737 4.737 4.121 0.616 19510 8145 1 16 . 1 1 43 43 LYS C C 43 175.246 175.246 175.591 -0.345 19510 8146 1 16 . 1 1 43 43 LYS CA C 43 54.189 54.189 57.041 -2.852 19510 8147 1 16 . 1 1 43 43 LYS CB C 43 33.208 33.208 32.595 0.613 19510 8148 1 16 . 1 1 43 43 LYS H H 43 8.104 8.104 7.847 0.257 19510 8149 1 16 . 1 1 44 44 THR N N 44 114.199 114.199 113.852 0.347 19510 8150 1 16 . 1 1 44 44 THR HA H 44 4.773 4.773 4.535 0.238 19510 8151 1 16 . 1 1 44 44 THR C C 44 174.392 174.392 174.914 -0.522 19510 8152 1 16 . 1 1 44 44 THR CA C 44 58.348 58.348 60.192 -1.844 19510 8153 1 16 . 1 1 44 44 THR CB C 44 70.921 70.921 72.117 -1.196 19510 8154 1 16 . 1 1 44 44 THR H H 44 8.958 8.958 8.103 0.855 19510 8155 1 16 . 1 1 45 45 GLY N N 45 109.657 109.657 114.021 -4.364 19510 8156 1 16 . 1 1 45 45 GLY C C 45 175.330 175.330 174.809 0.521 19510 8157 1 16 . 1 1 45 45 GLY CA C 45 45.315 45.315 45.596 -0.281 19510 8158 1 16 . 1 1 45 45 GLY H H 45 8.885 8.885 8.530 0.355 19510 8159 1 16 . 1 1 46 46 ASP N N 46 128.403 128.403 124.753 3.650 19510 8160 1 16 . 1 1 46 46 ASP HA H 46 4.561 4.561 4.542 0.019 19510 8161 1 16 . 1 1 46 46 ASP C C 46 177.343 177.343 177.669 -0.326 19510 8162 1 16 . 1 1 46 46 ASP CA C 46 55.829 55.829 56.718 -0.889 19510 8163 1 16 . 1 1 46 46 ASP CB C 46 39.039 39.039 40.851 -1.812 19510 8164 1 16 . 1 1 46 46 ASP H H 46 9.318 9.318 8.658 0.660 19510 8165 1 16 . 1 1 47 47 ASP N N 47 121.367 121.367 120.363 1.004 19510 8166 1 16 . 1 1 47 47 ASP HA H 47 4.668 4.668 4.463 0.205 19510 8167 1 16 . 1 1 47 47 ASP CA C 47 55.545 55.545 57.656 -2.111 19510 8168 1 16 . 1 1 47 47 ASP CB C 47 39.415 39.415 40.508 -1.093 19510 8169 1 16 . 1 1 47 47 ASP H H 47 8.521 8.521 7.831 0.690 19510 8170 1 16 . 1 1 48 48 ALA N N 48 123.210 123.210 122.819 0.391 19510 8171 1 16 . 1 1 48 48 ALA HA H 48 3.940 3.940 4.079 -0.139 19510 8172 1 16 . 1 1 48 48 ALA CA C 48 53.331 53.331 55.074 -1.743 19510 8173 1 16 . 1 1 48 48 ALA CB C 48 16.036 16.036 18.579 -2.543 19510 8174 1 16 . 1 1 48 48 ALA H H 48 7.262 7.262 7.954 -0.692 19510 8175 1 16 . 1 1 49 49 ARG N N 49 120.088 120.088 120.144 -0.056 19510 8176 1 16 . 1 1 49 49 ARG HA H 49 4.126 4.126 4.354 -0.228 19510 8177 1 16 . 1 1 49 49 ARG CA C 49 57.876 57.876 59.464 -1.588 19510 8178 1 16 . 1 1 49 49 ARG CB C 49 28.774 28.774 30.427 -1.653 19510 8179 1 16 . 1 1 49 49 ARG H H 49 7.805 7.805 8.196 -0.391 19510 8180 1 16 . 1 1 50 50 ALA N N 50 121.061 121.061 120.124 0.937 19510 8181 1 16 . 1 1 50 50 ALA HA H 50 4.218 4.218 4.113 0.105 19510 8182 1 16 . 1 1 50 50 ALA CA C 50 53.399 53.399 54.936 -1.537 19510 8183 1 16 . 1 1 50 50 ALA CB C 50 16.672 16.672 18.156 -1.484 19510 8184 1 16 . 1 1 50 50 ALA H H 50 8.387 8.387 8.280 0.107 19510 8185 1 16 . 1 1 51 51 TYR N N 51 119.264 119.264 120.493 -1.229 19510 8186 1 16 . 1 1 51 51 TYR HA H 51 4.231 4.231 4.115 0.116 19510 8187 1 16 . 1 1 51 51 TYR C C 51 178.335 178.335 177.544 0.791 19510 8188 1 16 . 1 1 51 51 TYR CA C 51 60.493 60.493 60.737 -0.244 19510 8189 1 16 . 1 1 51 51 TYR CB C 51 37.094 37.094 38.397 -1.302 19510 8190 1 16 . 1 1 51 51 TYR H H 51 8.095 8.095 7.479 0.616 19510 8191 1 16 . 1 1 52 52 ALA N N 52 124.002 124.002 121.073 2.929 19510 8192 1 16 . 1 1 52 52 ALA HA H 52 3.899 3.899 3.901 -0.002 19510 8193 1 16 . 1 1 52 52 ALA C C 52 178.352 178.352 179.685 -1.333 19510 8194 1 16 . 1 1 52 52 ALA CA C 52 54.394 54.394 54.525 -0.131 19510 8195 1 16 . 1 1 52 52 ALA CB C 52 16.369 16.369 18.452 -2.083 19510 8196 1 16 . 1 1 52 52 ALA H H 52 8.651 8.651 8.383 0.268 19510 8197 1 16 . 1 1 53 53 LEU N N 53 116.593 116.593 117.189 -0.596 19510 8198 1 16 . 1 1 53 53 LEU HA H 53 4.301 4.301 4.054 0.247 19510 8199 1 16 . 1 1 53 53 LEU C C 53 177.452 177.452 178.317 -0.865 19510 8200 1 16 . 1 1 53 53 LEU CA C 53 55.412 55.412 57.334 -1.922 19510 8201 1 16 . 1 1 53 53 LEU CB C 53 40.510 40.510 41.439 -0.929 19510 8202 1 16 . 1 1 53 53 LEU H H 53 7.664 7.664 7.467 0.197 19510 8203 1 16 . 1 1 54 54 THR N N 54 110.998 110.998 110.811 0.187 19510 8204 1 16 . 1 1 54 54 THR HA H 54 4.401 4.401 4.189 0.212 19510 8205 1 16 . 1 1 54 54 THR CA C 54 61.997 61.997 62.771 -0.774 19510 8206 1 16 . 1 1 54 54 THR CB C 54 67.988 67.988 68.904 -0.917 19510 8207 1 16 . 1 1 54 54 THR H H 54 7.962 7.962 7.745 0.217 19510 8208 1 16 . 1 1 55 55 VAL N N 55 123.907 123.907 124.680 -0.773 19510 8209 1 16 . 1 1 55 55 VAL HA H 55 3.869 3.869 4.176 -0.307 19510 8210 1 16 . 1 1 55 55 VAL CA C 55 62.373 62.373 60.759 1.614 19510 8211 1 16 . 1 1 55 55 VAL CB C 55 29.037 29.037 31.198 -2.162 19510 8212 1 16 . 1 1 55 55 VAL H H 55 7.217 7.217 7.418 -0.201 19510 8213 1 16 . 1 1 56 56 VAL N N 56 119.176 119.176 128.087 -8.911 19510 8214 1 16 . 1 1 56 56 VAL HA H 56 4.300 4.300 4.392 -0.092 19510 8215 1 16 . 1 1 56 56 VAL CA C 56 55.363 55.363 61.148 -5.785 19510 8216 1 16 . 1 1 56 56 VAL CB C 56 32.466 32.466 34.811 -2.345 19510 8217 1 16 . 1 1 56 56 VAL H H 56 7.474 7.474 8.233 -0.759 19510 8218 1 16 . 1 1 57 57 THR N N 57 114.951 114.951 117.318 -2.367 19510 8219 1 16 . 1 1 57 57 THR HA H 57 4.509 4.509 4.624 -0.115 19510 8220 1 16 . 1 1 57 57 THR CA C 57 60.698 60.698 61.360 -0.662 19510 8221 1 16 . 1 1 57 57 THR CB C 57 68.177 68.177 70.007 -1.830 19510 8222 1 16 . 1 1 57 57 THR H H 57 7.992 7.992 8.342 -0.350 19510 8223 1 16 . 1 1 58 58 SER N N 58 119.820 119.820 116.114 3.706 19510 8224 1 16 . 1 1 58 58 SER HA H 58 4.554 4.554 4.791 -0.237 19510 8225 1 16 . 1 1 58 58 SER CA C 58 57.409 57.409 57.595 -0.186 19510 8226 1 16 . 1 1 58 58 SER CB C 58 62.399 62.399 64.350 -1.951 19510 8227 1 16 . 1 1 58 58 SER H H 58 8.473 8.473 8.549 -0.076 19510 8228 1 16 . 1 1 59 59 ASP N N 59 122.199 122.199 121.131 1.068 19510 8229 1 16 . 1 1 59 59 ASP HA H 59 4.762 4.762 4.524 0.238 19510 8230 1 16 . 1 1 59 59 ASP C C 59 175.459 175.459 176.609 -1.150 19510 8231 1 16 . 1 1 59 59 ASP CA C 59 52.469 52.469 55.156 -2.687 19510 8232 1 16 . 1 1 59 59 ASP CB C 59 39.455 39.455 41.483 -2.028 19510 8233 1 16 . 1 1 59 59 ASP H H 59 8.285 8.285 7.870 0.415 19510 8234 1 16 . 1 1 60 60 PHE HA H 60 4.182 4.182 4.184 -0.002 19510 8235 1 16 . 1 1 60 60 PHE CA C 60 59.253 59.253 59.540 -0.287 19510 8236 1 16 . 1 1 60 60 PHE CB C 60 35.163 35.163 39.048 -3.885 19510 8237 1 16 . 1 1 63 63 PRO HA H 63 4.606 4.606 4.544 0.062 19510 8238 1 16 . 1 1 63 63 PRO CA C 63 55.716 55.716 62.836 -7.120 19510 8239 1 16 . 1 1 63 63 PRO CB C 63 30.732 30.732 30.313 0.419 19510 8240 1 16 . 1 1 64 64 GLY N N 64 110.382 110.382 110.337 0.045 19510 8241 1 16 . 1 1 64 64 GLY CA C 64 44.280 44.280 44.614 -0.334 19510 8242 1 16 . 1 1 64 64 GLY H H 64 8.706 8.706 7.684 1.022 19510 8243 1 16 . 1 1 65 65 ASP N N 65 121.977 121.977 118.507 3.470 19510 8244 1 16 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.614 0.049 19510 8245 1 16 . 1 1 65 65 ASP CA C 65 55.765 55.765 54.583 1.183 19510 8246 1 16 . 1 1 65 65 ASP CB C 65 39.579 39.579 41.365 -1.786 19510 8247 1 16 . 1 1 65 65 ASP H H 65 8.661 8.661 8.157 0.504 19510 8248 1 16 . 1 1 66 66 GLU N N 66 120.065 120.065 117.888 2.177 19510 8249 1 16 . 1 1 66 66 GLU HA H 66 4.437 4.437 4.229 0.208 19510 8250 1 16 . 1 1 66 66 GLU CA C 66 57.520 57.520 56.486 1.034 19510 8251 1 16 . 1 1 66 66 GLU CB C 66 27.598 27.598 29.950 -2.352 19510 8252 1 16 . 1 1 66 66 GLU H H 66 8.643 8.643 8.290 0.353 19510 8253 1 16 . 1 1 67 67 ASP N N 67 120.033 120.033 119.767 0.266 19510 8254 1 16 . 1 1 67 67 ASP HA H 67 4.609 4.609 4.495 0.114 19510 8255 1 16 . 1 1 67 67 ASP CA C 67 55.601 55.601 56.124 -0.523 19510 8256 1 16 . 1 1 67 67 ASP CB C 67 39.106 39.106 40.593 -1.487 19510 8257 1 16 . 1 1 67 67 ASP H H 67 8.272 8.272 8.591 -0.319 19510 8258 1 16 . 1 1 68 68 VAL N N 68 123.206 123.206 117.300 5.906 19510 8259 1 16 . 1 1 68 68 VAL HA H 68 3.817 3.817 4.005 -0.188 19510 8260 1 16 . 1 1 68 68 VAL CA C 68 65.715 65.715 64.626 1.088 19510 8261 1 16 . 1 1 68 68 VAL CB C 68 30.705 30.705 32.193 -1.488 19510 8262 1 16 . 1 1 68 68 VAL H H 68 8.045 8.045 7.952 0.093 19510 8263 1 16 . 1 1 69 69 PHE N N 69 120.600 120.600 124.256 -3.656 19510 8264 1 16 . 1 1 69 69 PHE HA H 69 4.158 4.158 4.250 -0.092 19510 8265 1 16 . 1 1 69 69 PHE CA C 69 61.013 61.013 61.019 -0.006 19510 8266 1 16 . 1 1 69 69 PHE CB C 69 37.455 37.455 38.822 -1.367 19510 8267 1 16 . 1 1 69 69 PHE H H 69 8.488 8.488 7.734 0.754 19510 8268 1 16 . 1 1 70 70 ARG N N 70 117.820 117.820 118.912 -1.092 19510 8269 1 16 . 1 1 70 70 ARG HA H 70 3.755 3.755 3.812 -0.057 19510 8270 1 16 . 1 1 70 70 ARG C C 70 178.813 178.813 178.020 0.793 19510 8271 1 16 . 1 1 70 70 ARG CA C 70 58.184 58.184 58.381 -0.197 19510 8272 1 16 . 1 1 70 70 ARG CB C 70 28.899 28.899 29.602 -0.703 19510 8273 1 16 . 1 1 70 70 ARG H H 70 8.611 8.611 8.571 0.040 19510 8274 1 16 . 1 1 71 71 LYS N N 71 121.726 121.726 117.900 3.826 19510 8275 1 16 . 1 1 71 71 LYS HA H 71 4.253 4.253 4.240 0.013 19510 8276 1 16 . 1 1 71 71 LYS C C 71 177.020 177.020 178.738 -1.718 19510 8277 1 16 . 1 1 71 71 LYS CA C 71 58.490 58.490 58.384 0.106 19510 8278 1 16 . 1 1 71 71 LYS CB C 71 31.216 31.216 32.381 -1.165 19510 8279 1 16 . 1 1 71 71 LYS H H 71 7.686 7.686 7.932 -0.246 19510 8280 1 16 . 1 1 72 72 LEU N N 72 119.355 119.355 120.818 -1.463 19510 8281 1 16 . 1 1 72 72 LEU HA H 72 4.051 4.051 4.131 -0.080 19510 8282 1 16 . 1 1 72 72 LEU C C 72 177.378 177.378 177.907 -0.529 19510 8283 1 16 . 1 1 72 72 LEU CA C 72 56.317 56.317 57.478 -1.161 19510 8284 1 16 . 1 1 72 72 LEU CB C 72 41.148 41.148 42.074 -0.926 19510 8285 1 16 . 1 1 72 72 LEU H H 72 8.215 8.215 7.456 0.759 19510 8286 1 16 . 1 1 73 73 ALA N N 73 121.106 121.106 120.264 0.842 19510 8287 1 16 . 1 1 73 73 ALA HA H 73 3.767 3.767 3.848 -0.081 19510 8288 1 16 . 1 1 73 73 ALA C C 73 179.644 179.644 178.321 1.323 19510 8289 1 16 . 1 1 73 73 ALA CA C 73 53.263 53.263 54.257 -0.994 19510 8290 1 16 . 1 1 73 73 ALA CB C 73 15.930 15.930 17.726 -1.796 19510 8291 1 16 . 1 1 73 73 ALA H H 73 9.143 9.143 8.316 0.827 19510 8292 1 16 . 1 1 74 74 ALA N N 74 119.383 119.383 119.573 -0.190 19510 8293 1 16 . 1 1 74 74 ALA HA H 74 4.384 4.384 4.005 0.379 19510 8294 1 16 . 1 1 74 74 ALA C C 74 179.752 179.752 180.052 -0.300 19510 8295 1 16 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.836 -1.312 19510 8296 1 16 . 1 1 74 74 ALA CB C 74 17.094 17.094 18.118 -1.024 19510 8297 1 16 . 1 1 74 74 ALA H H 74 7.403 7.403 7.686 -0.283 19510 8298 1 16 . 1 1 75 75 ASP N N 75 120.226 120.226 119.614 0.612 19510 8299 1 16 . 1 1 75 75 ASP HA H 75 4.523 4.523 4.521 0.002 19510 8300 1 16 . 1 1 75 75 ASP C C 75 177.704 177.704 177.243 0.461 19510 8301 1 16 . 1 1 75 75 ASP CA C 75 55.312 55.312 56.650 -1.338 19510 8302 1 16 . 1 1 75 75 ASP CB C 75 38.326 38.326 41.311 -2.985 19510 8303 1 16 . 1 1 75 75 ASP H H 75 8.536 8.536 7.740 0.796 19510 8304 1 16 . 1 1 76 76 LEU N N 76 115.468 115.468 118.047 -2.579 19510 8305 1 16 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.289 0.103 19510 8306 1 16 . 1 1 76 76 LEU C C 76 174.790 174.790 175.476 -0.686 19510 8307 1 16 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.685 -1.062 19510 8308 1 16 . 1 1 76 76 LEU CB C 76 39.594 39.594 40.413 -0.819 19510 8309 1 16 . 1 1 76 76 LEU H H 76 8.612 8.612 8.241 0.371 19510 8310 1 16 . 1 1 77 77 GLU N N 77 124.725 124.725 121.431 3.294 19510 8311 1 16 . 1 1 77 77 GLU HA H 77 4.343 4.343 4.197 0.146 19510 8312 1 16 . 1 1 77 77 GLU C C 77 176.953 176.953 177.727 -0.774 19510 8313 1 16 . 1 1 77 77 GLU CA C 77 57.345 57.345 57.487 -0.142 19510 8314 1 16 . 1 1 77 77 GLU CB C 77 27.555 27.555 29.756 -2.201 19510 8315 1 16 . 1 1 77 77 GLU H H 77 7.158 7.158 7.231 -0.073 19510 8316 1 16 . 1 1 78 78 GLY N N 78 118.105 118.105 115.064 3.041 19510 8317 1 16 . 1 1 78 78 GLY C C 78 173.075 173.075 174.823 -1.748 19510 8318 1 16 . 1 1 78 78 GLY CA C 78 44.269 44.269 46.119 -1.850 19510 8319 1 16 . 1 1 78 78 GLY H H 78 9.392 9.392 8.930 0.462 19510 8320 1 16 . 1 1 79 79 LYS N N 79 120.237 120.237 119.021 1.216 19510 8321 1 16 . 1 1 79 79 LYS HA H 79 4.663 4.663 4.489 0.174 19510 8322 1 16 . 1 1 79 79 LYS C C 79 175.050 175.050 174.728 0.322 19510 8323 1 16 . 1 1 79 79 LYS CA C 79 54.683 54.683 55.794 -1.111 19510 8324 1 16 . 1 1 79 79 LYS CB C 79 33.435 33.435 34.516 -1.081 19510 8325 1 16 . 1 1 79 79 LYS H H 79 8.809 8.809 8.151 0.658 19510 8326 1 16 . 1 1 80 80 ALA N N 80 121.135 121.135 122.268 -1.133 19510 8327 1 16 . 1 1 80 80 ALA HA H 80 4.893 4.893 4.667 0.226 19510 8328 1 16 . 1 1 80 80 ALA C C 80 174.051 174.051 174.580 -0.529 19510 8329 1 16 . 1 1 80 80 ALA CA C 80 50.289 50.289 52.076 -1.787 19510 8330 1 16 . 1 1 80 80 ALA CB C 80 20.483 20.483 20.848 -0.365 19510 8331 1 16 . 1 1 80 80 ALA H H 80 8.169 8.169 7.467 0.702 19510 8332 1 16 . 1 1 81 81 ASP N N 81 121.569 121.569 123.966 -2.397 19510 8333 1 16 . 1 1 81 81 ASP HA H 81 4.898 4.898 4.852 0.046 19510 8334 1 16 . 1 1 81 81 ASP CA C 81 50.397 50.397 53.366 -2.969 19510 8335 1 16 . 1 1 81 81 ASP CB C 81 40.401 40.401 41.755 -1.354 19510 8336 1 16 . 1 1 81 81 ASP H H 81 8.330 8.330 8.470 -0.140 19510 8337 1 16 . 1 1 82 82 GLU N N 82 119.843 119.843 122.047 -2.204 19510 8338 1 16 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.098 0.087 19510 8339 1 16 . 1 1 82 82 GLU C C 82 177.350 177.350 178.457 -1.107 19510 8340 1 16 . 1 1 82 82 GLU CA C 82 59.676 59.676 60.745 -1.069 19510 8341 1 16 . 1 1 82 82 GLU CB C 82 27.893 27.893 29.511 -1.618 19510 8342 1 16 . 1 1 82 82 GLU H H 82 8.923 8.923 8.992 -0.069 19510 8343 1 16 . 1 1 83 83 GLU N N 83 119.348 119.348 115.979 3.369 19510 8344 1 16 . 1 1 83 83 GLU HA H 83 4.177 4.177 4.123 0.054 19510 8345 1 16 . 1 1 83 83 GLU C C 83 178.794 178.794 178.439 0.355 19510 8346 1 16 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.995 0.087 19510 8347 1 16 . 1 1 83 83 GLU CB C 83 28.879 28.879 28.970 -0.090 19510 8348 1 16 . 1 1 83 83 GLU H H 83 8.832 8.832 8.934 -0.102 19510 8349 1 16 . 1 1 84 84 THR N N 84 119.892 119.892 116.503 3.389 19510 8350 1 16 . 1 1 84 84 THR HA H 84 4.140 4.140 4.397 -0.257 19510 8351 1 16 . 1 1 84 84 THR C C 84 176.165 176.165 175.817 0.348 19510 8352 1 16 . 1 1 84 84 THR CA C 84 65.721 65.721 65.401 0.320 19510 8353 1 16 . 1 1 84 84 THR CB C 84 66.751 66.751 69.991 -3.240 19510 8354 1 16 . 1 1 84 84 THR H H 84 8.576 8.576 7.702 0.874 19510 8355 1 16 . 1 1 85 85 ILE N N 85 123.655 123.655 123.714 -0.059 19510 8356 1 16 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.739 0.080 19510 8357 1 16 . 1 1 85 85 ILE C C 85 174.809 174.809 177.183 -2.374 19510 8358 1 16 . 1 1 85 85 ILE CA C 85 64.891 64.891 66.347 -1.456 19510 8359 1 16 . 1 1 85 85 ILE CB C 85 37.797 37.797 38.179 -0.382 19510 8360 1 16 . 1 1 85 85 ILE H H 85 8.572 8.572 8.971 -0.399 19510 8361 1 16 . 1 1 86 86 ARG N N 86 119.670 119.670 118.782 0.888 19510 8362 1 16 . 1 1 86 86 ARG HA H 86 4.186 4.186 3.683 0.503 19510 8363 1 16 . 1 1 86 86 ARG CA C 86 58.766 58.766 58.429 0.337 19510 8364 1 16 . 1 1 86 86 ARG CB C 86 28.165 28.165 28.567 -0.402 19510 8365 1 16 . 1 1 86 86 ARG H H 86 9.092 9.092 8.317 0.775 19510 8366 1 16 . 1 1 87 87 ALA N N 87 121.431 121.431 122.104 -0.673 19510 8367 1 16 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.158 0.149 19510 8368 1 16 . 1 1 87 87 ALA CA C 87 53.558 53.558 54.118 -0.561 19510 8369 1 16 . 1 1 87 87 ALA CB C 87 16.382 16.382 18.519 -2.137 19510 8370 1 16 . 1 1 87 87 ALA H H 87 8.242 8.242 7.287 0.955 19510 8371 1 16 . 1 1 88 88 LYS N N 88 122.742 122.742 119.857 2.885 19510 8372 1 16 . 1 1 88 88 LYS HA H 88 4.011 4.011 3.810 0.201 19510 8373 1 16 . 1 1 88 88 LYS CA C 88 55.172 55.172 58.542 -3.370 19510 8374 1 16 . 1 1 88 88 LYS CB C 88 29.078 29.078 31.502 -2.424 19510 8375 1 16 . 1 1 88 88 LYS H H 88 8.182 8.182 8.009 0.173 19510 8376 1 16 . 1 1 89 89 MET N N 89 118.686 118.686 118.346 0.340 19510 8377 1 16 . 1 1 89 89 MET HA H 89 3.854 3.854 3.926 -0.072 19510 8378 1 16 . 1 1 89 89 MET CA C 89 59.175 59.175 60.057 -0.882 19510 8379 1 16 . 1 1 89 89 MET CB C 89 31.697 31.697 32.472 -0.775 19510 8380 1 16 . 1 1 89 89 MET H H 89 8.504 8.504 7.593 0.911 19510 8381 1 16 . 1 1 90 90 VAL N N 90 120.987 120.987 118.370 2.617 19510 8382 1 16 . 1 1 90 90 VAL HA H 90 3.853 3.853 3.561 0.292 19510 8383 1 16 . 1 1 90 90 VAL C C 90 178.017 178.017 177.837 0.180 19510 8384 1 16 . 1 1 90 90 VAL CA C 90 64.868 64.868 65.676 -0.808 19510 8385 1 16 . 1 1 90 90 VAL CB C 90 31.054 31.054 31.183 -0.129 19510 8386 1 16 . 1 1 90 90 VAL H H 90 7.573 7.573 7.489 0.084 19510 8387 1 16 . 1 1 91 91 GLU N N 91 124.236 124.236 120.544 3.692 19510 8388 1 16 . 1 1 91 91 GLU HA H 91 3.802 3.802 4.047 -0.245 19510 8389 1 16 . 1 1 91 91 GLU C C 91 177.612 177.612 179.342 -1.730 19510 8390 1 16 . 1 1 91 91 GLU CA C 91 58.414 58.414 59.311 -0.897 19510 8391 1 16 . 1 1 91 91 GLU CB C 91 30.606 30.606 29.678 0.928 19510 8392 1 16 . 1 1 91 91 GLU H H 91 8.494 8.494 7.423 1.071 19510 8393 1 16 . 1 1 92 92 LEU N N 92 114.818 114.818 120.311 -5.493 19510 8394 1 16 . 1 1 92 92 LEU HA H 92 4.336 4.336 4.098 0.238 19510 8395 1 16 . 1 1 92 92 LEU C C 92 177.928 177.928 178.802 -0.874 19510 8396 1 16 . 1 1 92 92 LEU CA C 92 56.351 56.351 57.221 -0.870 19510 8397 1 16 . 1 1 92 92 LEU CB C 92 39.780 39.780 41.661 -1.881 19510 8398 1 16 . 1 1 92 92 LEU H H 92 8.833 8.833 8.201 0.632 19510 8399 1 16 . 1 1 93 93 ARG N N 93 123.398 123.398 119.433 3.965 19510 8400 1 16 . 1 1 93 93 ARG HA H 93 3.997 3.997 3.957 0.040 19510 8401 1 16 . 1 1 93 93 ARG C C 93 176.350 176.350 177.524 -1.174 19510 8402 1 16 . 1 1 93 93 ARG CA C 93 58.848 58.848 58.965 -0.117 19510 8403 1 16 . 1 1 93 93 ARG CB C 93 28.592 28.592 30.318 -1.726 19510 8404 1 16 . 1 1 93 93 ARG H H 93 7.746 7.746 8.303 -0.557 19510 8405 1 16 . 1 1 94 94 ALA N N 94 122.480 122.480 120.156 2.324 19510 8406 1 16 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.210 0.051 19510 8407 1 16 . 1 1 94 94 ALA C C 94 179.805 179.805 178.723 1.082 19510 8408 1 16 . 1 1 94 94 ALA CA C 94 54.529 54.529 54.384 0.145 19510 8409 1 16 . 1 1 94 94 ALA CB C 94 16.423 16.423 18.820 -2.397 19510 8410 1 16 . 1 1 94 94 ALA H H 94 7.322 7.322 7.588 -0.266 19510 8411 1 16 . 1 1 95 95 THR N N 95 116.936 116.936 113.484 3.452 19510 8412 1 16 . 1 1 95 95 THR HA H 95 4.045 4.045 3.954 0.091 19510 8413 1 16 . 1 1 95 95 THR C C 95 175.007 175.007 176.526 -1.519 19510 8414 1 16 . 1 1 95 95 THR CA C 95 64.868 64.868 65.090 -0.222 19510 8415 1 16 . 1 1 95 95 THR CB C 95 67.633 67.633 68.912 -1.279 19510 8416 1 16 . 1 1 95 95 THR H H 95 8.275 8.275 7.384 0.891 19510 8417 1 16 . 1 1 96 96 ALA N N 96 123.969 123.969 122.378 1.591 19510 8418 1 16 . 1 1 96 96 ALA HA H 96 3.904 3.904 3.805 0.099 19510 8419 1 16 . 1 1 96 96 ALA C C 96 178.184 178.184 179.051 -0.867 19510 8420 1 16 . 1 1 96 96 ALA CA C 96 54.098 54.098 54.855 -0.757 19510 8421 1 16 . 1 1 96 96 ALA CB C 96 18.118 18.118 16.971 1.147 19510 8422 1 16 . 1 1 96 96 ALA H H 96 8.688 8.688 7.908 0.780 19510 8423 1 16 . 1 1 97 97 ARG N N 97 117.393 117.393 119.837 -2.444 19510 8424 1 16 . 1 1 97 97 ARG HA H 97 3.857 3.857 4.094 -0.237 19510 8425 1 16 . 1 1 97 97 ARG C C 97 176.770 176.770 178.452 -1.682 19510 8426 1 16 . 1 1 97 97 ARG CA C 97 58.669 58.669 58.828 -0.159 19510 8427 1 16 . 1 1 97 97 ARG CB C 97 28.932 28.932 30.136 -1.204 19510 8428 1 16 . 1 1 97 97 ARG H H 97 8.073 8.073 8.152 -0.079 19510 8429 1 16 . 1 1 98 98 GLU N N 98 118.029 118.029 120.006 -1.977 19510 8430 1 16 . 1 1 98 98 GLU HA H 98 4.180 4.180 3.971 0.209 19510 8431 1 16 . 1 1 98 98 GLU C C 98 178.865 178.865 178.850 0.015 19510 8432 1 16 . 1 1 98 98 GLU CA C 98 57.867 57.867 59.501 -1.634 19510 8433 1 16 . 1 1 98 98 GLU CB C 98 27.704 27.704 29.103 -1.399 19510 8434 1 16 . 1 1 98 98 GLU H H 98 7.896 7.896 8.079 -0.183 19510 8435 1 16 . 1 1 99 99 GLN N N 99 119.735 119.735 117.140 2.595 19510 8436 1 16 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.133 0.052 19510 8437 1 16 . 1 1 99 99 GLN C C 99 178.146 178.146 178.215 -0.069 19510 8438 1 16 . 1 1 99 99 GLN CA C 99 57.748 57.748 58.725 -0.977 19510 8439 1 16 . 1 1 99 99 GLN CB C 99 27.529 27.529 28.146 -0.617 19510 8440 1 16 . 1 1 99 99 GLN H H 99 8.320 8.320 8.292 0.028 19510 8441 1 16 . 1 1 100 100 ILE N N 100 119.676 119.676 118.652 1.024 19510 8442 1 16 . 1 1 100 100 ILE HA H 100 3.993 3.993 4.099 -0.106 19510 8443 1 16 . 1 1 100 100 ILE C C 100 178.315 178.315 178.839 -0.524 19510 8444 1 16 . 1 1 100 100 ILE CA C 100 60.935 60.935 63.889 -2.954 19510 8445 1 16 . 1 1 100 100 ILE CB C 100 34.935 34.935 37.695 -2.760 19510 8446 1 16 . 1 1 100 100 ILE H H 100 8.398 8.398 7.640 0.758 19510 8447 1 16 . 1 1 101 101 ILE N N 101 120.600 120.600 117.554 3.046 19510 8448 1 16 . 1 1 101 101 ILE HA H 101 4.027 4.027 3.649 0.378 19510 8449 1 16 . 1 1 101 101 ILE C C 101 177.006 177.006 177.359 -0.353 19510 8450 1 16 . 1 1 101 101 ILE CA C 101 62.382 62.382 63.570 -1.188 19510 8451 1 16 . 1 1 101 101 ILE CB C 101 36.195 36.195 37.226 -1.031 19510 8452 1 16 . 1 1 101 101 ILE H H 101 8.350 8.350 7.299 1.051 19510 8453 1 16 . 1 1 102 102 SER N N 102 116.172 116.172 114.614 1.558 19510 8454 1 16 . 1 1 102 102 SER HA H 102 4.589 4.589 4.459 0.130 19510 8455 1 16 . 1 1 102 102 SER C C 102 173.845 173.845 174.446 -0.601 19510 8456 1 16 . 1 1 102 102 SER CA C 102 58.735 58.735 59.461 -0.726 19510 8457 1 16 . 1 1 102 102 SER CB C 102 62.254 62.254 63.425 -1.171 19510 8458 1 16 . 1 1 102 102 SER H H 102 7.896 7.896 7.924 -0.028 19510 8459 1 16 . 1 1 103 103 GLU N N 103 122.642 122.642 120.795 1.847 19510 8460 1 16 . 1 1 103 103 GLU HA H 103 4.473 4.473 4.559 -0.086 19510 8461 1 16 . 1 1 103 103 GLU C C 103 175.095 175.095 175.560 -0.465 19510 8462 1 16 . 1 1 103 103 GLU CA C 103 55.006 55.006 55.498 -0.492 19510 8463 1 16 . 1 1 103 103 GLU CB C 103 28.770 28.770 30.598 -1.828 19510 8464 1 16 . 1 1 103 103 GLU H H 103 7.780 7.780 7.726 0.054 19510 8465 1 17 . 1 1 4 4 PHE N N 4 122.548 122.548 124.234 -1.686 19510 8466 1 17 . 1 1 4 4 PHE HA H 4 4.680 4.680 4.682 -0.002 19510 8467 1 17 . 1 1 4 4 PHE CA C 4 57.087 57.087 57.424 -0.337 19510 8468 1 17 . 1 1 4 4 PHE CB C 4 38.126 38.126 40.839 -2.713 19510 8469 1 17 . 1 1 4 4 PHE H H 4 8.328 8.328 8.160 0.168 19510 8470 1 17 . 1 1 7 7 ARG N N 7 121.962 121.962 124.078 -2.116 19510 8471 1 17 . 1 1 7 7 ARG HA H 7 4.265 4.265 4.549 -0.284 19510 8472 1 17 . 1 1 7 7 ARG C C 7 176.683 176.683 175.486 1.197 19510 8473 1 17 . 1 1 7 7 ARG CA C 7 56.502 56.502 54.758 1.744 19510 8474 1 17 . 1 1 7 7 ARG CB C 7 28.840 28.840 32.616 -3.776 19510 8475 1 17 . 1 1 7 7 ARG H H 7 8.339 8.339 8.282 0.057 19510 8476 1 17 . 1 1 8 8 GLU N N 8 121.095 121.095 121.960 -0.865 19510 8477 1 17 . 1 1 8 8 GLU HA H 8 4.233 4.233 4.194 0.039 19510 8478 1 17 . 1 1 8 8 GLU C C 8 176.964 176.964 176.379 0.585 19510 8479 1 17 . 1 1 8 8 GLU CA C 8 57.517 57.517 56.275 1.242 19510 8480 1 17 . 1 1 8 8 GLU CB C 8 27.744 27.744 30.298 -2.554 19510 8481 1 17 . 1 1 8 8 GLU H H 8 8.384 8.384 8.528 -0.144 19510 8482 1 17 . 1 1 9 9 ARG N N 9 121.320 121.320 120.370 0.950 19510 8483 1 17 . 1 1 9 9 ARG HA H 9 4.310 4.310 4.022 0.288 19510 8484 1 17 . 1 1 9 9 ARG C C 9 176.563 176.563 176.240 0.323 19510 8485 1 17 . 1 1 9 9 ARG CA C 9 56.233 56.233 56.602 -0.369 19510 8486 1 17 . 1 1 9 9 ARG CB C 9 28.977 28.977 30.190 -1.213 19510 8487 1 17 . 1 1 9 9 ARG H H 9 8.291 8.291 8.372 -0.081 19510 8488 1 17 . 1 1 10 10 ALA N N 10 123.900 123.900 124.430 -0.530 19510 8489 1 17 . 1 1 10 10 ALA HA H 10 4.333 4.333 4.587 -0.254 19510 8490 1 17 . 1 1 10 10 ALA C C 10 178.129 178.129 175.719 2.410 19510 8491 1 17 . 1 1 10 10 ALA CA C 10 52.348 52.348 51.637 0.711 19510 8492 1 17 . 1 1 10 10 ALA CB C 10 17.396 17.396 18.695 -1.298 19510 8493 1 17 . 1 1 10 10 ALA H H 10 8.225 8.225 8.211 0.014 19510 8494 1 17 . 1 1 11 11 HIS N N 11 117.829 117.829 115.790 2.039 19510 8495 1 17 . 1 1 11 11 HIS HA H 11 4.740 4.740 4.982 -0.242 19510 8496 1 17 . 1 1 11 11 HIS C C 11 175.013 175.013 175.870 -0.857 19510 8497 1 17 . 1 1 11 11 HIS CA C 11 55.041 55.041 54.446 0.595 19510 8498 1 17 . 1 1 11 11 HIS CB C 11 27.391 27.391 31.613 -4.222 19510 8499 1 17 . 1 1 11 11 HIS H H 11 8.500 8.500 7.633 0.867 19510 8500 1 17 . 1 1 12 12 GLU N N 12 121.398 121.398 121.162 0.236 19510 8501 1 17 . 1 1 12 12 GLU HA H 12 4.326 4.326 3.293 1.033 19510 8502 1 17 . 1 1 12 12 GLU C C 12 176.808 176.808 177.225 -0.417 19510 8503 1 17 . 1 1 12 12 GLU CA C 12 56.517 56.517 58.635 -2.118 19510 8504 1 17 . 1 1 12 12 GLU CB C 12 28.289 28.289 27.441 0.848 19510 8505 1 17 . 1 1 12 12 GLU H H 12 8.456 8.456 9.068 -0.612 19510 8506 1 17 . 1 1 13 13 ALA N N 13 124.231 124.231 123.656 0.575 19510 8507 1 17 . 1 1 13 13 ALA HA H 13 4.309 4.309 4.101 0.208 19510 8508 1 17 . 1 1 13 13 ALA C C 13 178.197 178.197 179.568 -1.371 19510 8509 1 17 . 1 1 13 13 ALA CA C 13 53.511 53.511 54.151 -0.640 19510 8510 1 17 . 1 1 13 13 ALA CB C 13 17.174 17.174 18.459 -1.285 19510 8511 1 17 . 1 1 13 13 ALA H H 13 8.444 8.444 8.242 0.202 19510 8512 1 17 . 1 1 14 14 LYS N N 14 120.159 120.159 119.365 0.794 19510 8513 1 17 . 1 1 14 14 LYS HA H 14 4.257 4.257 4.200 0.057 19510 8514 1 17 . 1 1 14 14 LYS C C 14 176.757 176.757 178.885 -2.128 19510 8515 1 17 . 1 1 14 14 LYS CA C 14 56.461 56.461 58.173 -1.712 19510 8516 1 17 . 1 1 14 14 LYS CB C 14 31.191 31.191 32.018 -0.827 19510 8517 1 17 . 1 1 14 14 LYS H H 14 8.136 8.136 7.891 0.245 19510 8518 1 17 . 1 1 15 15 PHE N N 15 118.588 118.588 118.921 -0.333 19510 8519 1 17 . 1 1 15 15 PHE HA H 15 4.527 4.527 4.261 0.266 19510 8520 1 17 . 1 1 15 15 PHE C C 15 175.635 175.635 177.287 -1.652 19510 8521 1 17 . 1 1 15 15 PHE CA C 15 57.992 57.992 60.653 -2.661 19510 8522 1 17 . 1 1 15 15 PHE CB C 15 37.908 37.908 38.536 -0.628 19510 8523 1 17 . 1 1 15 15 PHE H H 15 7.998 7.998 8.337 -0.339 19510 8524 1 17 . 1 1 16 16 ALA N N 16 122.847 122.847 118.375 4.472 19510 8525 1 17 . 1 1 16 16 ALA HA H 16 4.317 4.317 4.195 0.122 19510 8526 1 17 . 1 1 16 16 ALA C C 16 177.641 177.641 177.690 -0.049 19510 8527 1 17 . 1 1 16 16 ALA CA C 16 52.317 52.317 53.069 -0.752 19510 8528 1 17 . 1 1 16 16 ALA CB C 16 17.378 17.378 19.073 -1.695 19510 8529 1 17 . 1 1 16 16 ALA H H 16 8.172 8.172 7.867 0.305 19510 8530 1 17 . 1 1 17 17 HIS N N 17 115.904 115.904 118.102 -2.198 19510 8531 1 17 . 1 1 17 17 HIS HA H 17 4.839 4.839 4.709 0.130 19510 8532 1 17 . 1 1 17 17 HIS CA C 17 54.594 54.594 56.263 -1.669 19510 8533 1 17 . 1 1 17 17 HIS CB C 17 27.532 27.532 32.190 -4.658 19510 8534 1 17 . 1 1 17 17 HIS H H 17 8.218 8.218 8.007 0.211 19510 8535 1 17 . 1 1 18 18 ASP N N 18 121.432 121.432 120.669 0.763 19510 8536 1 17 . 1 1 18 18 ASP HA H 18 4.758 4.758 4.333 0.425 19510 8537 1 17 . 1 1 18 18 ASP CA C 18 53.004 53.004 55.499 -2.495 19510 8538 1 17 . 1 1 18 18 ASP CB C 18 39.571 39.571 40.783 -1.212 19510 8539 1 17 . 1 1 18 18 ASP H H 18 8.103 8.103 8.120 -0.017 19510 8540 1 17 . 1 1 19 19 ALA N N 19 126.628 126.628 120.457 6.171 19510 8541 1 17 . 1 1 19 19 ALA HA H 19 4.303 4.303 4.293 0.010 19510 8542 1 17 . 1 1 19 19 ALA CA C 19 53.177 53.177 52.555 0.622 19510 8543 1 17 . 1 1 19 19 ALA CB C 19 17.231 17.231 19.865 -2.634 19510 8544 1 17 . 1 1 19 19 ALA H H 19 8.588 8.588 8.200 0.388 19510 8545 1 17 . 1 1 20 20 GLU N N 20 119.826 119.826 120.026 -0.200 19510 8546 1 17 . 1 1 20 20 GLU HA H 20 4.314 4.314 4.189 0.125 19510 8547 1 17 . 1 1 20 20 GLU CA C 20 57.403 57.403 59.535 -2.132 19510 8548 1 17 . 1 1 20 20 GLU CB C 20 27.780 27.780 29.157 -1.377 19510 8549 1 17 . 1 1 20 20 GLU H H 20 8.391 8.391 8.742 -0.351 19510 8550 1 17 . 1 1 21 21 LEU N N 21 122.268 122.268 117.604 4.664 19510 8551 1 17 . 1 1 21 21 LEU HA H 21 4.179 4.179 4.049 0.130 19510 8552 1 17 . 1 1 21 21 LEU CA C 21 56.531 56.531 57.944 -1.413 19510 8553 1 17 . 1 1 21 21 LEU CB C 21 40.255 40.255 41.833 -1.578 19510 8554 1 17 . 1 1 21 21 LEU H H 21 8.134 8.134 8.280 -0.146 19510 8555 1 17 . 1 1 22 22 ASN N N 22 118.005 118.005 117.387 0.618 19510 8556 1 17 . 1 1 22 22 ASN HA H 22 4.665 4.665 3.773 0.892 19510 8557 1 17 . 1 1 22 22 ASN CA C 22 55.493 55.493 54.659 0.834 19510 8558 1 17 . 1 1 22 22 ASN CB C 22 37.084 37.084 37.980 -0.896 19510 8559 1 17 . 1 1 22 22 ASN H H 22 8.456 8.456 7.561 0.895 19510 8560 1 17 . 1 1 23 23 PHE N N 23 121.379 121.379 121.417 -0.038 19510 8561 1 17 . 1 1 23 23 PHE HA H 23 4.509 4.509 4.005 0.504 19510 8562 1 17 . 1 1 23 23 PHE CA C 23 59.496 59.496 60.572 -1.076 19510 8563 1 17 . 1 1 23 23 PHE CB C 23 37.380 37.380 38.935 -1.555 19510 8564 1 17 . 1 1 23 23 PHE H H 23 8.453 8.453 8.590 -0.137 19510 8565 1 17 . 1 1 24 24 LYS N N 24 120.674 120.674 117.007 3.667 19510 8566 1 17 . 1 1 24 24 LYS HA H 24 4.191 4.191 3.870 0.321 19510 8567 1 17 . 1 1 24 24 LYS C C 24 179.309 179.309 179.161 0.148 19510 8568 1 17 . 1 1 24 24 LYS CA C 24 58.132 58.132 59.104 -0.972 19510 8569 1 17 . 1 1 24 24 LYS CB C 24 31.828 31.828 31.579 0.249 19510 8570 1 17 . 1 1 24 24 LYS H H 24 8.504 8.504 8.020 0.484 19510 8571 1 17 . 1 1 25 25 ALA N N 25 123.584 123.584 124.159 -0.575 19510 8572 1 17 . 1 1 25 25 ALA HA H 25 4.146 4.146 4.305 -0.159 19510 8573 1 17 . 1 1 25 25 ALA C C 25 178.243 178.243 180.140 -1.897 19510 8574 1 17 . 1 1 25 25 ALA CA C 25 53.760 53.760 54.580 -0.820 19510 8575 1 17 . 1 1 25 25 ALA CB C 25 16.827 16.827 18.472 -1.645 19510 8576 1 17 . 1 1 25 25 ALA H H 25 8.841 8.841 7.657 1.184 19510 8577 1 17 . 1 1 26 26 GLU N N 26 122.239 122.239 115.035 7.204 19510 8578 1 17 . 1 1 26 26 GLU HA H 26 4.083 4.083 4.252 -0.169 19510 8579 1 17 . 1 1 26 26 GLU C C 26 177.265 177.265 176.176 1.089 19510 8580 1 17 . 1 1 26 26 GLU CA C 26 57.850 57.850 56.759 1.091 19510 8581 1 17 . 1 1 26 26 GLU CB C 26 28.891 28.891 28.662 0.229 19510 8582 1 17 . 1 1 26 26 GLU H H 26 8.482 8.482 7.940 0.542 19510 8583 1 17 . 1 1 27 27 ALA N N 27 122.124 122.124 119.463 2.661 19510 8584 1 17 . 1 1 27 27 ALA HA H 27 4.352 4.352 4.719 -0.367 19510 8585 1 17 . 1 1 27 27 ALA C C 27 180.552 180.552 177.201 3.351 19510 8586 1 17 . 1 1 27 27 ALA CA C 27 53.519 53.519 52.176 1.343 19510 8587 1 17 . 1 1 27 27 ALA CB C 27 16.410 16.410 20.277 -3.867 19510 8588 1 17 . 1 1 27 27 ALA H H 27 8.043 8.043 7.490 0.553 19510 8589 1 17 . 1 1 28 28 ARG N N 28 120.375 120.375 118.803 1.572 19510 8590 1 17 . 1 1 28 28 ARG HA H 28 4.441 4.441 4.506 -0.065 19510 8591 1 17 . 1 1 28 28 ARG C C 28 176.309 176.309 177.496 -1.187 19510 8592 1 17 . 1 1 28 28 ARG CA C 28 55.369 55.369 56.402 -1.033 19510 8593 1 17 . 1 1 28 28 ARG CB C 28 28.480 28.480 30.329 -1.849 19510 8594 1 17 . 1 1 28 28 ARG H H 28 8.101 8.101 7.655 0.446 19510 8595 1 17 . 1 1 29 29 ARG N N 29 122.734 122.734 121.337 1.397 19510 8596 1 17 . 1 1 29 29 ARG HA H 29 3.743 3.743 4.035 -0.292 19510 8597 1 17 . 1 1 29 29 ARG CA C 29 58.672 58.672 58.852 -0.180 19510 8598 1 17 . 1 1 29 29 ARG CB C 29 29.051 29.051 28.983 0.068 19510 8599 1 17 . 1 1 29 29 ARG H H 29 8.901 8.901 8.495 0.406 19510 8600 1 17 . 1 1 30 30 ASN N N 30 119.961 119.961 115.070 4.891 19510 8601 1 17 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.581 0.053 19510 8602 1 17 . 1 1 30 30 ASN C C 30 175.888 175.888 176.113 -0.225 19510 8603 1 17 . 1 1 30 30 ASN CA C 30 55.147 55.147 55.031 0.116 19510 8604 1 17 . 1 1 30 30 ASN CB C 30 35.418 35.418 38.301 -2.883 19510 8605 1 17 . 1 1 30 30 ASN H H 30 8.429 8.429 8.441 -0.012 19510 8606 1 17 . 1 1 31 31 ARG N N 31 123.400 123.400 120.242 3.158 19510 8607 1 17 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.246 0.036 19510 8608 1 17 . 1 1 31 31 ARG C C 31 177.804 177.804 178.249 -0.445 19510 8609 1 17 . 1 1 31 31 ARG CA C 31 58.132 58.132 58.578 -0.446 19510 8610 1 17 . 1 1 31 31 ARG CB C 31 27.636 27.636 30.929 -3.293 19510 8611 1 17 . 1 1 31 31 ARG H H 31 8.052 8.052 7.790 0.262 19510 8612 1 17 . 1 1 32 32 LEU N N 32 119.872 119.872 118.717 1.155 19510 8613 1 17 . 1 1 32 32 LEU HA H 32 4.318 4.318 4.403 -0.085 19510 8614 1 17 . 1 1 32 32 LEU C C 32 180.602 180.602 179.144 1.458 19510 8615 1 17 . 1 1 32 32 LEU CA C 32 56.471 56.471 57.154 -0.683 19510 8616 1 17 . 1 1 32 32 LEU CB C 32 40.558 40.558 40.712 -0.154 19510 8617 1 17 . 1 1 32 32 LEU H H 32 8.752 8.752 7.583 1.169 19510 8618 1 17 . 1 1 33 33 LEU N N 33 124.468 124.468 121.145 3.323 19510 8619 1 17 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.120 0.181 19510 8620 1 17 . 1 1 33 33 LEU C C 33 177.992 177.992 179.398 -1.406 19510 8621 1 17 . 1 1 33 33 LEU CA C 33 56.482 56.482 57.442 -0.960 19510 8622 1 17 . 1 1 33 33 LEU CB C 33 41.626 41.626 41.371 0.255 19510 8623 1 17 . 1 1 33 33 LEU H H 33 9.273 9.273 7.704 1.569 19510 8624 1 17 . 1 1 34 34 GLY N N 34 109.045 109.045 105.166 3.879 19510 8625 1 17 . 1 1 34 34 GLY C C 34 174.530 174.530 174.820 -0.290 19510 8626 1 17 . 1 1 34 34 GLY CA C 34 45.447 45.447 46.093 -0.646 19510 8627 1 17 . 1 1 34 34 GLY H H 34 8.907 8.907 7.912 0.995 19510 8628 1 17 . 1 1 35 35 GLU N N 35 123.414 123.414 120.022 3.392 19510 8629 1 17 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.327 -0.150 19510 8630 1 17 . 1 1 35 35 GLU C C 35 178.866 178.866 177.675 1.191 19510 8631 1 17 . 1 1 35 35 GLU CA C 35 59.564 59.564 57.532 2.032 19510 8632 1 17 . 1 1 35 35 GLU CB C 35 27.692 27.692 29.896 -2.204 19510 8633 1 17 . 1 1 35 35 GLU H H 35 8.935 8.935 7.867 1.068 19510 8634 1 17 . 1 1 36 36 TRP N N 36 124.774 124.774 123.064 1.710 19510 8635 1 17 . 1 1 36 36 TRP HA H 36 4.604 4.604 4.400 0.204 19510 8636 1 17 . 1 1 36 36 TRP C C 36 177.618 177.618 177.215 0.403 19510 8637 1 17 . 1 1 36 36 TRP CA C 36 58.867 58.867 60.865 -1.998 19510 8638 1 17 . 1 1 36 36 TRP CB C 36 26.021 26.021 29.774 -3.753 19510 8639 1 17 . 1 1 36 36 TRP H H 36 8.531 8.531 7.902 0.629 19510 8640 1 17 . 1 1 37 37 ALA N N 37 123.777 123.777 120.651 3.126 19510 8641 1 17 . 1 1 37 37 ALA HA H 37 3.403 3.403 3.235 0.168 19510 8642 1 17 . 1 1 37 37 ALA C C 37 177.427 177.427 178.713 -1.286 19510 8643 1 17 . 1 1 37 37 ALA CA C 37 53.148 53.148 54.090 -0.942 19510 8644 1 17 . 1 1 37 37 ALA CB C 37 18.440 18.440 17.551 0.889 19510 8645 1 17 . 1 1 37 37 ALA H H 37 9.141 9.141 8.538 0.603 19510 8646 1 17 . 1 1 38 38 ALA N N 38 119.259 119.259 121.863 -2.604 19510 8647 1 17 . 1 1 38 38 ALA HA H 38 3.523 3.523 3.459 0.064 19510 8648 1 17 . 1 1 38 38 ALA C C 38 178.670 178.670 179.450 -0.780 19510 8649 1 17 . 1 1 38 38 ALA CA C 38 53.882 53.882 54.761 -0.879 19510 8650 1 17 . 1 1 38 38 ALA CB C 38 17.083 17.083 17.968 -0.885 19510 8651 1 17 . 1 1 38 38 ALA H H 38 8.788 8.788 8.031 0.757 19510 8652 1 17 . 1 1 39 39 GLY N N 39 104.011 104.011 106.771 -2.760 19510 8653 1 17 . 1 1 39 39 GLY C C 39 177.232 177.232 176.711 0.521 19510 8654 1 17 . 1 1 39 39 GLY CA C 39 45.519 45.519 46.843 -1.324 19510 8655 1 17 . 1 1 39 39 GLY H H 39 7.756 7.756 7.813 -0.057 19510 8656 1 17 . 1 1 40 40 LEU N N 40 125.340 125.340 122.507 2.833 19510 8657 1 17 . 1 1 40 40 LEU HA H 40 4.111 4.111 3.899 0.212 19510 8658 1 17 . 1 1 40 40 LEU C C 40 178.203 178.203 177.907 0.296 19510 8659 1 17 . 1 1 40 40 LEU CA C 40 56.123 56.123 57.347 -1.224 19510 8660 1 17 . 1 1 40 40 LEU CB C 40 40.764 40.764 41.718 -0.954 19510 8661 1 17 . 1 1 40 40 LEU H H 40 7.511 7.511 7.315 0.196 19510 8662 1 17 . 1 1 41 41 LEU N N 41 117.234 117.234 115.067 2.167 19510 8663 1 17 . 1 1 41 41 LEU HA H 41 4.139 4.139 4.235 -0.096 19510 8664 1 17 . 1 1 41 41 LEU C C 41 176.119 176.119 177.141 -1.022 19510 8665 1 17 . 1 1 41 41 LEU CA C 41 53.213 53.213 54.483 -1.270 19510 8666 1 17 . 1 1 41 41 LEU CB C 41 41.092 41.092 41.974 -0.882 19510 8667 1 17 . 1 1 41 41 LEU H H 41 7.692 7.692 7.454 0.238 19510 8668 1 17 . 1 1 42 42 GLY N N 42 109.595 109.595 108.112 1.483 19510 8669 1 17 . 1 1 42 42 GLY C C 42 173.775 173.775 173.507 0.268 19510 8670 1 17 . 1 1 42 42 GLY CA C 42 44.409 44.409 45.155 -0.746 19510 8671 1 17 . 1 1 42 42 GLY H H 42 7.896 7.896 7.797 0.099 19510 8672 1 17 . 1 1 43 43 LYS N N 43 119.965 119.965 120.686 -0.721 19510 8673 1 17 . 1 1 43 43 LYS HA H 43 4.737 4.737 4.659 0.078 19510 8674 1 17 . 1 1 43 43 LYS C C 43 175.246 175.246 175.044 0.202 19510 8675 1 17 . 1 1 43 43 LYS CA C 43 54.189 54.189 54.909 -0.720 19510 8676 1 17 . 1 1 43 43 LYS CB C 43 33.208 33.208 34.957 -1.749 19510 8677 1 17 . 1 1 43 43 LYS H H 43 8.104 8.104 8.017 0.087 19510 8678 1 17 . 1 1 44 44 THR N N 44 114.199 114.199 113.255 0.944 19510 8679 1 17 . 1 1 44 44 THR HA H 44 4.773 4.773 4.529 0.244 19510 8680 1 17 . 1 1 44 44 THR C C 44 174.392 174.392 175.868 -1.476 19510 8681 1 17 . 1 1 44 44 THR CA C 44 58.348 58.348 60.233 -1.885 19510 8682 1 17 . 1 1 44 44 THR CB C 44 70.921 70.921 70.955 -0.034 19510 8683 1 17 . 1 1 44 44 THR H H 44 8.958 8.958 8.207 0.751 19510 8684 1 17 . 1 1 45 45 GLY N N 45 109.657 109.657 110.189 -0.532 19510 8685 1 17 . 1 1 45 45 GLY C C 45 175.330 175.330 175.302 0.028 19510 8686 1 17 . 1 1 45 45 GLY CA C 45 45.315 45.315 46.778 -1.463 19510 8687 1 17 . 1 1 45 45 GLY H H 45 8.885 8.885 8.618 0.267 19510 8688 1 17 . 1 1 46 46 ASP N N 46 128.403 128.403 123.460 4.943 19510 8689 1 17 . 1 1 46 46 ASP HA H 46 4.561 4.561 4.472 0.089 19510 8690 1 17 . 1 1 46 46 ASP C C 46 177.343 177.343 177.755 -0.412 19510 8691 1 17 . 1 1 46 46 ASP CA C 46 55.829 55.829 56.625 -0.796 19510 8692 1 17 . 1 1 46 46 ASP CB C 46 39.039 39.039 40.818 -1.779 19510 8693 1 17 . 1 1 46 46 ASP H H 46 9.318 9.318 8.561 0.757 19510 8694 1 17 . 1 1 47 47 ASP N N 47 121.367 121.367 119.543 1.824 19510 8695 1 17 . 1 1 47 47 ASP HA H 47 4.668 4.668 4.574 0.094 19510 8696 1 17 . 1 1 47 47 ASP CA C 47 55.545 55.545 56.790 -1.245 19510 8697 1 17 . 1 1 47 47 ASP CB C 47 39.415 39.415 40.868 -1.453 19510 8698 1 17 . 1 1 47 47 ASP H H 47 8.521 8.521 7.988 0.533 19510 8699 1 17 . 1 1 48 48 ALA N N 48 123.210 123.210 123.196 0.014 19510 8700 1 17 . 1 1 48 48 ALA HA H 48 3.940 3.940 4.077 -0.137 19510 8701 1 17 . 1 1 48 48 ALA CA C 48 53.331 53.331 55.108 -1.776 19510 8702 1 17 . 1 1 48 48 ALA CB C 48 16.036 16.036 18.697 -2.661 19510 8703 1 17 . 1 1 48 48 ALA H H 48 7.262 7.262 7.832 -0.570 19510 8704 1 17 . 1 1 49 49 ARG N N 49 120.088 120.088 119.618 0.470 19510 8705 1 17 . 1 1 49 49 ARG HA H 49 4.126 4.126 3.996 0.130 19510 8706 1 17 . 1 1 49 49 ARG CA C 49 57.876 57.876 59.328 -1.452 19510 8707 1 17 . 1 1 49 49 ARG CB C 49 28.774 28.774 30.334 -1.560 19510 8708 1 17 . 1 1 49 49 ARG H H 49 7.805 7.805 8.250 -0.445 19510 8709 1 17 . 1 1 50 50 ALA N N 50 121.061 121.061 120.006 1.055 19510 8710 1 17 . 1 1 50 50 ALA HA H 50 4.218 4.218 4.119 0.099 19510 8711 1 17 . 1 1 50 50 ALA CA C 50 53.399 53.399 54.804 -1.405 19510 8712 1 17 . 1 1 50 50 ALA CB C 50 16.672 16.672 18.290 -1.617 19510 8713 1 17 . 1 1 50 50 ALA H H 50 8.387 8.387 7.941 0.446 19510 8714 1 17 . 1 1 51 51 TYR N N 51 119.264 119.264 120.719 -1.455 19510 8715 1 17 . 1 1 51 51 TYR HA H 51 4.231 4.231 4.124 0.107 19510 8716 1 17 . 1 1 51 51 TYR C C 51 178.335 178.335 177.208 1.127 19510 8717 1 17 . 1 1 51 51 TYR CA C 51 60.493 60.493 60.902 -0.409 19510 8718 1 17 . 1 1 51 51 TYR CB C 51 37.094 37.094 38.503 -1.409 19510 8719 1 17 . 1 1 51 51 TYR H H 51 8.095 8.095 8.582 -0.487 19510 8720 1 17 . 1 1 52 52 ALA N N 52 124.002 124.002 119.137 4.865 19510 8721 1 17 . 1 1 52 52 ALA HA H 52 3.899 3.899 4.078 -0.179 19510 8722 1 17 . 1 1 52 52 ALA C C 52 178.352 178.352 177.612 0.740 19510 8723 1 17 . 1 1 52 52 ALA CA C 52 54.394 54.394 52.906 1.488 19510 8724 1 17 . 1 1 52 52 ALA CB C 52 16.369 16.369 18.371 -2.002 19510 8725 1 17 . 1 1 52 52 ALA H H 52 8.651 8.651 7.970 0.681 19510 8726 1 17 . 1 1 53 53 LEU N N 53 116.593 116.593 116.335 0.258 19510 8727 1 17 . 1 1 53 53 LEU HA H 53 4.301 4.301 4.207 0.094 19510 8728 1 17 . 1 1 53 53 LEU C C 53 177.452 177.452 178.017 -0.565 19510 8729 1 17 . 1 1 53 53 LEU CA C 53 55.412 55.412 56.236 -0.824 19510 8730 1 17 . 1 1 53 53 LEU CB C 53 40.510 40.510 41.369 -0.859 19510 8731 1 17 . 1 1 53 53 LEU H H 53 7.664 7.664 7.404 0.260 19510 8732 1 17 . 1 1 54 54 THR N N 54 110.998 110.998 112.927 -1.929 19510 8733 1 17 . 1 1 54 54 THR HA H 54 4.401 4.401 4.428 -0.027 19510 8734 1 17 . 1 1 54 54 THR CA C 54 61.997 61.997 62.160 -0.163 19510 8735 1 17 . 1 1 54 54 THR CB C 54 67.988 67.988 69.677 -1.689 19510 8736 1 17 . 1 1 54 54 THR H H 54 7.962 7.962 7.361 0.601 19510 8737 1 17 . 1 1 55 55 VAL N N 55 123.907 123.907 119.562 4.345 19510 8738 1 17 . 1 1 55 55 VAL HA H 55 3.869 3.869 3.911 -0.042 19510 8739 1 17 . 1 1 55 55 VAL CA C 55 62.373 62.373 63.640 -1.267 19510 8740 1 17 . 1 1 55 55 VAL CB C 55 29.037 29.037 31.680 -2.643 19510 8741 1 17 . 1 1 55 55 VAL H H 55 7.217 7.217 7.474 -0.257 19510 8742 1 17 . 1 1 56 56 VAL N N 56 119.176 119.176 118.738 0.438 19510 8743 1 17 . 1 1 56 56 VAL HA H 56 4.300 4.300 4.236 0.064 19510 8744 1 17 . 1 1 56 56 VAL CA C 56 55.363 55.363 62.520 -7.157 19510 8745 1 17 . 1 1 56 56 VAL CB C 56 32.466 32.466 31.242 1.224 19510 8746 1 17 . 1 1 56 56 VAL H H 56 7.474 7.474 7.277 0.197 19510 8747 1 17 . 1 1 57 57 THR N N 57 114.951 114.951 121.828 -6.877 19510 8748 1 17 . 1 1 57 57 THR HA H 57 4.509 4.509 4.559 -0.050 19510 8749 1 17 . 1 1 57 57 THR CA C 57 60.698 60.698 61.909 -1.211 19510 8750 1 17 . 1 1 57 57 THR CB C 57 68.177 68.177 71.030 -2.853 19510 8751 1 17 . 1 1 57 57 THR H H 57 7.992 7.992 9.419 -1.427 19510 8752 1 17 . 1 1 58 58 SER N N 58 119.820 119.820 117.870 1.950 19510 8753 1 17 . 1 1 58 58 SER HA H 58 4.554 4.554 4.199 0.355 19510 8754 1 17 . 1 1 58 58 SER CA C 58 57.409 57.409 60.277 -2.868 19510 8755 1 17 . 1 1 58 58 SER CB C 58 62.399 62.399 62.456 -0.057 19510 8756 1 17 . 1 1 58 58 SER H H 58 8.473 8.473 8.364 0.109 19510 8757 1 17 . 1 1 59 59 ASP N N 59 122.199 122.199 120.599 1.600 19510 8758 1 17 . 1 1 59 59 ASP HA H 59 4.762 4.762 4.935 -0.173 19510 8759 1 17 . 1 1 59 59 ASP C C 59 175.459 175.459 174.620 0.839 19510 8760 1 17 . 1 1 59 59 ASP CA C 59 52.469 52.469 54.241 -1.772 19510 8761 1 17 . 1 1 59 59 ASP CB C 59 39.455 39.455 43.274 -3.819 19510 8762 1 17 . 1 1 59 59 ASP H H 59 8.285 8.285 8.180 0.105 19510 8763 1 17 . 1 1 60 60 PHE HA H 60 4.182 4.182 4.636 -0.454 19510 8764 1 17 . 1 1 60 60 PHE CA C 60 59.253 59.253 58.068 1.185 19510 8765 1 17 . 1 1 60 60 PHE CB C 60 35.163 35.163 39.812 -4.649 19510 8766 1 17 . 1 1 63 63 PRO HA H 63 4.606 4.606 4.463 0.143 19510 8767 1 17 . 1 1 63 63 PRO CA C 63 55.716 55.716 63.932 -8.216 19510 8768 1 17 . 1 1 63 63 PRO CB C 63 30.732 30.732 32.118 -1.386 19510 8769 1 17 . 1 1 64 64 GLY N N 64 110.382 110.382 107.362 3.020 19510 8770 1 17 . 1 1 64 64 GLY CA C 64 44.280 44.280 44.730 -0.450 19510 8771 1 17 . 1 1 64 64 GLY H H 64 8.706 8.706 7.942 0.764 19510 8772 1 17 . 1 1 65 65 ASP N N 65 121.977 121.977 121.336 0.641 19510 8773 1 17 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.806 -0.143 19510 8774 1 17 . 1 1 65 65 ASP CA C 65 55.765 55.765 53.773 1.992 19510 8775 1 17 . 1 1 65 65 ASP CB C 65 39.579 39.579 40.866 -1.287 19510 8776 1 17 . 1 1 65 65 ASP H H 65 8.661 8.661 7.720 0.941 19510 8777 1 17 . 1 1 66 66 GLU N N 66 120.065 120.065 120.017 0.048 19510 8778 1 17 . 1 1 66 66 GLU HA H 66 4.437 4.437 3.799 0.638 19510 8779 1 17 . 1 1 66 66 GLU CA C 66 57.520 57.520 59.564 -2.044 19510 8780 1 17 . 1 1 66 66 GLU CB C 66 27.598 27.598 29.267 -1.669 19510 8781 1 17 . 1 1 66 66 GLU H H 66 8.643 8.643 8.430 0.213 19510 8782 1 17 . 1 1 67 67 ASP N N 67 120.033 120.033 118.482 1.551 19510 8783 1 17 . 1 1 67 67 ASP HA H 67 4.609 4.609 4.184 0.425 19510 8784 1 17 . 1 1 67 67 ASP CA C 67 55.601 55.601 56.817 -1.216 19510 8785 1 17 . 1 1 67 67 ASP CB C 67 39.106 39.106 40.312 -1.206 19510 8786 1 17 . 1 1 67 67 ASP H H 67 8.272 8.272 8.311 -0.039 19510 8787 1 17 . 1 1 68 68 VAL N N 68 123.206 123.206 118.097 5.109 19510 8788 1 17 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.726 0.091 19510 8789 1 17 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.550 0.165 19510 8790 1 17 . 1 1 68 68 VAL CB C 68 30.705 30.705 31.625 -0.920 19510 8791 1 17 . 1 1 68 68 VAL H H 68 8.045 8.045 7.768 0.277 19510 8792 1 17 . 1 1 69 69 PHE N N 69 120.600 120.600 117.794 2.806 19510 8793 1 17 . 1 1 69 69 PHE HA H 69 4.158 4.158 4.883 -0.725 19510 8794 1 17 . 1 1 69 69 PHE CA C 69 61.013 61.013 57.945 3.068 19510 8795 1 17 . 1 1 69 69 PHE CB C 69 37.455 37.455 38.949 -1.494 19510 8796 1 17 . 1 1 69 69 PHE H H 69 8.488 8.488 7.455 1.032 19510 8797 1 17 . 1 1 70 70 ARG N N 70 117.820 117.820 121.125 -3.305 19510 8798 1 17 . 1 1 70 70 ARG HA H 70 3.755 3.755 3.757 -0.002 19510 8799 1 17 . 1 1 70 70 ARG C C 70 178.813 178.813 177.850 0.963 19510 8800 1 17 . 1 1 70 70 ARG CA C 70 58.184 58.184 59.788 -1.604 19510 8801 1 17 . 1 1 70 70 ARG CB C 70 28.899 28.899 29.363 -0.464 19510 8802 1 17 . 1 1 70 70 ARG H H 70 8.611 8.611 7.484 1.127 19510 8803 1 17 . 1 1 71 71 LYS N N 71 121.726 121.726 119.753 1.973 19510 8804 1 17 . 1 1 71 71 LYS HA H 71 4.253 4.253 4.095 0.158 19510 8805 1 17 . 1 1 71 71 LYS C C 71 177.020 177.020 178.958 -1.938 19510 8806 1 17 . 1 1 71 71 LYS CA C 71 58.490 58.490 59.045 -0.555 19510 8807 1 17 . 1 1 71 71 LYS CB C 71 31.216 31.216 31.463 -0.247 19510 8808 1 17 . 1 1 71 71 LYS H H 71 7.686 7.686 7.674 0.012 19510 8809 1 17 . 1 1 72 72 LEU N N 72 119.355 119.355 121.506 -2.151 19510 8810 1 17 . 1 1 72 72 LEU HA H 72 4.051 4.051 4.000 0.051 19510 8811 1 17 . 1 1 72 72 LEU C C 72 177.378 177.378 179.001 -1.623 19510 8812 1 17 . 1 1 72 72 LEU CA C 72 56.317 56.317 58.148 -1.831 19510 8813 1 17 . 1 1 72 72 LEU CB C 72 41.148 41.148 42.057 -0.909 19510 8814 1 17 . 1 1 72 72 LEU H H 72 8.215 8.215 7.986 0.229 19510 8815 1 17 . 1 1 73 73 ALA N N 73 121.106 121.106 120.387 0.719 19510 8816 1 17 . 1 1 73 73 ALA HA H 73 3.767 3.767 4.003 -0.236 19510 8817 1 17 . 1 1 73 73 ALA C C 73 179.644 179.644 178.989 0.655 19510 8818 1 17 . 1 1 73 73 ALA CA C 73 53.263 53.263 55.240 -1.977 19510 8819 1 17 . 1 1 73 73 ALA CB C 73 15.930 15.930 18.663 -2.733 19510 8820 1 17 . 1 1 73 73 ALA H H 73 9.143 9.143 8.531 0.612 19510 8821 1 17 . 1 1 74 74 ALA N N 74 119.383 119.383 119.092 0.291 19510 8822 1 17 . 1 1 74 74 ALA HA H 74 4.384 4.384 4.187 0.197 19510 8823 1 17 . 1 1 74 74 ALA C C 74 179.752 179.752 180.176 -0.424 19510 8824 1 17 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.013 -0.489 19510 8825 1 17 . 1 1 74 74 ALA CB C 74 17.094 17.094 18.598 -1.504 19510 8826 1 17 . 1 1 74 74 ALA H H 74 7.403 7.403 7.907 -0.504 19510 8827 1 17 . 1 1 75 75 ASP N N 75 120.226 120.226 120.706 -0.480 19510 8828 1 17 . 1 1 75 75 ASP HA H 75 4.523 4.523 4.530 -0.007 19510 8829 1 17 . 1 1 75 75 ASP C C 75 177.704 177.704 177.746 -0.042 19510 8830 1 17 . 1 1 75 75 ASP CA C 75 55.312 55.312 56.960 -1.648 19510 8831 1 17 . 1 1 75 75 ASP CB C 75 38.326 38.326 41.479 -3.153 19510 8832 1 17 . 1 1 75 75 ASP H H 75 8.536 8.536 8.227 0.309 19510 8833 1 17 . 1 1 76 76 LEU N N 76 115.468 115.468 119.010 -3.542 19510 8834 1 17 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.355 0.037 19510 8835 1 17 . 1 1 76 76 LEU C C 76 174.790 174.790 175.308 -0.518 19510 8836 1 17 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.494 -0.870 19510 8837 1 17 . 1 1 76 76 LEU CB C 76 39.594 39.594 42.188 -2.594 19510 8838 1 17 . 1 1 76 76 LEU H H 76 8.612 8.612 8.300 0.312 19510 8839 1 17 . 1 1 77 77 GLU N N 77 124.725 124.725 120.398 4.327 19510 8840 1 17 . 1 1 77 77 GLU HA H 77 4.343 4.343 4.118 0.225 19510 8841 1 17 . 1 1 77 77 GLU C C 77 176.953 176.953 177.393 -0.440 19510 8842 1 17 . 1 1 77 77 GLU CA C 77 57.345 57.345 58.017 -0.671 19510 8843 1 17 . 1 1 77 77 GLU CB C 77 27.555 27.555 29.611 -2.056 19510 8844 1 17 . 1 1 77 77 GLU H H 77 7.158 7.158 7.053 0.105 19510 8845 1 17 . 1 1 78 78 GLY N N 78 118.105 118.105 114.309 3.796 19510 8846 1 17 . 1 1 78 78 GLY C C 78 173.075 173.075 174.986 -1.911 19510 8847 1 17 . 1 1 78 78 GLY CA C 78 44.269 44.269 45.592 -1.323 19510 8848 1 17 . 1 1 78 78 GLY H H 78 9.392 9.392 8.976 0.416 19510 8849 1 17 . 1 1 79 79 LYS N N 79 120.237 120.237 119.704 0.533 19510 8850 1 17 . 1 1 79 79 LYS HA H 79 4.663 4.663 4.535 0.128 19510 8851 1 17 . 1 1 79 79 LYS C C 79 175.050 175.050 174.737 0.313 19510 8852 1 17 . 1 1 79 79 LYS CA C 79 54.683 54.683 55.768 -1.085 19510 8853 1 17 . 1 1 79 79 LYS CB C 79 33.435 33.435 33.794 -0.359 19510 8854 1 17 . 1 1 79 79 LYS H H 79 8.809 8.809 8.429 0.380 19510 8855 1 17 . 1 1 80 80 ALA N N 80 121.135 121.135 121.414 -0.279 19510 8856 1 17 . 1 1 80 80 ALA HA H 80 4.893 4.893 4.738 0.155 19510 8857 1 17 . 1 1 80 80 ALA C C 80 174.051 174.051 174.403 -0.352 19510 8858 1 17 . 1 1 80 80 ALA CA C 80 50.289 50.289 51.492 -1.203 19510 8859 1 17 . 1 1 80 80 ALA CB C 80 20.483 20.483 21.531 -1.048 19510 8860 1 17 . 1 1 80 80 ALA H H 80 8.169 8.169 7.649 0.520 19510 8861 1 17 . 1 1 81 81 ASP N N 81 121.569 121.569 118.441 3.128 19510 8862 1 17 . 1 1 81 81 ASP HA H 81 4.898 4.898 4.959 -0.061 19510 8863 1 17 . 1 1 81 81 ASP CA C 81 50.397 50.397 53.062 -2.665 19510 8864 1 17 . 1 1 81 81 ASP CB C 81 40.401 40.401 43.616 -3.215 19510 8865 1 17 . 1 1 81 81 ASP H H 81 8.330 8.330 8.399 -0.069 19510 8866 1 17 . 1 1 82 82 GLU N N 82 119.843 119.843 120.624 -0.781 19510 8867 1 17 . 1 1 82 82 GLU HA H 82 4.185 4.185 3.994 0.191 19510 8868 1 17 . 1 1 82 82 GLU C C 82 177.350 177.350 177.965 -0.615 19510 8869 1 17 . 1 1 82 82 GLU CA C 82 59.676 59.676 59.021 0.655 19510 8870 1 17 . 1 1 82 82 GLU CB C 82 27.893 27.893 29.570 -1.677 19510 8871 1 17 . 1 1 82 82 GLU H H 82 8.923 8.923 8.896 0.027 19510 8872 1 17 . 1 1 83 83 GLU N N 83 119.348 119.348 115.797 3.551 19510 8873 1 17 . 1 1 83 83 GLU HA H 83 4.177 4.177 4.261 -0.084 19510 8874 1 17 . 1 1 83 83 GLU C C 83 178.794 178.794 178.042 0.752 19510 8875 1 17 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.202 0.880 19510 8876 1 17 . 1 1 83 83 GLU CB C 83 28.879 28.879 29.206 -0.327 19510 8877 1 17 . 1 1 83 83 GLU H H 83 8.832 8.832 8.493 0.339 19510 8878 1 17 . 1 1 84 84 THR N N 84 119.892 119.892 117.808 2.084 19510 8879 1 17 . 1 1 84 84 THR HA H 84 4.140 4.140 4.081 0.059 19510 8880 1 17 . 1 1 84 84 THR C C 84 176.165 176.165 175.942 0.223 19510 8881 1 17 . 1 1 84 84 THR CA C 84 65.721 65.721 66.865 -1.144 19510 8882 1 17 . 1 1 84 84 THR CB C 84 66.751 66.751 68.941 -2.190 19510 8883 1 17 . 1 1 84 84 THR H H 84 8.576 8.576 7.592 0.984 19510 8884 1 17 . 1 1 85 85 ILE N N 85 123.655 123.655 120.770 2.885 19510 8885 1 17 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.511 0.308 19510 8886 1 17 . 1 1 85 85 ILE C C 85 174.809 174.809 177.027 -2.218 19510 8887 1 17 . 1 1 85 85 ILE CA C 85 64.891 64.891 65.584 -0.693 19510 8888 1 17 . 1 1 85 85 ILE CB C 85 37.797 37.797 37.907 -0.110 19510 8889 1 17 . 1 1 85 85 ILE H H 85 8.572 8.572 8.049 0.523 19510 8890 1 17 . 1 1 86 86 ARG N N 86 119.670 119.670 118.615 1.055 19510 8891 1 17 . 1 1 86 86 ARG HA H 86 4.186 4.186 3.460 0.726 19510 8892 1 17 . 1 1 86 86 ARG CA C 86 58.766 58.766 58.463 0.303 19510 8893 1 17 . 1 1 86 86 ARG CB C 86 28.165 28.165 28.345 -0.180 19510 8894 1 17 . 1 1 86 86 ARG H H 86 9.092 9.092 7.933 1.159 19510 8895 1 17 . 1 1 87 87 ALA N N 87 121.431 121.431 123.172 -1.741 19510 8896 1 17 . 1 1 87 87 ALA HA H 87 4.307 4.307 3.909 0.398 19510 8897 1 17 . 1 1 87 87 ALA CA C 87 53.558 53.558 54.700 -1.143 19510 8898 1 17 . 1 1 87 87 ALA CB C 87 16.382 16.382 17.923 -1.541 19510 8899 1 17 . 1 1 87 87 ALA H H 87 8.242 8.242 7.529 0.713 19510 8900 1 17 . 1 1 88 88 LYS N N 88 122.742 122.742 117.544 5.198 19510 8901 1 17 . 1 1 88 88 LYS HA H 88 4.011 4.011 3.756 0.255 19510 8902 1 17 . 1 1 88 88 LYS CA C 88 55.172 55.172 58.735 -3.563 19510 8903 1 17 . 1 1 88 88 LYS CB C 88 29.078 29.078 31.476 -2.398 19510 8904 1 17 . 1 1 88 88 LYS H H 88 8.182 8.182 7.909 0.273 19510 8905 1 17 . 1 1 89 89 MET N N 89 118.686 118.686 116.535 2.151 19510 8906 1 17 . 1 1 89 89 MET HA H 89 3.854 3.854 4.119 -0.265 19510 8907 1 17 . 1 1 89 89 MET CA C 89 59.175 59.175 58.514 0.661 19510 8908 1 17 . 1 1 89 89 MET CB C 89 31.697 31.697 32.702 -1.005 19510 8909 1 17 . 1 1 89 89 MET H H 89 8.504 8.504 7.391 1.113 19510 8910 1 17 . 1 1 90 90 VAL N N 90 120.987 120.987 116.944 4.043 19510 8911 1 17 . 1 1 90 90 VAL HA H 90 3.853 3.853 3.777 0.076 19510 8912 1 17 . 1 1 90 90 VAL C C 90 178.017 178.017 178.086 -0.069 19510 8913 1 17 . 1 1 90 90 VAL CA C 90 64.868 64.868 64.470 0.398 19510 8914 1 17 . 1 1 90 90 VAL CB C 90 31.054 31.054 31.466 -0.412 19510 8915 1 17 . 1 1 90 90 VAL H H 90 7.573 7.573 7.421 0.152 19510 8916 1 17 . 1 1 91 91 GLU N N 91 124.236 124.236 121.665 2.571 19510 8917 1 17 . 1 1 91 91 GLU HA H 91 3.802 3.802 3.962 -0.160 19510 8918 1 17 . 1 1 91 91 GLU C C 91 177.612 177.612 178.677 -1.065 19510 8919 1 17 . 1 1 91 91 GLU CA C 91 58.414 58.414 59.573 -1.159 19510 8920 1 17 . 1 1 91 91 GLU CB C 91 30.606 30.606 29.577 1.029 19510 8921 1 17 . 1 1 91 91 GLU H H 91 8.494 8.494 8.149 0.345 19510 8922 1 17 . 1 1 92 92 LEU N N 92 114.818 114.818 117.879 -3.061 19510 8923 1 17 . 1 1 92 92 LEU HA H 92 4.336 4.336 4.416 -0.080 19510 8924 1 17 . 1 1 92 92 LEU C C 92 177.928 177.928 177.967 -0.039 19510 8925 1 17 . 1 1 92 92 LEU CA C 92 56.351 56.351 53.620 2.731 19510 8926 1 17 . 1 1 92 92 LEU CB C 92 39.780 39.780 39.375 0.405 19510 8927 1 17 . 1 1 92 92 LEU H H 92 8.833 8.833 7.764 1.069 19510 8928 1 17 . 1 1 93 93 ARG N N 93 123.398 123.398 121.144 2.254 19510 8929 1 17 . 1 1 93 93 ARG HA H 93 3.997 3.997 3.862 0.135 19510 8930 1 17 . 1 1 93 93 ARG C C 93 176.350 176.350 177.791 -1.441 19510 8931 1 17 . 1 1 93 93 ARG CA C 93 58.848 58.848 59.636 -0.788 19510 8932 1 17 . 1 1 93 93 ARG CB C 93 28.592 28.592 30.000 -1.408 19510 8933 1 17 . 1 1 93 93 ARG H H 93 7.746 7.746 7.489 0.257 19510 8934 1 17 . 1 1 94 94 ALA N N 94 122.480 122.480 118.835 3.645 19510 8935 1 17 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.272 -0.011 19510 8936 1 17 . 1 1 94 94 ALA C C 94 179.805 179.805 178.672 1.133 19510 8937 1 17 . 1 1 94 94 ALA CA C 94 54.529 54.529 54.041 0.487 19510 8938 1 17 . 1 1 94 94 ALA CB C 94 16.423 16.423 18.920 -2.497 19510 8939 1 17 . 1 1 94 94 ALA H H 94 7.322 7.322 8.487 -1.165 19510 8940 1 17 . 1 1 95 95 THR N N 95 116.936 116.936 116.894 0.042 19510 8941 1 17 . 1 1 95 95 THR HA H 95 4.045 4.045 3.813 0.232 19510 8942 1 17 . 1 1 95 95 THR C C 95 175.007 175.007 176.460 -1.453 19510 8943 1 17 . 1 1 95 95 THR CA C 95 64.868 64.868 67.042 -2.174 19510 8944 1 17 . 1 1 95 95 THR CB C 95 67.633 67.633 68.226 -0.593 19510 8945 1 17 . 1 1 95 95 THR H H 95 8.275 8.275 8.067 0.208 19510 8946 1 17 . 1 1 96 96 ALA N N 96 123.969 123.969 123.691 0.278 19510 8947 1 17 . 1 1 96 96 ALA HA H 96 3.904 3.904 4.050 -0.146 19510 8948 1 17 . 1 1 96 96 ALA C C 96 178.184 178.184 179.037 -0.853 19510 8949 1 17 . 1 1 96 96 ALA CA C 96 54.098 54.098 55.028 -0.930 19510 8950 1 17 . 1 1 96 96 ALA CB C 96 18.118 18.118 18.494 -0.376 19510 8951 1 17 . 1 1 96 96 ALA H H 96 8.688 8.688 8.262 0.426 19510 8952 1 17 . 1 1 97 97 ARG N N 97 117.393 117.393 116.146 1.247 19510 8953 1 17 . 1 1 97 97 ARG HA H 97 3.857 3.857 4.257 -0.400 19510 8954 1 17 . 1 1 97 97 ARG C C 97 176.770 176.770 178.519 -1.749 19510 8955 1 17 . 1 1 97 97 ARG CA C 97 58.669 58.669 58.653 0.016 19510 8956 1 17 . 1 1 97 97 ARG CB C 97 28.932 28.932 30.178 -1.246 19510 8957 1 17 . 1 1 97 97 ARG H H 97 8.073 8.073 7.856 0.217 19510 8958 1 17 . 1 1 98 98 GLU N N 98 118.029 118.029 120.743 -2.714 19510 8959 1 17 . 1 1 98 98 GLU HA H 98 4.180 4.180 4.056 0.124 19510 8960 1 17 . 1 1 98 98 GLU C C 98 178.865 178.865 178.948 -0.083 19510 8961 1 17 . 1 1 98 98 GLU CA C 98 57.867 57.867 59.461 -1.594 19510 8962 1 17 . 1 1 98 98 GLU CB C 98 27.704 27.704 29.636 -1.932 19510 8963 1 17 . 1 1 98 98 GLU H H 98 7.896 7.896 8.177 -0.281 19510 8964 1 17 . 1 1 99 99 GLN N N 99 119.735 119.735 118.081 1.654 19510 8965 1 17 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.089 0.096 19510 8966 1 17 . 1 1 99 99 GLN C C 99 178.146 178.146 178.613 -0.467 19510 8967 1 17 . 1 1 99 99 GLN CA C 99 57.748 57.748 58.852 -1.104 19510 8968 1 17 . 1 1 99 99 GLN CB C 99 27.529 27.529 28.592 -1.063 19510 8969 1 17 . 1 1 99 99 GLN H H 99 8.320 8.320 8.369 -0.049 19510 8970 1 17 . 1 1 100 100 ILE N N 100 119.676 119.676 117.845 1.831 19510 8971 1 17 . 1 1 100 100 ILE HA H 100 3.993 3.993 3.993 0.000 19510 8972 1 17 . 1 1 100 100 ILE C C 100 178.315 178.315 177.817 0.498 19510 8973 1 17 . 1 1 100 100 ILE CA C 100 60.935 60.935 63.036 -2.101 19510 8974 1 17 . 1 1 100 100 ILE CB C 100 34.935 34.935 37.218 -2.283 19510 8975 1 17 . 1 1 100 100 ILE H H 100 8.398 8.398 8.107 0.291 19510 8976 1 17 . 1 1 101 101 ILE N N 101 120.600 120.600 117.456 3.144 19510 8977 1 17 . 1 1 101 101 ILE HA H 101 4.027 4.027 3.870 0.157 19510 8978 1 17 . 1 1 101 101 ILE C C 101 177.006 177.006 178.044 -1.038 19510 8979 1 17 . 1 1 101 101 ILE CA C 101 62.382 62.382 63.519 -1.137 19510 8980 1 17 . 1 1 101 101 ILE CB C 101 36.195 36.195 37.880 -1.685 19510 8981 1 17 . 1 1 101 101 ILE H H 101 8.350 8.350 7.715 0.635 19510 8982 1 17 . 1 1 102 102 SER N N 102 116.172 116.172 115.598 0.574 19510 8983 1 17 . 1 1 102 102 SER HA H 102 4.589 4.589 4.320 0.269 19510 8984 1 17 . 1 1 102 102 SER C C 102 173.845 173.845 175.207 -1.362 19510 8985 1 17 . 1 1 102 102 SER CA C 102 58.735 58.735 60.864 -2.130 19510 8986 1 17 . 1 1 102 102 SER CB C 102 62.254 62.254 63.888 -1.633 19510 8987 1 17 . 1 1 102 102 SER H H 102 7.896 7.896 7.778 0.118 19510 8988 1 17 . 1 1 103 103 GLU N N 103 122.642 122.642 120.419 2.223 19510 8989 1 17 . 1 1 103 103 GLU HA H 103 4.473 4.473 4.597 -0.124 19510 8990 1 17 . 1 1 103 103 GLU C C 103 175.095 175.095 175.151 -0.056 19510 8991 1 17 . 1 1 103 103 GLU CA C 103 55.006 55.006 54.843 0.163 19510 8992 1 17 . 1 1 103 103 GLU CB C 103 28.770 28.770 30.312 -1.542 19510 8993 1 17 . 1 1 103 103 GLU H H 103 7.780 7.780 8.163 -0.383 19510 8994 1 18 . 1 1 4 4 PHE N N 4 122.548 122.548 122.206 0.342 19510 8995 1 18 . 1 1 4 4 PHE HA H 4 4.680 4.680 4.257 0.423 19510 8996 1 18 . 1 1 4 4 PHE CA C 4 57.087 57.087 57.365 -0.278 19510 8997 1 18 . 1 1 4 4 PHE CB C 4 38.126 38.126 38.982 -0.856 19510 8998 1 18 . 1 1 4 4 PHE H H 4 8.328 8.328 8.084 0.244 19510 8999 1 18 . 1 1 7 7 ARG N N 7 121.962 121.962 126.042 -4.080 19510 9000 1 18 . 1 1 7 7 ARG HA H 7 4.265 4.265 4.545 -0.280 19510 9001 1 18 . 1 1 7 7 ARG C C 7 176.683 176.683 175.559 1.124 19510 9002 1 18 . 1 1 7 7 ARG CA C 7 56.502 56.502 55.185 1.317 19510 9003 1 18 . 1 1 7 7 ARG CB C 7 28.840 28.840 31.661 -2.821 19510 9004 1 18 . 1 1 7 7 ARG H H 7 8.339 8.339 8.186 0.153 19510 9005 1 18 . 1 1 8 8 GLU N N 8 121.095 121.095 120.649 0.446 19510 9006 1 18 . 1 1 8 8 GLU HA H 8 4.233 4.233 4.219 0.014 19510 9007 1 18 . 1 1 8 8 GLU C C 8 176.964 176.964 176.229 0.735 19510 9008 1 18 . 1 1 8 8 GLU CA C 8 57.517 57.517 56.825 0.692 19510 9009 1 18 . 1 1 8 8 GLU CB C 8 27.744 27.744 30.332 -2.588 19510 9010 1 18 . 1 1 8 8 GLU H H 8 8.384 8.384 8.529 -0.145 19510 9011 1 18 . 1 1 9 9 ARG N N 9 121.320 121.320 120.745 0.575 19510 9012 1 18 . 1 1 9 9 ARG HA H 9 4.310 4.310 4.303 0.007 19510 9013 1 18 . 1 1 9 9 ARG C C 9 176.563 176.563 176.459 0.104 19510 9014 1 18 . 1 1 9 9 ARG CA C 9 56.233 56.233 56.468 -0.235 19510 9015 1 18 . 1 1 9 9 ARG CB C 9 28.977 28.977 30.608 -1.631 19510 9016 1 18 . 1 1 9 9 ARG H H 9 8.291 8.291 8.394 -0.103 19510 9017 1 18 . 1 1 10 10 ALA N N 10 123.900 123.900 121.524 2.376 19510 9018 1 18 . 1 1 10 10 ALA HA H 10 4.333 4.333 4.321 0.012 19510 9019 1 18 . 1 1 10 10 ALA C C 10 178.129 178.129 175.669 2.460 19510 9020 1 18 . 1 1 10 10 ALA CA C 10 52.348 52.348 52.687 -0.339 19510 9021 1 18 . 1 1 10 10 ALA CB C 10 17.396 17.396 17.305 0.091 19510 9022 1 18 . 1 1 10 10 ALA H H 10 8.225 8.225 8.422 -0.197 19510 9023 1 18 . 1 1 11 11 HIS N N 11 117.829 117.829 113.247 4.582 19510 9024 1 18 . 1 1 11 11 HIS HA H 11 4.740 4.740 4.666 0.074 19510 9025 1 18 . 1 1 11 11 HIS C C 11 175.013 175.013 174.734 0.279 19510 9026 1 18 . 1 1 11 11 HIS CA C 11 55.041 55.041 55.356 -0.315 19510 9027 1 18 . 1 1 11 11 HIS CB C 11 27.391 27.391 30.649 -3.258 19510 9028 1 18 . 1 1 11 11 HIS H H 11 8.500 8.500 8.351 0.149 19510 9029 1 18 . 1 1 12 12 GLU N N 12 121.398 121.398 122.775 -1.377 19510 9030 1 18 . 1 1 12 12 GLU HA H 12 4.326 4.326 3.889 0.437 19510 9031 1 18 . 1 1 12 12 GLU C C 12 176.808 176.808 176.501 0.307 19510 9032 1 18 . 1 1 12 12 GLU CA C 12 56.517 56.517 56.846 -0.329 19510 9033 1 18 . 1 1 12 12 GLU CB C 12 28.289 28.289 27.997 0.292 19510 9034 1 18 . 1 1 12 12 GLU H H 12 8.456 8.456 8.322 0.134 19510 9035 1 18 . 1 1 13 13 ALA N N 13 124.231 124.231 126.252 -2.021 19510 9036 1 18 . 1 1 13 13 ALA HA H 13 4.309 4.309 3.916 0.393 19510 9037 1 18 . 1 1 13 13 ALA C C 13 178.197 178.197 177.305 0.892 19510 9038 1 18 . 1 1 13 13 ALA CA C 13 53.511 53.511 53.705 -0.194 19510 9039 1 18 . 1 1 13 13 ALA CB C 13 17.174 17.174 17.540 -0.366 19510 9040 1 18 . 1 1 13 13 ALA H H 13 8.444 8.444 8.627 -0.183 19510 9041 1 18 . 1 1 14 14 LYS N N 14 120.159 120.159 117.578 2.581 19510 9042 1 18 . 1 1 14 14 LYS HA H 14 4.257 4.257 4.372 -0.115 19510 9043 1 18 . 1 1 14 14 LYS C C 14 176.757 176.757 177.726 -0.969 19510 9044 1 18 . 1 1 14 14 LYS CA C 14 56.461 56.461 57.275 -0.814 19510 9045 1 18 . 1 1 14 14 LYS CB C 14 31.191 31.191 32.623 -1.432 19510 9046 1 18 . 1 1 14 14 LYS H H 14 8.136 8.136 7.513 0.623 19510 9047 1 18 . 1 1 15 15 PHE N N 15 118.588 118.588 120.299 -1.711 19510 9048 1 18 . 1 1 15 15 PHE HA H 15 4.527 4.527 4.313 0.214 19510 9049 1 18 . 1 1 15 15 PHE C C 15 175.635 175.635 177.114 -1.479 19510 9050 1 18 . 1 1 15 15 PHE CA C 15 57.992 57.992 60.644 -2.651 19510 9051 1 18 . 1 1 15 15 PHE CB C 15 37.908 37.908 39.139 -1.231 19510 9052 1 18 . 1 1 15 15 PHE H H 15 7.998 7.998 8.564 -0.566 19510 9053 1 18 . 1 1 16 16 ALA N N 16 122.847 122.847 119.816 3.031 19510 9054 1 18 . 1 1 16 16 ALA HA H 16 4.317 4.317 4.288 0.029 19510 9055 1 18 . 1 1 16 16 ALA C C 16 177.641 177.641 177.664 -0.023 19510 9056 1 18 . 1 1 16 16 ALA CA C 16 52.317 52.317 53.524 -1.207 19510 9057 1 18 . 1 1 16 16 ALA CB C 16 17.378 17.378 18.018 -0.640 19510 9058 1 18 . 1 1 16 16 ALA H H 16 8.172 8.172 8.419 -0.247 19510 9059 1 18 . 1 1 17 17 HIS N N 17 115.904 115.904 116.695 -0.791 19510 9060 1 18 . 1 1 17 17 HIS HA H 17 4.839 4.839 4.877 -0.038 19510 9061 1 18 . 1 1 17 17 HIS CA C 17 54.594 54.594 56.657 -2.063 19510 9062 1 18 . 1 1 17 17 HIS CB C 17 27.532 27.532 32.889 -5.357 19510 9063 1 18 . 1 1 17 17 HIS H H 17 8.218 8.218 8.191 0.027 19510 9064 1 18 . 1 1 18 18 ASP N N 18 121.432 121.432 118.947 2.485 19510 9065 1 18 . 1 1 18 18 ASP HA H 18 4.758 4.758 4.918 -0.160 19510 9066 1 18 . 1 1 18 18 ASP CA C 18 53.004 53.004 53.676 -0.672 19510 9067 1 18 . 1 1 18 18 ASP CB C 18 39.571 39.571 43.915 -4.344 19510 9068 1 18 . 1 1 18 18 ASP H H 18 8.103 8.103 7.550 0.553 19510 9069 1 18 . 1 1 19 19 ALA N N 19 126.628 126.628 123.807 2.821 19510 9070 1 18 . 1 1 19 19 ALA HA H 19 4.303 4.303 4.107 0.196 19510 9071 1 18 . 1 1 19 19 ALA CA C 19 53.177 53.177 54.784 -1.607 19510 9072 1 18 . 1 1 19 19 ALA CB C 19 17.231 17.231 18.921 -1.690 19510 9073 1 18 . 1 1 19 19 ALA H H 19 8.588 8.588 8.545 0.043 19510 9074 1 18 . 1 1 20 20 GLU N N 20 119.826 119.826 119.499 0.327 19510 9075 1 18 . 1 1 20 20 GLU HA H 20 4.314 4.314 3.993 0.321 19510 9076 1 18 . 1 1 20 20 GLU CA C 20 57.403 57.403 59.707 -2.304 19510 9077 1 18 . 1 1 20 20 GLU CB C 20 27.780 27.780 29.245 -1.466 19510 9078 1 18 . 1 1 20 20 GLU H H 20 8.391 8.391 8.629 -0.238 19510 9079 1 18 . 1 1 21 21 LEU N N 21 122.268 122.268 116.382 5.886 19510 9080 1 18 . 1 1 21 21 LEU HA H 21 4.179 4.179 4.142 0.037 19510 9081 1 18 . 1 1 21 21 LEU CA C 21 56.531 56.531 57.246 -0.716 19510 9082 1 18 . 1 1 21 21 LEU CB C 21 40.255 40.255 40.331 -0.076 19510 9083 1 18 . 1 1 21 21 LEU H H 21 8.134 8.134 8.301 -0.167 19510 9084 1 18 . 1 1 22 22 ASN N N 22 118.005 118.005 117.956 0.049 19510 9085 1 18 . 1 1 22 22 ASN HA H 22 4.665 4.665 3.709 0.956 19510 9086 1 18 . 1 1 22 22 ASN CA C 22 55.493 55.493 55.421 0.072 19510 9087 1 18 . 1 1 22 22 ASN CB C 22 37.084 37.084 37.963 -0.879 19510 9088 1 18 . 1 1 22 22 ASN H H 22 8.456 8.456 7.428 1.028 19510 9089 1 18 . 1 1 23 23 PHE N N 23 121.379 121.379 121.549 -0.170 19510 9090 1 18 . 1 1 23 23 PHE HA H 23 4.509 4.509 4.090 0.419 19510 9091 1 18 . 1 1 23 23 PHE CA C 23 59.496 59.496 61.789 -2.293 19510 9092 1 18 . 1 1 23 23 PHE CB C 23 37.380 37.380 39.209 -1.829 19510 9093 1 18 . 1 1 23 23 PHE H H 23 8.453 8.453 8.534 -0.081 19510 9094 1 18 . 1 1 24 24 LYS N N 24 120.674 120.674 117.452 3.222 19510 9095 1 18 . 1 1 24 24 LYS HA H 24 4.191 4.191 4.015 0.176 19510 9096 1 18 . 1 1 24 24 LYS C C 24 179.309 179.309 177.781 1.528 19510 9097 1 18 . 1 1 24 24 LYS CA C 24 58.132 58.132 59.479 -1.347 19510 9098 1 18 . 1 1 24 24 LYS CB C 24 31.828 31.828 32.522 -0.694 19510 9099 1 18 . 1 1 24 24 LYS H H 24 8.504 8.504 8.029 0.475 19510 9100 1 18 . 1 1 25 25 ALA N N 25 123.584 123.584 120.970 2.614 19510 9101 1 18 . 1 1 25 25 ALA HA H 25 4.146 4.146 4.270 -0.124 19510 9102 1 18 . 1 1 25 25 ALA C C 25 178.243 178.243 180.484 -2.241 19510 9103 1 18 . 1 1 25 25 ALA CA C 25 53.760 53.760 54.672 -0.912 19510 9104 1 18 . 1 1 25 25 ALA CB C 25 16.827 16.827 19.010 -2.183 19510 9105 1 18 . 1 1 25 25 ALA H H 25 8.841 8.841 7.554 1.287 19510 9106 1 18 . 1 1 26 26 GLU N N 26 122.239 122.239 118.575 3.664 19510 9107 1 18 . 1 1 26 26 GLU HA H 26 4.083 4.083 3.903 0.180 19510 9108 1 18 . 1 1 26 26 GLU C C 26 177.265 177.265 177.677 -0.412 19510 9109 1 18 . 1 1 26 26 GLU CA C 26 57.850 57.850 59.177 -1.327 19510 9110 1 18 . 1 1 26 26 GLU CB C 26 28.891 28.891 29.704 -0.813 19510 9111 1 18 . 1 1 26 26 GLU H H 26 8.482 8.482 8.261 0.221 19510 9112 1 18 . 1 1 27 27 ALA N N 27 122.124 122.124 117.388 4.736 19510 9113 1 18 . 1 1 27 27 ALA HA H 27 4.352 4.352 4.364 -0.012 19510 9114 1 18 . 1 1 27 27 ALA C C 27 180.552 180.552 177.508 3.044 19510 9115 1 18 . 1 1 27 27 ALA CA C 27 53.519 53.519 51.528 1.991 19510 9116 1 18 . 1 1 27 27 ALA CB C 27 16.410 16.410 18.442 -2.033 19510 9117 1 18 . 1 1 27 27 ALA H H 27 8.043 8.043 7.761 0.282 19510 9118 1 18 . 1 1 28 28 ARG N N 28 120.375 120.375 118.022 2.353 19510 9119 1 18 . 1 1 28 28 ARG HA H 28 4.441 4.441 4.573 -0.132 19510 9120 1 18 . 1 1 28 28 ARG C C 28 176.309 176.309 177.124 -0.815 19510 9121 1 18 . 1 1 28 28 ARG CA C 28 55.369 55.369 55.954 -0.585 19510 9122 1 18 . 1 1 28 28 ARG CB C 28 28.480 28.480 31.327 -2.847 19510 9123 1 18 . 1 1 28 28 ARG H H 28 8.101 8.101 7.945 0.156 19510 9124 1 18 . 1 1 29 29 ARG N N 29 122.734 122.734 119.597 3.137 19510 9125 1 18 . 1 1 29 29 ARG HA H 29 3.743 3.743 4.027 -0.284 19510 9126 1 18 . 1 1 29 29 ARG CA C 29 58.672 58.672 59.294 -0.622 19510 9127 1 18 . 1 1 29 29 ARG CB C 29 29.051 29.051 29.743 -0.692 19510 9128 1 18 . 1 1 29 29 ARG H H 29 8.901 8.901 7.370 1.531 19510 9129 1 18 . 1 1 30 30 ASN N N 30 119.961 119.961 114.358 5.603 19510 9130 1 18 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.741 -0.107 19510 9131 1 18 . 1 1 30 30 ASN C C 30 175.888 175.888 176.409 -0.521 19510 9132 1 18 . 1 1 30 30 ASN CA C 30 55.147 55.147 54.711 0.436 19510 9133 1 18 . 1 1 30 30 ASN CB C 30 35.418 35.418 38.607 -3.189 19510 9134 1 18 . 1 1 30 30 ASN H H 30 8.429 8.429 8.355 0.074 19510 9135 1 18 . 1 1 31 31 ARG N N 31 123.400 123.400 122.245 1.155 19510 9136 1 18 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.072 0.210 19510 9137 1 18 . 1 1 31 31 ARG C C 31 177.804 177.804 178.114 -0.310 19510 9138 1 18 . 1 1 31 31 ARG CA C 31 58.132 58.132 58.893 -0.761 19510 9139 1 18 . 1 1 31 31 ARG CB C 31 27.636 27.636 29.783 -2.147 19510 9140 1 18 . 1 1 31 31 ARG H H 31 8.052 8.052 7.670 0.382 19510 9141 1 18 . 1 1 32 32 LEU N N 32 119.872 119.872 118.936 0.936 19510 9142 1 18 . 1 1 32 32 LEU HA H 32 4.318 4.318 4.435 -0.117 19510 9143 1 18 . 1 1 32 32 LEU C C 32 180.602 180.602 179.208 1.394 19510 9144 1 18 . 1 1 32 32 LEU CA C 32 56.471 56.471 57.678 -1.207 19510 9145 1 18 . 1 1 32 32 LEU CB C 32 40.558 40.558 41.855 -1.297 19510 9146 1 18 . 1 1 32 32 LEU H H 32 8.752 8.752 7.544 1.208 19510 9147 1 18 . 1 1 33 33 LEU N N 33 124.468 124.468 119.119 5.349 19510 9148 1 18 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.044 0.257 19510 9149 1 18 . 1 1 33 33 LEU C C 33 177.992 177.992 179.098 -1.106 19510 9150 1 18 . 1 1 33 33 LEU CA C 33 56.482 56.482 57.871 -1.389 19510 9151 1 18 . 1 1 33 33 LEU CB C 33 41.626 41.626 41.334 0.292 19510 9152 1 18 . 1 1 33 33 LEU H H 33 9.273 9.273 8.016 1.257 19510 9153 1 18 . 1 1 34 34 GLY N N 34 109.045 109.045 104.804 4.241 19510 9154 1 18 . 1 1 34 34 GLY C C 34 174.530 174.530 175.603 -1.073 19510 9155 1 18 . 1 1 34 34 GLY CA C 34 45.447 45.447 46.839 -1.392 19510 9156 1 18 . 1 1 34 34 GLY H H 34 8.907 8.907 8.090 0.817 19510 9157 1 18 . 1 1 35 35 GLU N N 35 123.414 123.414 122.114 1.300 19510 9158 1 18 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.239 -0.062 19510 9159 1 18 . 1 1 35 35 GLU C C 35 178.866 178.866 178.734 0.132 19510 9160 1 18 . 1 1 35 35 GLU CA C 35 59.564 59.564 58.205 1.359 19510 9161 1 18 . 1 1 35 35 GLU CB C 35 27.692 27.692 29.453 -1.761 19510 9162 1 18 . 1 1 35 35 GLU H H 35 8.935 8.935 7.810 1.125 19510 9163 1 18 . 1 1 36 36 TRP N N 36 124.774 124.774 122.569 2.205 19510 9164 1 18 . 1 1 36 36 TRP HA H 36 4.604 4.604 4.334 0.270 19510 9165 1 18 . 1 1 36 36 TRP C C 36 177.618 177.618 177.389 0.229 19510 9166 1 18 . 1 1 36 36 TRP CA C 36 58.867 58.867 60.634 -1.767 19510 9167 1 18 . 1 1 36 36 TRP CB C 36 26.021 26.021 29.452 -3.431 19510 9168 1 18 . 1 1 36 36 TRP H H 36 8.531 8.531 7.770 0.761 19510 9169 1 18 . 1 1 37 37 ALA N N 37 123.777 123.777 121.097 2.680 19510 9170 1 18 . 1 1 37 37 ALA HA H 37 3.403 3.403 3.155 0.248 19510 9171 1 18 . 1 1 37 37 ALA C C 37 177.427 177.427 179.021 -1.594 19510 9172 1 18 . 1 1 37 37 ALA CA C 37 53.148 53.148 54.280 -1.132 19510 9173 1 18 . 1 1 37 37 ALA CB C 37 18.440 18.440 17.777 0.663 19510 9174 1 18 . 1 1 37 37 ALA H H 37 9.141 9.141 7.818 1.323 19510 9175 1 18 . 1 1 38 38 ALA N N 38 119.259 119.259 121.912 -2.653 19510 9176 1 18 . 1 1 38 38 ALA HA H 38 3.523 3.523 3.629 -0.106 19510 9177 1 18 . 1 1 38 38 ALA C C 38 178.670 178.670 179.444 -0.774 19510 9178 1 18 . 1 1 38 38 ALA CA C 38 53.882 53.882 55.444 -1.562 19510 9179 1 18 . 1 1 38 38 ALA CB C 38 17.083 17.083 18.171 -1.088 19510 9180 1 18 . 1 1 38 38 ALA H H 38 8.788 8.788 8.502 0.286 19510 9181 1 18 . 1 1 39 39 GLY N N 39 104.011 104.011 106.579 -2.568 19510 9182 1 18 . 1 1 39 39 GLY C C 39 177.232 177.232 176.142 1.090 19510 9183 1 18 . 1 1 39 39 GLY CA C 39 45.519 45.519 46.915 -1.396 19510 9184 1 18 . 1 1 39 39 GLY H H 39 7.756 7.756 8.004 -0.248 19510 9185 1 18 . 1 1 40 40 LEU N N 40 125.340 125.340 121.329 4.011 19510 9186 1 18 . 1 1 40 40 LEU HA H 40 4.111 4.111 3.885 0.226 19510 9187 1 18 . 1 1 40 40 LEU C C 40 178.203 178.203 178.592 -0.389 19510 9188 1 18 . 1 1 40 40 LEU CA C 40 56.123 56.123 57.147 -1.024 19510 9189 1 18 . 1 1 40 40 LEU CB C 40 40.764 40.764 41.332 -0.568 19510 9190 1 18 . 1 1 40 40 LEU H H 40 7.511 7.511 7.193 0.318 19510 9191 1 18 . 1 1 41 41 LEU N N 41 117.234 117.234 115.721 1.513 19510 9192 1 18 . 1 1 41 41 LEU HA H 41 4.139 4.139 3.903 0.236 19510 9193 1 18 . 1 1 41 41 LEU C C 41 176.119 176.119 178.185 -2.066 19510 9194 1 18 . 1 1 41 41 LEU CA C 41 53.213 53.213 56.715 -3.502 19510 9195 1 18 . 1 1 41 41 LEU CB C 41 41.092 41.092 42.425 -1.333 19510 9196 1 18 . 1 1 41 41 LEU H H 41 7.692 7.692 8.059 -0.367 19510 9197 1 18 . 1 1 42 42 GLY N N 42 109.595 109.595 103.816 5.779 19510 9198 1 18 . 1 1 42 42 GLY C C 42 173.775 173.775 173.991 -0.216 19510 9199 1 18 . 1 1 42 42 GLY CA C 42 44.409 44.409 44.367 0.042 19510 9200 1 18 . 1 1 42 42 GLY H H 42 7.896 7.896 7.884 0.012 19510 9201 1 18 . 1 1 43 43 LYS N N 43 119.965 119.965 121.715 -1.750 19510 9202 1 18 . 1 1 43 43 LYS HA H 43 4.737 4.737 4.584 0.153 19510 9203 1 18 . 1 1 43 43 LYS C C 43 175.246 175.246 175.270 -0.024 19510 9204 1 18 . 1 1 43 43 LYS CA C 43 54.189 54.189 55.300 -1.111 19510 9205 1 18 . 1 1 43 43 LYS CB C 43 33.208 33.208 33.818 -0.610 19510 9206 1 18 . 1 1 43 43 LYS H H 43 8.104 8.104 8.150 -0.046 19510 9207 1 18 . 1 1 44 44 THR N N 44 114.199 114.199 112.432 1.767 19510 9208 1 18 . 1 1 44 44 THR HA H 44 4.773 4.773 4.537 0.236 19510 9209 1 18 . 1 1 44 44 THR C C 44 174.392 174.392 175.627 -1.235 19510 9210 1 18 . 1 1 44 44 THR CA C 44 58.348 58.348 60.097 -1.749 19510 9211 1 18 . 1 1 44 44 THR CB C 44 70.921 70.921 71.438 -0.517 19510 9212 1 18 . 1 1 44 44 THR H H 44 8.958 8.958 8.225 0.733 19510 9213 1 18 . 1 1 45 45 GLY N N 45 109.657 109.657 110.983 -1.326 19510 9214 1 18 . 1 1 45 45 GLY C C 45 175.330 175.330 175.020 0.310 19510 9215 1 18 . 1 1 45 45 GLY CA C 45 45.315 45.315 46.474 -1.159 19510 9216 1 18 . 1 1 45 45 GLY H H 45 8.885 8.885 8.636 0.249 19510 9217 1 18 . 1 1 46 46 ASP N N 46 128.403 128.403 123.748 4.655 19510 9218 1 18 . 1 1 46 46 ASP HA H 46 4.561 4.561 4.530 0.031 19510 9219 1 18 . 1 1 46 46 ASP C C 46 177.343 177.343 177.422 -0.079 19510 9220 1 18 . 1 1 46 46 ASP CA C 46 55.829 55.829 55.813 0.016 19510 9221 1 18 . 1 1 46 46 ASP CB C 46 39.039 39.039 40.758 -1.719 19510 9222 1 18 . 1 1 46 46 ASP H H 46 9.318 9.318 8.454 0.864 19510 9223 1 18 . 1 1 47 47 ASP N N 47 121.367 121.367 119.961 1.406 19510 9224 1 18 . 1 1 47 47 ASP HA H 47 4.668 4.668 4.386 0.282 19510 9225 1 18 . 1 1 47 47 ASP CA C 47 55.545 55.545 57.421 -1.876 19510 9226 1 18 . 1 1 47 47 ASP CB C 47 39.415 39.415 41.106 -1.691 19510 9227 1 18 . 1 1 47 47 ASP H H 47 8.521 8.521 8.071 0.450 19510 9228 1 18 . 1 1 48 48 ALA N N 48 123.210 123.210 122.889 0.321 19510 9229 1 18 . 1 1 48 48 ALA HA H 48 3.940 3.940 4.000 -0.060 19510 9230 1 18 . 1 1 48 48 ALA CA C 48 53.331 53.331 55.196 -1.865 19510 9231 1 18 . 1 1 48 48 ALA CB C 48 16.036 16.036 18.569 -2.533 19510 9232 1 18 . 1 1 48 48 ALA H H 48 7.262 7.262 7.571 -0.309 19510 9233 1 18 . 1 1 49 49 ARG N N 49 120.088 120.088 118.937 1.151 19510 9234 1 18 . 1 1 49 49 ARG HA H 49 4.126 4.126 4.056 0.070 19510 9235 1 18 . 1 1 49 49 ARG CA C 49 57.876 57.876 59.204 -1.328 19510 9236 1 18 . 1 1 49 49 ARG CB C 49 28.774 28.774 30.314 -1.540 19510 9237 1 18 . 1 1 49 49 ARG H H 49 7.805 7.805 7.884 -0.079 19510 9238 1 18 . 1 1 50 50 ALA N N 50 121.061 121.061 119.526 1.535 19510 9239 1 18 . 1 1 50 50 ALA HA H 50 4.218 4.218 4.181 0.037 19510 9240 1 18 . 1 1 50 50 ALA CA C 50 53.399 53.399 54.467 -1.068 19510 9241 1 18 . 1 1 50 50 ALA CB C 50 16.672 16.672 19.014 -2.342 19510 9242 1 18 . 1 1 50 50 ALA H H 50 8.387 8.387 8.158 0.229 19510 9243 1 18 . 1 1 51 51 TYR N N 51 119.264 119.264 120.969 -1.705 19510 9244 1 18 . 1 1 51 51 TYR HA H 51 4.231 4.231 4.203 0.028 19510 9245 1 18 . 1 1 51 51 TYR C C 51 178.335 178.335 176.869 1.466 19510 9246 1 18 . 1 1 51 51 TYR CA C 51 60.493 60.493 60.426 0.067 19510 9247 1 18 . 1 1 51 51 TYR CB C 51 37.094 37.094 38.827 -1.733 19510 9248 1 18 . 1 1 51 51 TYR H H 51 8.095 8.095 8.269 -0.174 19510 9249 1 18 . 1 1 52 52 ALA N N 52 124.002 124.002 120.391 3.611 19510 9250 1 18 . 1 1 52 52 ALA HA H 52 3.899 3.899 4.076 -0.177 19510 9251 1 18 . 1 1 52 52 ALA C C 52 178.352 178.352 177.418 0.934 19510 9252 1 18 . 1 1 52 52 ALA CA C 52 54.394 54.394 53.285 1.109 19510 9253 1 18 . 1 1 52 52 ALA CB C 52 16.369 16.369 17.816 -1.447 19510 9254 1 18 . 1 1 52 52 ALA H H 52 8.651 8.651 8.313 0.338 19510 9255 1 18 . 1 1 53 53 LEU N N 53 116.593 116.593 115.727 0.866 19510 9256 1 18 . 1 1 53 53 LEU HA H 53 4.301 4.301 4.243 0.058 19510 9257 1 18 . 1 1 53 53 LEU C C 53 177.452 177.452 178.314 -0.862 19510 9258 1 18 . 1 1 53 53 LEU CA C 53 55.412 55.412 56.437 -1.025 19510 9259 1 18 . 1 1 53 53 LEU CB C 53 40.510 40.510 42.080 -1.570 19510 9260 1 18 . 1 1 53 53 LEU H H 53 7.664 7.664 7.387 0.277 19510 9261 1 18 . 1 1 54 54 THR N N 54 110.998 110.998 112.935 -1.937 19510 9262 1 18 . 1 1 54 54 THR HA H 54 4.401 4.401 4.394 0.007 19510 9263 1 18 . 1 1 54 54 THR CA C 54 61.997 61.997 61.825 0.172 19510 9264 1 18 . 1 1 54 54 THR CB C 54 67.988 67.988 69.685 -1.697 19510 9265 1 18 . 1 1 54 54 THR H H 54 7.962 7.962 7.762 0.200 19510 9266 1 18 . 1 1 55 55 VAL N N 55 123.907 123.907 121.853 2.054 19510 9267 1 18 . 1 1 55 55 VAL HA H 55 3.869 3.869 3.880 -0.011 19510 9268 1 18 . 1 1 55 55 VAL CA C 55 62.373 62.373 63.708 -1.335 19510 9269 1 18 . 1 1 55 55 VAL CB C 55 29.037 29.037 32.378 -3.341 19510 9270 1 18 . 1 1 55 55 VAL H H 55 7.217 7.217 7.631 -0.414 19510 9271 1 18 . 1 1 56 56 VAL N N 56 119.176 119.176 114.108 5.068 19510 9272 1 18 . 1 1 56 56 VAL HA H 56 4.300 4.300 4.124 0.176 19510 9273 1 18 . 1 1 56 56 VAL CA C 56 55.363 55.363 62.571 -7.208 19510 9274 1 18 . 1 1 56 56 VAL CB C 56 32.466 32.466 31.261 1.205 19510 9275 1 18 . 1 1 56 56 VAL H H 56 7.474 7.474 7.470 0.004 19510 9276 1 18 . 1 1 57 57 THR N N 57 114.951 114.951 120.635 -5.684 19510 9277 1 18 . 1 1 57 57 THR HA H 57 4.509 4.509 4.542 -0.033 19510 9278 1 18 . 1 1 57 57 THR CA C 57 60.698 60.698 61.169 -0.471 19510 9279 1 18 . 1 1 57 57 THR CB C 57 68.177 68.177 69.767 -1.590 19510 9280 1 18 . 1 1 57 57 THR H H 57 7.992 7.992 8.392 -0.400 19510 9281 1 18 . 1 1 58 58 SER N N 58 119.820 119.820 115.239 4.581 19510 9282 1 18 . 1 1 58 58 SER HA H 58 4.554 4.554 4.755 -0.201 19510 9283 1 18 . 1 1 58 58 SER CA C 58 57.409 57.409 57.778 -0.369 19510 9284 1 18 . 1 1 58 58 SER CB C 58 62.399 62.399 65.413 -3.014 19510 9285 1 18 . 1 1 58 58 SER H H 58 8.473 8.473 8.238 0.235 19510 9286 1 18 . 1 1 59 59 ASP N N 59 122.199 122.199 120.325 1.874 19510 9287 1 18 . 1 1 59 59 ASP HA H 59 4.762 4.762 4.858 -0.096 19510 9288 1 18 . 1 1 59 59 ASP C C 59 175.459 175.459 175.107 0.352 19510 9289 1 18 . 1 1 59 59 ASP CA C 59 52.469 52.469 53.257 -0.788 19510 9290 1 18 . 1 1 59 59 ASP CB C 59 39.455 39.455 41.196 -1.741 19510 9291 1 18 . 1 1 59 59 ASP H H 59 8.285 8.285 8.476 -0.191 19510 9292 1 18 . 1 1 60 60 PHE HA H 60 4.182 4.182 4.721 -0.539 19510 9293 1 18 . 1 1 60 60 PHE CA C 60 59.253 59.253 57.279 1.974 19510 9294 1 18 . 1 1 60 60 PHE CB C 60 35.163 35.163 42.469 -7.306 19510 9295 1 18 . 1 1 63 63 PRO HA H 63 4.606 4.606 4.962 -0.356 19510 9296 1 18 . 1 1 63 63 PRO CA C 63 55.716 55.716 62.818 -7.102 19510 9297 1 18 . 1 1 63 63 PRO CB C 63 30.732 30.732 30.619 0.113 19510 9298 1 18 . 1 1 64 64 GLY N N 64 110.382 110.382 110.427 -0.045 19510 9299 1 18 . 1 1 64 64 GLY CA C 64 44.280 44.280 45.856 -1.576 19510 9300 1 18 . 1 1 64 64 GLY H H 64 8.706 8.706 8.464 0.242 19510 9301 1 18 . 1 1 65 65 ASP N N 65 121.977 121.977 122.165 -0.188 19510 9302 1 18 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.615 0.048 19510 9303 1 18 . 1 1 65 65 ASP CA C 65 55.765 55.765 54.368 1.397 19510 9304 1 18 . 1 1 65 65 ASP CB C 65 39.579 39.579 40.651 -1.073 19510 9305 1 18 . 1 1 65 65 ASP H H 65 8.661 8.661 8.393 0.268 19510 9306 1 18 . 1 1 66 66 GLU N N 66 120.065 120.065 120.661 -0.596 19510 9307 1 18 . 1 1 66 66 GLU HA H 66 4.437 4.437 4.074 0.363 19510 9308 1 18 . 1 1 66 66 GLU CA C 66 57.520 57.520 57.602 -0.083 19510 9309 1 18 . 1 1 66 66 GLU CB C 66 27.598 27.598 28.334 -0.736 19510 9310 1 18 . 1 1 66 66 GLU H H 66 8.643 8.643 8.414 0.229 19510 9311 1 18 . 1 1 67 67 ASP N N 67 120.033 120.033 121.206 -1.173 19510 9312 1 18 . 1 1 67 67 ASP HA H 67 4.609 4.609 4.885 -0.276 19510 9313 1 18 . 1 1 67 67 ASP CA C 67 55.601 55.601 54.543 1.058 19510 9314 1 18 . 1 1 67 67 ASP CB C 67 39.106 39.106 42.943 -3.837 19510 9315 1 18 . 1 1 67 67 ASP H H 67 8.272 8.272 8.565 -0.293 19510 9316 1 18 . 1 1 68 68 VAL N N 68 123.206 123.206 120.321 2.885 19510 9317 1 18 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.961 -0.144 19510 9318 1 18 . 1 1 68 68 VAL CA C 68 65.715 65.715 64.424 1.291 19510 9319 1 18 . 1 1 68 68 VAL CB C 68 30.705 30.705 32.349 -1.644 19510 9320 1 18 . 1 1 68 68 VAL H H 68 8.045 8.045 7.663 0.382 19510 9321 1 18 . 1 1 69 69 PHE N N 69 120.600 120.600 120.490 0.110 19510 9322 1 18 . 1 1 69 69 PHE HA H 69 4.158 4.158 4.152 0.006 19510 9323 1 18 . 1 1 69 69 PHE CA C 69 61.013 61.013 60.401 0.612 19510 9324 1 18 . 1 1 69 69 PHE CB C 69 37.455 37.455 38.001 -0.546 19510 9325 1 18 . 1 1 69 69 PHE H H 69 8.488 8.488 8.297 0.191 19510 9326 1 18 . 1 1 70 70 ARG N N 70 117.820 117.820 118.394 -0.574 19510 9327 1 18 . 1 1 70 70 ARG HA H 70 3.755 3.755 4.063 -0.308 19510 9328 1 18 . 1 1 70 70 ARG C C 70 178.813 178.813 177.138 1.675 19510 9329 1 18 . 1 1 70 70 ARG CA C 70 58.184 58.184 58.626 -0.442 19510 9330 1 18 . 1 1 70 70 ARG CB C 70 28.899 28.899 29.827 -0.928 19510 9331 1 18 . 1 1 70 70 ARG H H 70 8.611 8.611 8.662 -0.051 19510 9332 1 18 . 1 1 71 71 LYS N N 71 121.726 121.726 116.553 5.173 19510 9333 1 18 . 1 1 71 71 LYS HA H 71 4.253 4.253 4.391 -0.138 19510 9334 1 18 . 1 1 71 71 LYS C C 71 177.020 177.020 177.843 -0.823 19510 9335 1 18 . 1 1 71 71 LYS CA C 71 58.490 58.490 55.910 2.580 19510 9336 1 18 . 1 1 71 71 LYS CB C 71 31.216 31.216 32.866 -1.650 19510 9337 1 18 . 1 1 71 71 LYS H H 71 7.686 7.686 7.471 0.215 19510 9338 1 18 . 1 1 72 72 LEU N N 72 119.355 119.355 123.009 -3.654 19510 9339 1 18 . 1 1 72 72 LEU HA H 72 4.051 4.051 3.891 0.160 19510 9340 1 18 . 1 1 72 72 LEU C C 72 177.378 177.378 178.361 -0.983 19510 9341 1 18 . 1 1 72 72 LEU CA C 72 56.317 56.317 58.329 -2.012 19510 9342 1 18 . 1 1 72 72 LEU CB C 72 41.148 41.148 41.914 -0.766 19510 9343 1 18 . 1 1 72 72 LEU H H 72 8.215 8.215 7.575 0.640 19510 9344 1 18 . 1 1 73 73 ALA N N 73 121.106 121.106 119.392 1.714 19510 9345 1 18 . 1 1 73 73 ALA HA H 73 3.767 3.767 3.647 0.120 19510 9346 1 18 . 1 1 73 73 ALA C C 73 179.644 179.644 178.355 1.289 19510 9347 1 18 . 1 1 73 73 ALA CA C 73 53.263 53.263 54.749 -1.486 19510 9348 1 18 . 1 1 73 73 ALA CB C 73 15.930 15.930 17.693 -1.763 19510 9349 1 18 . 1 1 73 73 ALA H H 73 9.143 9.143 8.041 1.102 19510 9350 1 18 . 1 1 74 74 ALA N N 74 119.383 119.383 119.878 -0.495 19510 9351 1 18 . 1 1 74 74 ALA HA H 74 4.384 4.384 4.082 0.302 19510 9352 1 18 . 1 1 74 74 ALA C C 74 179.752 179.752 180.145 -0.393 19510 9353 1 18 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.356 -0.832 19510 9354 1 18 . 1 1 74 74 ALA CB C 74 17.094 17.094 18.374 -1.280 19510 9355 1 18 . 1 1 74 74 ALA H H 74 7.403 7.403 7.375 0.028 19510 9356 1 18 . 1 1 75 75 ASP N N 75 120.226 120.226 119.862 0.364 19510 9357 1 18 . 1 1 75 75 ASP HA H 75 4.523 4.523 4.398 0.125 19510 9358 1 18 . 1 1 75 75 ASP C C 75 177.704 177.704 176.917 0.787 19510 9359 1 18 . 1 1 75 75 ASP CA C 75 55.312 55.312 57.031 -1.719 19510 9360 1 18 . 1 1 75 75 ASP CB C 75 38.326 38.326 41.162 -2.836 19510 9361 1 18 . 1 1 75 75 ASP H H 75 8.536 8.536 8.367 0.169 19510 9362 1 18 . 1 1 76 76 LEU N N 76 115.468 115.468 117.383 -1.915 19510 9363 1 18 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.391 0.001 19510 9364 1 18 . 1 1 76 76 LEU C C 76 174.790 174.790 175.324 -0.534 19510 9365 1 18 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.081 -0.457 19510 9366 1 18 . 1 1 76 76 LEU CB C 76 39.594 39.594 42.225 -2.631 19510 9367 1 18 . 1 1 76 76 LEU H H 76 8.612 8.612 7.951 0.661 19510 9368 1 18 . 1 1 77 77 GLU N N 77 124.725 124.725 121.139 3.586 19510 9369 1 18 . 1 1 77 77 GLU HA H 77 4.343 4.343 4.111 0.232 19510 9370 1 18 . 1 1 77 77 GLU C C 77 176.953 176.953 177.396 -0.443 19510 9371 1 18 . 1 1 77 77 GLU CA C 77 57.345 57.345 57.878 -0.533 19510 9372 1 18 . 1 1 77 77 GLU CB C 77 27.555 27.555 29.489 -1.935 19510 9373 1 18 . 1 1 77 77 GLU H H 77 7.158 7.158 7.196 -0.038 19510 9374 1 18 . 1 1 78 78 GLY N N 78 118.105 118.105 114.408 3.697 19510 9375 1 18 . 1 1 78 78 GLY C C 78 173.075 173.075 174.842 -1.767 19510 9376 1 18 . 1 1 78 78 GLY CA C 78 44.269 44.269 45.792 -1.523 19510 9377 1 18 . 1 1 78 78 GLY H H 78 9.392 9.392 9.011 0.381 19510 9378 1 18 . 1 1 79 79 LYS N N 79 120.237 120.237 119.326 0.911 19510 9379 1 18 . 1 1 79 79 LYS HA H 79 4.663 4.663 4.511 0.152 19510 9380 1 18 . 1 1 79 79 LYS C C 79 175.050 175.050 174.736 0.314 19510 9381 1 18 . 1 1 79 79 LYS CA C 79 54.683 54.683 55.475 -0.792 19510 9382 1 18 . 1 1 79 79 LYS CB C 79 33.435 33.435 33.412 0.023 19510 9383 1 18 . 1 1 79 79 LYS H H 79 8.809 8.809 8.175 0.634 19510 9384 1 18 . 1 1 80 80 ALA N N 80 121.135 121.135 121.067 0.068 19510 9385 1 18 . 1 1 80 80 ALA HA H 80 4.893 4.893 4.689 0.204 19510 9386 1 18 . 1 1 80 80 ALA C C 80 174.051 174.051 174.619 -0.568 19510 9387 1 18 . 1 1 80 80 ALA CA C 80 50.289 50.289 51.236 -0.947 19510 9388 1 18 . 1 1 80 80 ALA CB C 80 20.483 20.483 21.313 -0.830 19510 9389 1 18 . 1 1 80 80 ALA H H 80 8.169 8.169 7.568 0.601 19510 9390 1 18 . 1 1 81 81 ASP N N 81 121.569 121.569 119.045 2.524 19510 9391 1 18 . 1 1 81 81 ASP HA H 81 4.898 4.898 5.010 -0.112 19510 9392 1 18 . 1 1 81 81 ASP CA C 81 50.397 50.397 52.769 -2.372 19510 9393 1 18 . 1 1 81 81 ASP CB C 81 40.401 40.401 43.044 -2.643 19510 9394 1 18 . 1 1 81 81 ASP H H 81 8.330 8.330 8.360 -0.030 19510 9395 1 18 . 1 1 82 82 GLU N N 82 119.843 119.843 121.705 -1.862 19510 9396 1 18 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.301 -0.116 19510 9397 1 18 . 1 1 82 82 GLU C C 82 177.350 177.350 178.907 -1.557 19510 9398 1 18 . 1 1 82 82 GLU CA C 82 59.676 59.676 60.474 -0.798 19510 9399 1 18 . 1 1 82 82 GLU CB C 82 27.893 27.893 30.006 -2.113 19510 9400 1 18 . 1 1 82 82 GLU H H 82 8.923 8.923 8.765 0.158 19510 9401 1 18 . 1 1 83 83 GLU N N 83 119.348 119.348 116.306 3.042 19510 9402 1 18 . 1 1 83 83 GLU HA H 83 4.177 4.177 4.236 -0.059 19510 9403 1 18 . 1 1 83 83 GLU C C 83 178.794 178.794 178.734 0.060 19510 9404 1 18 . 1 1 83 83 GLU CA C 83 59.082 59.082 59.170 -0.088 19510 9405 1 18 . 1 1 83 83 GLU CB C 83 28.879 28.879 29.236 -0.357 19510 9406 1 18 . 1 1 83 83 GLU H H 83 8.832 8.832 8.887 -0.055 19510 9407 1 18 . 1 1 84 84 THR N N 84 119.892 119.892 115.340 4.552 19510 9408 1 18 . 1 1 84 84 THR HA H 84 4.140 4.140 4.241 -0.101 19510 9409 1 18 . 1 1 84 84 THR C C 84 176.165 176.165 176.796 -0.631 19510 9410 1 18 . 1 1 84 84 THR CA C 84 65.721 65.721 65.763 -0.042 19510 9411 1 18 . 1 1 84 84 THR CB C 84 66.751 66.751 69.080 -2.329 19510 9412 1 18 . 1 1 84 84 THR H H 84 8.576 8.576 7.433 1.143 19510 9413 1 18 . 1 1 85 85 ILE N N 85 123.655 123.655 123.837 -0.182 19510 9414 1 18 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.818 0.001 19510 9415 1 18 . 1 1 85 85 ILE C C 85 174.809 174.809 177.419 -2.610 19510 9416 1 18 . 1 1 85 85 ILE CA C 85 64.891 64.891 65.651 -0.760 19510 9417 1 18 . 1 1 85 85 ILE CB C 85 37.797 37.797 38.136 -0.339 19510 9418 1 18 . 1 1 85 85 ILE H H 85 8.572 8.572 8.781 -0.209 19510 9419 1 18 . 1 1 86 86 ARG N N 86 119.670 119.670 118.187 1.483 19510 9420 1 18 . 1 1 86 86 ARG HA H 86 4.186 4.186 4.218 -0.032 19510 9421 1 18 . 1 1 86 86 ARG CA C 86 58.766 58.766 58.084 0.682 19510 9422 1 18 . 1 1 86 86 ARG CB C 86 28.165 28.165 29.891 -1.726 19510 9423 1 18 . 1 1 86 86 ARG H H 86 9.092 9.092 8.054 1.038 19510 9424 1 18 . 1 1 87 87 ALA N N 87 121.431 121.431 120.237 1.194 19510 9425 1 18 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.571 -0.264 19510 9426 1 18 . 1 1 87 87 ALA CA C 87 53.558 53.558 51.344 2.214 19510 9427 1 18 . 1 1 87 87 ALA CB C 87 16.382 16.382 18.944 -2.562 19510 9428 1 18 . 1 1 87 87 ALA H H 87 8.242 8.242 7.533 0.709 19510 9429 1 18 . 1 1 88 88 LYS N N 88 122.742 122.742 119.558 3.184 19510 9430 1 18 . 1 1 88 88 LYS HA H 88 4.011 4.011 4.339 -0.328 19510 9431 1 18 . 1 1 88 88 LYS CA C 88 55.172 55.172 57.459 -2.287 19510 9432 1 18 . 1 1 88 88 LYS CB C 88 29.078 29.078 33.528 -4.450 19510 9433 1 18 . 1 1 88 88 LYS H H 88 8.182 8.182 8.016 0.166 19510 9434 1 18 . 1 1 89 89 MET N N 89 118.686 118.686 117.903 0.783 19510 9435 1 18 . 1 1 89 89 MET HA H 89 3.854 3.854 4.148 -0.294 19510 9436 1 18 . 1 1 89 89 MET CA C 89 59.175 59.175 58.437 0.738 19510 9437 1 18 . 1 1 89 89 MET CB C 89 31.697 31.697 32.750 -1.053 19510 9438 1 18 . 1 1 89 89 MET H H 89 8.504 8.504 7.687 0.817 19510 9439 1 18 . 1 1 90 90 VAL N N 90 120.987 120.987 116.241 4.746 19510 9440 1 18 . 1 1 90 90 VAL HA H 90 3.853 3.853 3.587 0.266 19510 9441 1 18 . 1 1 90 90 VAL C C 90 178.017 178.017 178.383 -0.366 19510 9442 1 18 . 1 1 90 90 VAL CA C 90 64.868 64.868 65.334 -0.466 19510 9443 1 18 . 1 1 90 90 VAL CB C 90 31.054 31.054 31.421 -0.367 19510 9444 1 18 . 1 1 90 90 VAL H H 90 7.573 7.573 8.000 -0.427 19510 9445 1 18 . 1 1 91 91 GLU N N 91 124.236 124.236 121.028 3.208 19510 9446 1 18 . 1 1 91 91 GLU HA H 91 3.802 3.802 4.039 -0.237 19510 9447 1 18 . 1 1 91 91 GLU C C 91 177.612 177.612 178.209 -0.597 19510 9448 1 18 . 1 1 91 91 GLU CA C 91 58.414 58.414 59.391 -0.977 19510 9449 1 18 . 1 1 91 91 GLU CB C 91 30.606 30.606 29.541 1.065 19510 9450 1 18 . 1 1 91 91 GLU H H 91 8.494 8.494 8.124 0.370 19510 9451 1 18 . 1 1 92 92 LEU N N 92 114.818 114.818 114.037 0.781 19510 9452 1 18 . 1 1 92 92 LEU HA H 92 4.336 4.336 4.587 -0.251 19510 9453 1 18 . 1 1 92 92 LEU C C 92 177.928 177.928 177.291 0.637 19510 9454 1 18 . 1 1 92 92 LEU CA C 92 56.351 56.351 54.736 1.615 19510 9455 1 18 . 1 1 92 92 LEU CB C 92 39.780 39.780 40.473 -0.693 19510 9456 1 18 . 1 1 92 92 LEU H H 92 8.833 8.833 7.426 1.407 19510 9457 1 18 . 1 1 93 93 ARG N N 93 123.398 123.398 121.712 1.686 19510 9458 1 18 . 1 1 93 93 ARG HA H 93 3.997 3.997 3.812 0.185 19510 9459 1 18 . 1 1 93 93 ARG C C 93 176.350 176.350 177.686 -1.336 19510 9460 1 18 . 1 1 93 93 ARG CA C 93 58.848 58.848 59.826 -0.978 19510 9461 1 18 . 1 1 93 93 ARG CB C 93 28.592 28.592 30.033 -1.441 19510 9462 1 18 . 1 1 93 93 ARG H H 93 7.746 7.746 7.588 0.158 19510 9463 1 18 . 1 1 94 94 ALA N N 94 122.480 122.480 120.061 2.419 19510 9464 1 18 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.083 0.178 19510 9465 1 18 . 1 1 94 94 ALA C C 94 179.805 179.805 179.567 0.238 19510 9466 1 18 . 1 1 94 94 ALA CA C 94 54.529 54.529 55.147 -0.618 19510 9467 1 18 . 1 1 94 94 ALA CB C 94 16.423 16.423 17.793 -1.370 19510 9468 1 18 . 1 1 94 94 ALA H H 94 7.322 7.322 7.943 -0.621 19510 9469 1 18 . 1 1 95 95 THR N N 95 116.936 116.936 115.812 1.124 19510 9470 1 18 . 1 1 95 95 THR HA H 95 4.045 4.045 3.848 0.197 19510 9471 1 18 . 1 1 95 95 THR C C 95 175.007 175.007 176.641 -1.634 19510 9472 1 18 . 1 1 95 95 THR CA C 95 64.868 64.868 66.600 -1.732 19510 9473 1 18 . 1 1 95 95 THR CB C 95 67.633 67.633 68.409 -0.776 19510 9474 1 18 . 1 1 95 95 THR H H 95 8.275 8.275 8.006 0.269 19510 9475 1 18 . 1 1 96 96 ALA N N 96 123.969 123.969 121.994 1.975 19510 9476 1 18 . 1 1 96 96 ALA HA H 96 3.904 3.904 4.035 -0.131 19510 9477 1 18 . 1 1 96 96 ALA C C 96 178.184 178.184 178.702 -0.518 19510 9478 1 18 . 1 1 96 96 ALA CA C 96 54.098 54.098 54.674 -0.576 19510 9479 1 18 . 1 1 96 96 ALA CB C 96 18.118 18.118 18.523 -0.405 19510 9480 1 18 . 1 1 96 96 ALA H H 96 8.688 8.688 8.561 0.127 19510 9481 1 18 . 1 1 97 97 ARG N N 97 117.393 117.393 118.853 -1.460 19510 9482 1 18 . 1 1 97 97 ARG HA H 97 3.857 3.857 4.152 -0.295 19510 9483 1 18 . 1 1 97 97 ARG C C 97 176.770 176.770 178.533 -1.763 19510 9484 1 18 . 1 1 97 97 ARG CA C 97 58.669 58.669 58.210 0.459 19510 9485 1 18 . 1 1 97 97 ARG CB C 97 28.932 28.932 29.820 -0.888 19510 9486 1 18 . 1 1 97 97 ARG H H 97 8.073 8.073 7.602 0.471 19510 9487 1 18 . 1 1 98 98 GLU N N 98 118.029 118.029 119.661 -1.632 19510 9488 1 18 . 1 1 98 98 GLU HA H 98 4.180 4.180 3.889 0.291 19510 9489 1 18 . 1 1 98 98 GLU C C 98 178.865 178.865 179.281 -0.416 19510 9490 1 18 . 1 1 98 98 GLU CA C 98 57.867 57.867 59.727 -1.861 19510 9491 1 18 . 1 1 98 98 GLU CB C 98 27.704 27.704 29.272 -1.568 19510 9492 1 18 . 1 1 98 98 GLU H H 98 7.896 7.896 8.420 -0.524 19510 9493 1 18 . 1 1 99 99 GLN N N 99 119.735 119.735 117.647 2.088 19510 9494 1 18 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.025 0.160 19510 9495 1 18 . 1 1 99 99 GLN C C 99 178.146 178.146 179.046 -0.900 19510 9496 1 18 . 1 1 99 99 GLN CA C 99 57.748 57.748 58.430 -0.682 19510 9497 1 18 . 1 1 99 99 GLN CB C 99 27.529 27.529 28.571 -1.042 19510 9498 1 18 . 1 1 99 99 GLN H H 99 8.320 8.320 8.339 -0.019 19510 9499 1 18 . 1 1 100 100 ILE N N 100 119.676 119.676 119.987 -0.311 19510 9500 1 18 . 1 1 100 100 ILE HA H 100 3.993 3.993 3.787 0.206 19510 9501 1 18 . 1 1 100 100 ILE C C 100 178.315 178.315 178.465 -0.150 19510 9502 1 18 . 1 1 100 100 ILE CA C 100 60.935 60.935 63.919 -2.984 19510 9503 1 18 . 1 1 100 100 ILE CB C 100 34.935 34.935 36.839 -1.904 19510 9504 1 18 . 1 1 100 100 ILE H H 100 8.398 8.398 7.904 0.494 19510 9505 1 18 . 1 1 101 101 ILE N N 101 120.600 120.600 116.724 3.876 19510 9506 1 18 . 1 1 101 101 ILE HA H 101 4.027 4.027 3.604 0.423 19510 9507 1 18 . 1 1 101 101 ILE C C 101 177.006 177.006 177.054 -0.048 19510 9508 1 18 . 1 1 101 101 ILE CA C 101 62.382 62.382 63.987 -1.605 19510 9509 1 18 . 1 1 101 101 ILE CB C 101 36.195 36.195 37.405 -1.210 19510 9510 1 18 . 1 1 101 101 ILE H H 101 8.350 8.350 7.548 0.802 19510 9511 1 18 . 1 1 102 102 SER N N 102 116.172 116.172 113.462 2.710 19510 9512 1 18 . 1 1 102 102 SER HA H 102 4.589 4.589 4.522 0.067 19510 9513 1 18 . 1 1 102 102 SER C C 102 173.845 173.845 174.358 -0.513 19510 9514 1 18 . 1 1 102 102 SER CA C 102 58.735 58.735 59.592 -0.857 19510 9515 1 18 . 1 1 102 102 SER CB C 102 62.254 62.254 63.499 -1.245 19510 9516 1 18 . 1 1 102 102 SER H H 102 7.896 7.896 7.598 0.298 19510 9517 1 18 . 1 1 103 103 GLU N N 103 122.642 122.642 120.120 2.522 19510 9518 1 18 . 1 1 103 103 GLU HA H 103 4.473 4.473 4.439 0.034 19510 9519 1 18 . 1 1 103 103 GLU C C 103 175.095 175.095 175.916 -0.821 19510 9520 1 18 . 1 1 103 103 GLU CA C 103 55.006 55.006 55.709 -0.703 19510 9521 1 18 . 1 1 103 103 GLU CB C 103 28.770 28.770 30.915 -2.145 19510 9522 1 18 . 1 1 103 103 GLU H H 103 7.780 7.780 7.693 0.087 19510 9523 1 19 . 1 1 4 4 PHE N N 4 122.548 122.548 121.673 0.875 19510 9524 1 19 . 1 1 4 4 PHE HA H 4 4.680 4.680 4.356 0.324 19510 9525 1 19 . 1 1 4 4 PHE CA C 4 57.087 57.087 59.838 -2.751 19510 9526 1 19 . 1 1 4 4 PHE CB C 4 38.126 38.126 38.732 -0.606 19510 9527 1 19 . 1 1 4 4 PHE H H 4 8.328 8.328 7.550 0.778 19510 9528 1 19 . 1 1 7 7 ARG N N 7 121.962 121.962 123.354 -1.392 19510 9529 1 19 . 1 1 7 7 ARG HA H 7 4.265 4.265 4.684 -0.419 19510 9530 1 19 . 1 1 7 7 ARG C C 7 176.683 176.683 175.840 0.843 19510 9531 1 19 . 1 1 7 7 ARG CA C 7 56.502 56.502 54.978 1.524 19510 9532 1 19 . 1 1 7 7 ARG CB C 7 28.840 28.840 31.778 -2.938 19510 9533 1 19 . 1 1 7 7 ARG H H 7 8.339 8.339 8.293 0.046 19510 9534 1 19 . 1 1 8 8 GLU N N 8 121.095 121.095 122.628 -1.533 19510 9535 1 19 . 1 1 8 8 GLU HA H 8 4.233 4.233 4.455 -0.222 19510 9536 1 19 . 1 1 8 8 GLU C C 8 176.964 176.964 176.768 0.196 19510 9537 1 19 . 1 1 8 8 GLU CA C 8 57.517 57.517 56.552 0.965 19510 9538 1 19 . 1 1 8 8 GLU CB C 8 27.744 27.744 30.475 -2.731 19510 9539 1 19 . 1 1 8 8 GLU H H 8 8.384 8.384 8.745 -0.361 19510 9540 1 19 . 1 1 9 9 ARG N N 9 121.320 121.320 119.440 1.880 19510 9541 1 19 . 1 1 9 9 ARG HA H 9 4.310 4.310 4.297 0.013 19510 9542 1 19 . 1 1 9 9 ARG C C 9 176.563 176.563 175.763 0.800 19510 9543 1 19 . 1 1 9 9 ARG CA C 9 56.233 56.233 55.292 0.941 19510 9544 1 19 . 1 1 9 9 ARG CB C 9 28.977 28.977 30.530 -1.553 19510 9545 1 19 . 1 1 9 9 ARG H H 9 8.291 8.291 7.701 0.590 19510 9546 1 19 . 1 1 10 10 ALA N N 10 123.900 123.900 118.436 5.464 19510 9547 1 19 . 1 1 10 10 ALA HA H 10 4.333 4.333 4.323 0.010 19510 9548 1 19 . 1 1 10 10 ALA C C 10 178.129 178.129 177.624 0.505 19510 9549 1 19 . 1 1 10 10 ALA CA C 10 52.348 52.348 53.087 -0.738 19510 9550 1 19 . 1 1 10 10 ALA CB C 10 17.396 17.396 17.162 0.234 19510 9551 1 19 . 1 1 10 10 ALA H H 10 8.225 8.225 8.515 -0.290 19510 9552 1 19 . 1 1 11 11 HIS N N 11 117.829 117.829 114.603 3.226 19510 9553 1 19 . 1 1 11 11 HIS HA H 11 4.740 4.740 4.386 0.354 19510 9554 1 19 . 1 1 11 11 HIS C C 11 175.013 175.013 174.973 0.040 19510 9555 1 19 . 1 1 11 11 HIS CA C 11 55.041 55.041 56.226 -1.185 19510 9556 1 19 . 1 1 11 11 HIS CB C 11 27.391 27.391 29.723 -2.332 19510 9557 1 19 . 1 1 11 11 HIS H H 11 8.500 8.500 8.615 -0.115 19510 9558 1 19 . 1 1 12 12 GLU N N 12 121.398 121.398 119.478 1.920 19510 9559 1 19 . 1 1 12 12 GLU HA H 12 4.326 4.326 3.944 0.382 19510 9560 1 19 . 1 1 12 12 GLU C C 12 176.808 176.808 176.035 0.773 19510 9561 1 19 . 1 1 12 12 GLU CA C 12 56.517 56.517 56.967 -0.450 19510 9562 1 19 . 1 1 12 12 GLU CB C 12 28.289 28.289 28.220 0.069 19510 9563 1 19 . 1 1 12 12 GLU H H 12 8.456 8.456 8.226 0.230 19510 9564 1 19 . 1 1 13 13 ALA N N 13 124.231 124.231 127.158 -2.927 19510 9565 1 19 . 1 1 13 13 ALA HA H 13 4.309 4.309 3.843 0.466 19510 9566 1 19 . 1 1 13 13 ALA C C 13 178.197 178.197 178.839 -0.642 19510 9567 1 19 . 1 1 13 13 ALA CA C 13 53.511 53.511 53.996 -0.485 19510 9568 1 19 . 1 1 13 13 ALA CB C 13 17.174 17.174 17.527 -0.353 19510 9569 1 19 . 1 1 13 13 ALA H H 13 8.444 8.444 8.645 -0.201 19510 9570 1 19 . 1 1 14 14 LYS N N 14 120.159 120.159 118.277 1.882 19510 9571 1 19 . 1 1 14 14 LYS HA H 14 4.257 4.257 4.019 0.238 19510 9572 1 19 . 1 1 14 14 LYS C C 14 176.757 176.757 178.352 -1.595 19510 9573 1 19 . 1 1 14 14 LYS CA C 14 56.461 56.461 58.796 -2.335 19510 9574 1 19 . 1 1 14 14 LYS CB C 14 31.191 31.191 32.330 -1.139 19510 9575 1 19 . 1 1 14 14 LYS H H 14 8.136 8.136 8.121 0.015 19510 9576 1 19 . 1 1 15 15 PHE N N 15 118.588 118.588 118.873 -0.285 19510 9577 1 19 . 1 1 15 15 PHE HA H 15 4.527 4.527 4.256 0.271 19510 9578 1 19 . 1 1 15 15 PHE C C 15 175.635 175.635 176.742 -1.107 19510 9579 1 19 . 1 1 15 15 PHE CA C 15 57.992 57.992 61.510 -3.518 19510 9580 1 19 . 1 1 15 15 PHE CB C 15 37.908 37.908 39.083 -1.175 19510 9581 1 19 . 1 1 15 15 PHE H H 15 7.998 7.998 7.754 0.244 19510 9582 1 19 . 1 1 16 16 ALA N N 16 122.847 122.847 117.432 5.415 19510 9583 1 19 . 1 1 16 16 ALA HA H 16 4.317 4.317 4.419 -0.102 19510 9584 1 19 . 1 1 16 16 ALA C C 16 177.641 177.641 177.644 -0.003 19510 9585 1 19 . 1 1 16 16 ALA CA C 16 52.317 52.317 52.866 -0.549 19510 9586 1 19 . 1 1 16 16 ALA CB C 16 17.378 17.378 18.847 -1.469 19510 9587 1 19 . 1 1 16 16 ALA H H 16 8.172 8.172 7.663 0.509 19510 9588 1 19 . 1 1 17 17 HIS N N 17 115.904 115.904 116.790 -0.886 19510 9589 1 19 . 1 1 17 17 HIS HA H 17 4.839 4.839 4.701 0.138 19510 9590 1 19 . 1 1 17 17 HIS CA C 17 54.594 54.594 56.495 -1.901 19510 9591 1 19 . 1 1 17 17 HIS CB C 17 27.532 27.532 33.326 -5.794 19510 9592 1 19 . 1 1 17 17 HIS H H 17 8.218 8.218 8.251 -0.033 19510 9593 1 19 . 1 1 18 18 ASP N N 18 121.432 121.432 121.559 -0.127 19510 9594 1 19 . 1 1 18 18 ASP HA H 18 4.758 4.758 4.767 -0.009 19510 9595 1 19 . 1 1 18 18 ASP CA C 18 53.004 53.004 54.466 -1.462 19510 9596 1 19 . 1 1 18 18 ASP CB C 18 39.571 39.571 41.430 -1.859 19510 9597 1 19 . 1 1 18 18 ASP H H 18 8.103 8.103 8.373 -0.270 19510 9598 1 19 . 1 1 19 19 ALA N N 19 126.628 126.628 128.729 -2.101 19510 9599 1 19 . 1 1 19 19 ALA HA H 19 4.303 4.303 3.969 0.334 19510 9600 1 19 . 1 1 19 19 ALA CA C 19 53.177 53.177 55.118 -1.941 19510 9601 1 19 . 1 1 19 19 ALA CB C 19 17.231 17.231 19.350 -2.119 19510 9602 1 19 . 1 1 19 19 ALA H H 19 8.588 8.588 8.563 0.025 19510 9603 1 19 . 1 1 20 20 GLU N N 20 119.826 119.826 118.857 0.969 19510 9604 1 19 . 1 1 20 20 GLU HA H 20 4.314 4.314 4.052 0.262 19510 9605 1 19 . 1 1 20 20 GLU CA C 20 57.403 57.403 59.432 -2.029 19510 9606 1 19 . 1 1 20 20 GLU CB C 20 27.780 27.780 28.741 -0.961 19510 9607 1 19 . 1 1 20 20 GLU H H 20 8.391 8.391 8.684 -0.293 19510 9608 1 19 . 1 1 21 21 LEU N N 21 122.268 122.268 116.996 5.272 19510 9609 1 19 . 1 1 21 21 LEU HA H 21 4.179 4.179 4.043 0.136 19510 9610 1 19 . 1 1 21 21 LEU CA C 21 56.531 56.531 57.242 -0.711 19510 9611 1 19 . 1 1 21 21 LEU CB C 21 40.255 40.255 41.655 -1.400 19510 9612 1 19 . 1 1 21 21 LEU H H 21 8.134 8.134 7.683 0.451 19510 9613 1 19 . 1 1 22 22 ASN N N 22 118.005 118.005 116.176 1.829 19510 9614 1 19 . 1 1 22 22 ASN HA H 22 4.665 4.665 3.723 0.942 19510 9615 1 19 . 1 1 22 22 ASN CA C 22 55.493 55.493 54.677 0.816 19510 9616 1 19 . 1 1 22 22 ASN CB C 22 37.084 37.084 38.732 -1.648 19510 9617 1 19 . 1 1 22 22 ASN H H 22 8.456 8.456 7.533 0.923 19510 9618 1 19 . 1 1 23 23 PHE N N 23 121.379 121.379 121.939 -0.560 19510 9619 1 19 . 1 1 23 23 PHE HA H 23 4.509 4.509 4.056 0.453 19510 9620 1 19 . 1 1 23 23 PHE CA C 23 59.496 59.496 61.348 -1.852 19510 9621 1 19 . 1 1 23 23 PHE CB C 23 37.380 37.380 38.986 -1.606 19510 9622 1 19 . 1 1 23 23 PHE H H 23 8.453 8.453 8.630 -0.177 19510 9623 1 19 . 1 1 24 24 LYS N N 24 120.674 120.674 118.014 2.660 19510 9624 1 19 . 1 1 24 24 LYS HA H 24 4.191 4.191 4.045 0.146 19510 9625 1 19 . 1 1 24 24 LYS C C 24 179.309 179.309 178.478 0.831 19510 9626 1 19 . 1 1 24 24 LYS CA C 24 58.132 58.132 59.300 -1.168 19510 9627 1 19 . 1 1 24 24 LYS CB C 24 31.828 31.828 31.751 0.077 19510 9628 1 19 . 1 1 24 24 LYS H H 24 8.504 8.504 7.718 0.786 19510 9629 1 19 . 1 1 25 25 ALA N N 25 123.584 123.584 122.018 1.566 19510 9630 1 19 . 1 1 25 25 ALA HA H 25 4.146 4.146 4.299 -0.153 19510 9631 1 19 . 1 1 25 25 ALA C C 25 178.243 178.243 179.716 -1.473 19510 9632 1 19 . 1 1 25 25 ALA CA C 25 53.760 53.760 54.259 -0.499 19510 9633 1 19 . 1 1 25 25 ALA CB C 25 16.827 16.827 19.060 -2.233 19510 9634 1 19 . 1 1 25 25 ALA H H 25 8.841 8.841 7.748 1.093 19510 9635 1 19 . 1 1 26 26 GLU N N 26 122.239 122.239 119.719 2.520 19510 9636 1 19 . 1 1 26 26 GLU HA H 26 4.083 4.083 4.153 -0.070 19510 9637 1 19 . 1 1 26 26 GLU C C 26 177.265 177.265 177.130 0.135 19510 9638 1 19 . 1 1 26 26 GLU CA C 26 57.850 57.850 57.971 -0.121 19510 9639 1 19 . 1 1 26 26 GLU CB C 26 28.891 28.891 29.709 -0.818 19510 9640 1 19 . 1 1 26 26 GLU H H 26 8.482 8.482 8.407 0.075 19510 9641 1 19 . 1 1 27 27 ALA N N 27 122.124 122.124 120.610 1.514 19510 9642 1 19 . 1 1 27 27 ALA HA H 27 4.352 4.352 4.746 -0.394 19510 9643 1 19 . 1 1 27 27 ALA C C 27 180.552 180.552 177.092 3.460 19510 9644 1 19 . 1 1 27 27 ALA CA C 27 53.519 53.519 51.931 1.588 19510 9645 1 19 . 1 1 27 27 ALA CB C 27 16.410 16.410 19.459 -3.049 19510 9646 1 19 . 1 1 27 27 ALA H H 27 8.043 8.043 7.626 0.417 19510 9647 1 19 . 1 1 28 28 ARG N N 28 120.375 120.375 118.219 2.156 19510 9648 1 19 . 1 1 28 28 ARG HA H 28 4.441 4.441 4.571 -0.130 19510 9649 1 19 . 1 1 28 28 ARG C C 28 176.309 176.309 176.836 -0.527 19510 9650 1 19 . 1 1 28 28 ARG CA C 28 55.369 55.369 56.213 -0.844 19510 9651 1 19 . 1 1 28 28 ARG CB C 28 28.480 28.480 30.278 -1.798 19510 9652 1 19 . 1 1 28 28 ARG H H 28 8.101 8.101 7.655 0.446 19510 9653 1 19 . 1 1 29 29 ARG N N 29 122.734 122.734 120.456 2.278 19510 9654 1 19 . 1 1 29 29 ARG HA H 29 3.743 3.743 4.093 -0.350 19510 9655 1 19 . 1 1 29 29 ARG CA C 29 58.672 58.672 58.152 0.520 19510 9656 1 19 . 1 1 29 29 ARG CB C 29 29.051 29.051 29.351 -0.300 19510 9657 1 19 . 1 1 29 29 ARG H H 29 8.901 8.901 8.757 0.144 19510 9658 1 19 . 1 1 30 30 ASN N N 30 119.961 119.961 115.645 4.316 19510 9659 1 19 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.729 -0.095 19510 9660 1 19 . 1 1 30 30 ASN C C 30 175.888 175.888 176.805 -0.917 19510 9661 1 19 . 1 1 30 30 ASN CA C 30 55.147 55.147 54.491 0.656 19510 9662 1 19 . 1 1 30 30 ASN CB C 30 35.418 35.418 38.524 -3.106 19510 9663 1 19 . 1 1 30 30 ASN H H 30 8.429 8.429 8.256 0.173 19510 9664 1 19 . 1 1 31 31 ARG N N 31 123.400 123.400 122.773 0.627 19510 9665 1 19 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.035 0.247 19510 9666 1 19 . 1 1 31 31 ARG C C 31 177.804 177.804 178.184 -0.380 19510 9667 1 19 . 1 1 31 31 ARG CA C 31 58.132 58.132 59.053 -0.921 19510 9668 1 19 . 1 1 31 31 ARG CB C 31 27.636 27.636 29.975 -2.339 19510 9669 1 19 . 1 1 31 31 ARG H H 31 8.052 8.052 7.593 0.459 19510 9670 1 19 . 1 1 32 32 LEU N N 32 119.872 119.872 116.238 3.634 19510 9671 1 19 . 1 1 32 32 LEU HA H 32 4.318 4.318 4.518 -0.200 19510 9672 1 19 . 1 1 32 32 LEU C C 32 180.602 180.602 178.351 2.251 19510 9673 1 19 . 1 1 32 32 LEU CA C 32 56.471 56.471 57.102 -0.631 19510 9674 1 19 . 1 1 32 32 LEU CB C 32 40.558 40.558 41.488 -0.930 19510 9675 1 19 . 1 1 32 32 LEU H H 32 8.752 8.752 7.531 1.221 19510 9676 1 19 . 1 1 33 33 LEU N N 33 124.468 124.468 120.252 4.216 19510 9677 1 19 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.171 0.130 19510 9678 1 19 . 1 1 33 33 LEU C C 33 177.992 177.992 178.820 -0.828 19510 9679 1 19 . 1 1 33 33 LEU CA C 33 56.482 56.482 57.310 -0.829 19510 9680 1 19 . 1 1 33 33 LEU CB C 33 41.626 41.626 41.636 -0.010 19510 9681 1 19 . 1 1 33 33 LEU H H 33 9.273 9.273 7.784 1.489 19510 9682 1 19 . 1 1 34 34 GLY N N 34 109.045 109.045 105.583 3.462 19510 9683 1 19 . 1 1 34 34 GLY C C 34 174.530 174.530 175.593 -1.063 19510 9684 1 19 . 1 1 34 34 GLY CA C 34 45.447 45.447 47.359 -1.913 19510 9685 1 19 . 1 1 34 34 GLY H H 34 8.907 8.907 7.968 0.939 19510 9686 1 19 . 1 1 35 35 GLU N N 35 123.414 123.414 122.792 0.622 19510 9687 1 19 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.174 0.003 19510 9688 1 19 . 1 1 35 35 GLU C C 35 178.866 178.866 178.658 0.208 19510 9689 1 19 . 1 1 35 35 GLU CA C 35 59.564 59.564 58.822 0.742 19510 9690 1 19 . 1 1 35 35 GLU CB C 35 27.692 27.692 29.502 -1.810 19510 9691 1 19 . 1 1 35 35 GLU H H 35 8.935 8.935 7.584 1.351 19510 9692 1 19 . 1 1 36 36 TRP N N 36 124.774 124.774 121.872 2.902 19510 9693 1 19 . 1 1 36 36 TRP HA H 36 4.604 4.604 4.239 0.365 19510 9694 1 19 . 1 1 36 36 TRP C C 36 177.618 177.618 177.681 -0.063 19510 9695 1 19 . 1 1 36 36 TRP CA C 36 58.867 58.867 61.261 -2.394 19510 9696 1 19 . 1 1 36 36 TRP CB C 36 26.021 26.021 29.284 -3.263 19510 9697 1 19 . 1 1 36 36 TRP H H 36 8.531 8.531 7.634 0.897 19510 9698 1 19 . 1 1 37 37 ALA N N 37 123.777 123.777 120.952 2.825 19510 9699 1 19 . 1 1 37 37 ALA HA H 37 3.403 3.403 3.315 0.088 19510 9700 1 19 . 1 1 37 37 ALA C C 37 177.427 177.427 178.974 -1.547 19510 9701 1 19 . 1 1 37 37 ALA CA C 37 53.148 53.148 54.792 -1.644 19510 9702 1 19 . 1 1 37 37 ALA CB C 37 18.440 18.440 17.908 0.532 19510 9703 1 19 . 1 1 37 37 ALA H H 37 9.141 9.141 7.753 1.388 19510 9704 1 19 . 1 1 38 38 ALA N N 38 119.259 119.259 121.425 -2.166 19510 9705 1 19 . 1 1 38 38 ALA HA H 38 3.523 3.523 3.486 0.037 19510 9706 1 19 . 1 1 38 38 ALA C C 38 178.670 178.670 179.400 -0.730 19510 9707 1 19 . 1 1 38 38 ALA CA C 38 53.882 53.882 55.273 -1.391 19510 9708 1 19 . 1 1 38 38 ALA CB C 38 17.083 17.083 18.209 -1.125 19510 9709 1 19 . 1 1 38 38 ALA H H 38 8.788 8.788 8.519 0.269 19510 9710 1 19 . 1 1 39 39 GLY N N 39 104.011 104.011 104.931 -0.920 19510 9711 1 19 . 1 1 39 39 GLY C C 39 177.232 177.232 176.174 1.058 19510 9712 1 19 . 1 1 39 39 GLY CA C 39 45.519 45.519 46.678 -1.159 19510 9713 1 19 . 1 1 39 39 GLY H H 39 7.756 7.756 7.782 -0.026 19510 9714 1 19 . 1 1 40 40 LEU N N 40 125.340 125.340 121.225 4.115 19510 9715 1 19 . 1 1 40 40 LEU HA H 40 4.111 4.111 3.918 0.193 19510 9716 1 19 . 1 1 40 40 LEU C C 40 178.203 178.203 178.190 0.013 19510 9717 1 19 . 1 1 40 40 LEU CA C 40 56.123 56.123 56.572 -0.449 19510 9718 1 19 . 1 1 40 40 LEU CB C 40 40.764 40.764 41.633 -0.869 19510 9719 1 19 . 1 1 40 40 LEU H H 40 7.511 7.511 7.053 0.458 19510 9720 1 19 . 1 1 41 41 LEU N N 41 117.234 117.234 115.475 1.759 19510 9721 1 19 . 1 1 41 41 LEU HA H 41 4.139 4.139 3.936 0.203 19510 9722 1 19 . 1 1 41 41 LEU C C 41 176.119 176.119 178.078 -1.959 19510 9723 1 19 . 1 1 41 41 LEU CA C 41 53.213 53.213 56.598 -3.385 19510 9724 1 19 . 1 1 41 41 LEU CB C 41 41.092 41.092 42.238 -1.146 19510 9725 1 19 . 1 1 41 41 LEU H H 41 7.692 7.692 8.061 -0.369 19510 9726 1 19 . 1 1 42 42 GLY N N 42 109.595 109.595 104.456 5.139 19510 9727 1 19 . 1 1 42 42 GLY C C 42 173.775 173.775 174.176 -0.401 19510 9728 1 19 . 1 1 42 42 GLY CA C 42 44.409 44.409 44.553 -0.144 19510 9729 1 19 . 1 1 42 42 GLY H H 42 7.896 7.896 7.736 0.160 19510 9730 1 19 . 1 1 43 43 LYS N N 43 119.965 119.965 123.499 -3.534 19510 9731 1 19 . 1 1 43 43 LYS HA H 43 4.737 4.737 4.199 0.538 19510 9732 1 19 . 1 1 43 43 LYS C C 43 175.246 175.246 175.326 -0.080 19510 9733 1 19 . 1 1 43 43 LYS CA C 43 54.189 54.189 56.745 -2.556 19510 9734 1 19 . 1 1 43 43 LYS CB C 43 33.208 33.208 32.758 0.450 19510 9735 1 19 . 1 1 43 43 LYS H H 43 8.104 8.104 8.097 0.007 19510 9736 1 19 . 1 1 44 44 THR N N 44 114.199 114.199 113.975 0.224 19510 9737 1 19 . 1 1 44 44 THR HA H 44 4.773 4.773 4.509 0.264 19510 9738 1 19 . 1 1 44 44 THR C C 44 174.392 174.392 174.930 -0.538 19510 9739 1 19 . 1 1 44 44 THR CA C 44 58.348 58.348 60.412 -2.064 19510 9740 1 19 . 1 1 44 44 THR CB C 44 70.921 70.921 71.632 -0.712 19510 9741 1 19 . 1 1 44 44 THR H H 44 8.958 8.958 8.121 0.837 19510 9742 1 19 . 1 1 45 45 GLY N N 45 109.657 109.657 110.790 -1.133 19510 9743 1 19 . 1 1 45 45 GLY C C 45 175.330 175.330 175.374 -0.044 19510 9744 1 19 . 1 1 45 45 GLY CA C 45 45.315 45.315 45.993 -0.678 19510 9745 1 19 . 1 1 45 45 GLY H H 45 8.885 8.885 8.417 0.468 19510 9746 1 19 . 1 1 46 46 ASP N N 46 128.403 128.403 124.157 4.246 19510 9747 1 19 . 1 1 46 46 ASP HA H 46 4.561 4.561 4.597 -0.036 19510 9748 1 19 . 1 1 46 46 ASP C C 46 177.343 177.343 177.465 -0.122 19510 9749 1 19 . 1 1 46 46 ASP CA C 46 55.829 55.829 55.782 0.047 19510 9750 1 19 . 1 1 46 46 ASP CB C 46 39.039 39.039 41.018 -1.979 19510 9751 1 19 . 1 1 46 46 ASP H H 46 9.318 9.318 8.610 0.708 19510 9752 1 19 . 1 1 47 47 ASP N N 47 121.367 121.367 119.975 1.392 19510 9753 1 19 . 1 1 47 47 ASP HA H 47 4.668 4.668 4.372 0.296 19510 9754 1 19 . 1 1 47 47 ASP CA C 47 55.545 55.545 57.568 -2.023 19510 9755 1 19 . 1 1 47 47 ASP CB C 47 39.415 39.415 40.745 -1.330 19510 9756 1 19 . 1 1 47 47 ASP H H 47 8.521 8.521 8.113 0.408 19510 9757 1 19 . 1 1 48 48 ALA N N 48 123.210 123.210 121.305 1.905 19510 9758 1 19 . 1 1 48 48 ALA HA H 48 3.940 3.940 3.980 -0.040 19510 9759 1 19 . 1 1 48 48 ALA CA C 48 53.331 53.331 55.252 -1.921 19510 9760 1 19 . 1 1 48 48 ALA CB C 48 16.036 16.036 18.638 -2.602 19510 9761 1 19 . 1 1 48 48 ALA H H 48 7.262 7.262 7.602 -0.340 19510 9762 1 19 . 1 1 49 49 ARG N N 49 120.088 120.088 119.743 0.345 19510 9763 1 19 . 1 1 49 49 ARG HA H 49 4.126 4.126 4.014 0.112 19510 9764 1 19 . 1 1 49 49 ARG CA C 49 57.876 57.876 59.241 -1.365 19510 9765 1 19 . 1 1 49 49 ARG CB C 49 28.774 28.774 30.311 -1.537 19510 9766 1 19 . 1 1 49 49 ARG H H 49 7.805 7.805 7.600 0.205 19510 9767 1 19 . 1 1 50 50 ALA N N 50 121.061 121.061 120.761 0.300 19510 9768 1 19 . 1 1 50 50 ALA HA H 50 4.218 4.218 4.103 0.115 19510 9769 1 19 . 1 1 50 50 ALA CA C 50 53.399 53.399 54.894 -1.495 19510 9770 1 19 . 1 1 50 50 ALA CB C 50 16.672 16.672 18.516 -1.844 19510 9771 1 19 . 1 1 50 50 ALA H H 50 8.387 8.387 8.293 0.094 19510 9772 1 19 . 1 1 51 51 TYR N N 51 119.264 119.264 120.296 -1.032 19510 9773 1 19 . 1 1 51 51 TYR HA H 51 4.231 4.231 4.105 0.126 19510 9774 1 19 . 1 1 51 51 TYR C C 51 178.335 178.335 177.380 0.955 19510 9775 1 19 . 1 1 51 51 TYR CA C 51 60.493 60.493 61.135 -0.642 19510 9776 1 19 . 1 1 51 51 TYR CB C 51 37.094 37.094 38.681 -1.587 19510 9777 1 19 . 1 1 51 51 TYR H H 51 8.095 8.095 8.441 -0.346 19510 9778 1 19 . 1 1 52 52 ALA N N 52 124.002 124.002 121.054 2.948 19510 9779 1 19 . 1 1 52 52 ALA HA H 52 3.899 3.899 3.952 -0.053 19510 9780 1 19 . 1 1 52 52 ALA C C 52 178.352 178.352 179.247 -0.895 19510 9781 1 19 . 1 1 52 52 ALA CA C 52 54.394 54.394 54.743 -0.349 19510 9782 1 19 . 1 1 52 52 ALA CB C 52 16.369 16.369 18.226 -1.857 19510 9783 1 19 . 1 1 52 52 ALA H H 52 8.651 8.651 8.524 0.127 19510 9784 1 19 . 1 1 53 53 LEU N N 53 116.593 116.593 117.352 -0.759 19510 9785 1 19 . 1 1 53 53 LEU HA H 53 4.301 4.301 4.110 0.191 19510 9786 1 19 . 1 1 53 53 LEU C C 53 177.452 177.452 178.568 -1.116 19510 9787 1 19 . 1 1 53 53 LEU CA C 53 55.412 55.412 56.674 -1.262 19510 9788 1 19 . 1 1 53 53 LEU CB C 53 40.510 40.510 41.575 -1.065 19510 9789 1 19 . 1 1 53 53 LEU H H 53 7.664 7.664 7.494 0.170 19510 9790 1 19 . 1 1 54 54 THR N N 54 110.998 110.998 112.204 -1.206 19510 9791 1 19 . 1 1 54 54 THR HA H 54 4.401 4.401 4.315 0.086 19510 9792 1 19 . 1 1 54 54 THR CA C 54 61.997 61.997 62.421 -0.424 19510 9793 1 19 . 1 1 54 54 THR CB C 54 67.988 67.988 69.262 -1.274 19510 9794 1 19 . 1 1 54 54 THR H H 54 7.962 7.962 7.507 0.455 19510 9795 1 19 . 1 1 55 55 VAL N N 55 123.907 123.907 125.954 -2.047 19510 9796 1 19 . 1 1 55 55 VAL HA H 55 3.869 3.869 4.101 -0.232 19510 9797 1 19 . 1 1 55 55 VAL CA C 55 62.373 62.373 61.442 0.931 19510 9798 1 19 . 1 1 55 55 VAL CB C 55 29.037 29.037 30.047 -1.010 19510 9799 1 19 . 1 1 55 55 VAL H H 55 7.217 7.217 7.474 -0.257 19510 9800 1 19 . 1 1 56 56 VAL N N 56 119.176 119.176 123.943 -4.767 19510 9801 1 19 . 1 1 56 56 VAL HA H 56 4.300 4.300 4.488 -0.188 19510 9802 1 19 . 1 1 56 56 VAL CA C 56 55.363 55.363 61.364 -6.001 19510 9803 1 19 . 1 1 56 56 VAL CB C 56 32.466 32.466 32.764 -0.298 19510 9804 1 19 . 1 1 56 56 VAL H H 56 7.474 7.474 7.814 -0.340 19510 9805 1 19 . 1 1 57 57 THR N N 57 114.951 114.951 119.717 -4.766 19510 9806 1 19 . 1 1 57 57 THR HA H 57 4.509 4.509 4.497 0.012 19510 9807 1 19 . 1 1 57 57 THR CA C 57 60.698 60.698 61.697 -0.999 19510 9808 1 19 . 1 1 57 57 THR CB C 57 68.177 68.177 69.624 -1.447 19510 9809 1 19 . 1 1 57 57 THR H H 57 7.992 7.992 8.209 -0.217 19510 9810 1 19 . 1 1 58 58 SER N N 58 119.820 119.820 120.562 -0.742 19510 9811 1 19 . 1 1 58 58 SER HA H 58 4.554 4.554 4.721 -0.167 19510 9812 1 19 . 1 1 58 58 SER CA C 58 57.409 57.409 58.433 -1.024 19510 9813 1 19 . 1 1 58 58 SER CB C 58 62.399 62.399 63.739 -1.340 19510 9814 1 19 . 1 1 58 58 SER H H 58 8.473 8.473 8.559 -0.086 19510 9815 1 19 . 1 1 59 59 ASP N N 59 122.199 122.199 126.328 -4.129 19510 9816 1 19 . 1 1 59 59 ASP HA H 59 4.762 4.762 4.932 -0.170 19510 9817 1 19 . 1 1 59 59 ASP C C 59 175.459 175.459 174.571 0.888 19510 9818 1 19 . 1 1 59 59 ASP CA C 59 52.469 52.469 54.335 -1.866 19510 9819 1 19 . 1 1 59 59 ASP CB C 59 39.455 39.455 42.103 -2.648 19510 9820 1 19 . 1 1 59 59 ASP H H 59 8.285 8.285 8.466 -0.181 19510 9821 1 19 . 1 1 60 60 PHE HA H 60 4.182 4.182 4.690 -0.508 19510 9822 1 19 . 1 1 60 60 PHE CA C 60 59.253 59.253 58.639 0.614 19510 9823 1 19 . 1 1 60 60 PHE CB C 60 35.163 35.163 41.669 -6.506 19510 9824 1 19 . 1 1 63 63 PRO HA H 63 4.606 4.606 4.514 0.092 19510 9825 1 19 . 1 1 63 63 PRO CA C 63 55.716 55.716 63.248 -7.532 19510 9826 1 19 . 1 1 63 63 PRO CB C 63 30.732 30.732 30.588 0.144 19510 9827 1 19 . 1 1 64 64 GLY N N 64 110.382 110.382 111.293 -0.911 19510 9828 1 19 . 1 1 64 64 GLY CA C 64 44.280 44.280 45.349 -1.069 19510 9829 1 19 . 1 1 64 64 GLY H H 64 8.706 8.706 8.059 0.647 19510 9830 1 19 . 1 1 65 65 ASP N N 65 121.977 121.977 121.578 0.399 19510 9831 1 19 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.444 0.219 19510 9832 1 19 . 1 1 65 65 ASP CA C 65 55.765 55.765 55.937 -0.172 19510 9833 1 19 . 1 1 65 65 ASP CB C 65 39.579 39.579 41.064 -1.485 19510 9834 1 19 . 1 1 65 65 ASP H H 65 8.661 8.661 8.228 0.433 19510 9835 1 19 . 1 1 66 66 GLU N N 66 120.065 120.065 114.598 5.467 19510 9836 1 19 . 1 1 66 66 GLU HA H 66 4.437 4.437 3.682 0.755 19510 9837 1 19 . 1 1 66 66 GLU CA C 66 57.520 57.520 57.413 0.107 19510 9838 1 19 . 1 1 66 66 GLU CB C 66 27.598 27.598 28.003 -0.405 19510 9839 1 19 . 1 1 66 66 GLU H H 66 8.643 8.643 8.520 0.123 19510 9840 1 19 . 1 1 67 67 ASP N N 67 120.033 120.033 116.800 3.233 19510 9841 1 19 . 1 1 67 67 ASP HA H 67 4.609 4.609 4.516 0.093 19510 9842 1 19 . 1 1 67 67 ASP CA C 67 55.601 55.601 56.228 -0.627 19510 9843 1 19 . 1 1 67 67 ASP CB C 67 39.106 39.106 40.789 -1.683 19510 9844 1 19 . 1 1 67 67 ASP H H 67 8.272 8.272 8.377 -0.105 19510 9845 1 19 . 1 1 68 68 VAL N N 68 123.206 123.206 119.720 3.486 19510 9846 1 19 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.845 -0.028 19510 9847 1 19 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.962 -0.247 19510 9848 1 19 . 1 1 68 68 VAL CB C 68 30.705 30.705 31.969 -1.264 19510 9849 1 19 . 1 1 68 68 VAL H H 68 8.045 8.045 7.253 0.792 19510 9850 1 19 . 1 1 69 69 PHE N N 69 120.600 120.600 120.672 -0.072 19510 9851 1 19 . 1 1 69 69 PHE HA H 69 4.158 4.158 4.198 -0.040 19510 9852 1 19 . 1 1 69 69 PHE CA C 69 61.013 61.013 61.326 -0.313 19510 9853 1 19 . 1 1 69 69 PHE CB C 69 37.455 37.455 39.097 -1.642 19510 9854 1 19 . 1 1 69 69 PHE H H 69 8.488 8.488 8.307 0.181 19510 9855 1 19 . 1 1 70 70 ARG N N 70 117.820 117.820 119.880 -2.060 19510 9856 1 19 . 1 1 70 70 ARG HA H 70 3.755 3.755 3.899 -0.144 19510 9857 1 19 . 1 1 70 70 ARG C C 70 178.813 178.813 178.471 0.342 19510 9858 1 19 . 1 1 70 70 ARG CA C 70 58.184 58.184 60.087 -1.903 19510 9859 1 19 . 1 1 70 70 ARG CB C 70 28.899 28.899 30.144 -1.245 19510 9860 1 19 . 1 1 70 70 ARG H H 70 8.611 8.611 7.831 0.780 19510 9861 1 19 . 1 1 71 71 LYS N N 71 121.726 121.726 118.820 2.906 19510 9862 1 19 . 1 1 71 71 LYS HA H 71 4.253 4.253 4.125 0.128 19510 9863 1 19 . 1 1 71 71 LYS C C 71 177.020 177.020 178.815 -1.795 19510 9864 1 19 . 1 1 71 71 LYS CA C 71 58.490 58.490 57.934 0.556 19510 9865 1 19 . 1 1 71 71 LYS CB C 71 31.216 31.216 31.797 -0.581 19510 9866 1 19 . 1 1 71 71 LYS H H 71 7.686 7.686 7.703 -0.017 19510 9867 1 19 . 1 1 72 72 LEU N N 72 119.355 119.355 121.543 -2.188 19510 9868 1 19 . 1 1 72 72 LEU HA H 72 4.051 4.051 4.008 0.043 19510 9869 1 19 . 1 1 72 72 LEU C C 72 177.378 177.378 178.622 -1.244 19510 9870 1 19 . 1 1 72 72 LEU CA C 72 56.317 56.317 57.848 -1.531 19510 9871 1 19 . 1 1 72 72 LEU CB C 72 41.148 41.148 41.112 0.036 19510 9872 1 19 . 1 1 72 72 LEU H H 72 8.215 8.215 8.589 -0.374 19510 9873 1 19 . 1 1 73 73 ALA N N 73 121.106 121.106 120.037 1.069 19510 9874 1 19 . 1 1 73 73 ALA HA H 73 3.767 3.767 3.731 0.036 19510 9875 1 19 . 1 1 73 73 ALA C C 73 179.644 179.644 178.737 0.907 19510 9876 1 19 . 1 1 73 73 ALA CA C 73 53.263 53.263 54.752 -1.489 19510 9877 1 19 . 1 1 73 73 ALA CB C 73 15.930 15.930 17.640 -1.710 19510 9878 1 19 . 1 1 73 73 ALA H H 73 9.143 9.143 7.836 1.307 19510 9879 1 19 . 1 1 74 74 ALA N N 74 119.383 119.383 119.167 0.216 19510 9880 1 19 . 1 1 74 74 ALA HA H 74 4.384 4.384 4.086 0.298 19510 9881 1 19 . 1 1 74 74 ALA C C 74 179.752 179.752 180.177 -0.425 19510 9882 1 19 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.268 -0.744 19510 9883 1 19 . 1 1 74 74 ALA CB C 74 17.094 17.094 18.382 -1.288 19510 9884 1 19 . 1 1 74 74 ALA H H 74 7.403 7.403 7.425 -0.022 19510 9885 1 19 . 1 1 75 75 ASP N N 75 120.226 120.226 119.028 1.198 19510 9886 1 19 . 1 1 75 75 ASP HA H 75 4.523 4.523 4.463 0.060 19510 9887 1 19 . 1 1 75 75 ASP C C 75 177.704 177.704 176.484 1.220 19510 9888 1 19 . 1 1 75 75 ASP CA C 75 55.312 55.312 56.962 -1.650 19510 9889 1 19 . 1 1 75 75 ASP CB C 75 38.326 38.326 41.378 -3.052 19510 9890 1 19 . 1 1 75 75 ASP H H 75 8.536 8.536 8.020 0.516 19510 9891 1 19 . 1 1 76 76 LEU N N 76 115.468 115.468 116.556 -1.088 19510 9892 1 19 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.488 -0.096 19510 9893 1 19 . 1 1 76 76 LEU C C 76 174.790 174.790 175.055 -0.265 19510 9894 1 19 . 1 1 76 76 LEU CA C 76 52.624 52.624 52.973 -0.349 19510 9895 1 19 . 1 1 76 76 LEU CB C 76 39.594 39.594 42.807 -3.213 19510 9896 1 19 . 1 1 76 76 LEU H H 76 8.612 8.612 7.692 0.920 19510 9897 1 19 . 1 1 77 77 GLU N N 77 124.725 124.725 122.044 2.681 19510 9898 1 19 . 1 1 77 77 GLU HA H 77 4.343 4.343 4.051 0.292 19510 9899 1 19 . 1 1 77 77 GLU C C 77 176.953 176.953 177.883 -0.930 19510 9900 1 19 . 1 1 77 77 GLU CA C 77 57.345 57.345 58.007 -0.662 19510 9901 1 19 . 1 1 77 77 GLU CB C 77 27.555 27.555 29.657 -2.102 19510 9902 1 19 . 1 1 77 77 GLU H H 77 7.158 7.158 7.192 -0.034 19510 9903 1 19 . 1 1 78 78 GLY N N 78 118.105 118.105 114.800 3.305 19510 9904 1 19 . 1 1 78 78 GLY C C 78 173.075 173.075 174.547 -1.472 19510 9905 1 19 . 1 1 78 78 GLY CA C 78 44.269 44.269 45.991 -1.722 19510 9906 1 19 . 1 1 78 78 GLY H H 78 9.392 9.392 9.089 0.303 19510 9907 1 19 . 1 1 79 79 LYS N N 79 120.237 120.237 117.056 3.181 19510 9908 1 19 . 1 1 79 79 LYS HA H 79 4.663 4.663 4.587 0.076 19510 9909 1 19 . 1 1 79 79 LYS C C 79 175.050 175.050 175.261 -0.211 19510 9910 1 19 . 1 1 79 79 LYS CA C 79 54.683 54.683 55.657 -0.974 19510 9911 1 19 . 1 1 79 79 LYS CB C 79 33.435 33.435 33.422 0.013 19510 9912 1 19 . 1 1 79 79 LYS H H 79 8.809 8.809 8.154 0.655 19510 9913 1 19 . 1 1 80 80 ALA N N 80 121.135 121.135 122.573 -1.438 19510 9914 1 19 . 1 1 80 80 ALA HA H 80 4.893 4.893 4.678 0.215 19510 9915 1 19 . 1 1 80 80 ALA C C 80 174.051 174.051 174.649 -0.598 19510 9916 1 19 . 1 1 80 80 ALA CA C 80 50.289 50.289 51.697 -1.408 19510 9917 1 19 . 1 1 80 80 ALA CB C 80 20.483 20.483 20.861 -0.378 19510 9918 1 19 . 1 1 80 80 ALA H H 80 8.169 8.169 7.498 0.671 19510 9919 1 19 . 1 1 81 81 ASP N N 81 121.569 121.569 118.352 3.217 19510 9920 1 19 . 1 1 81 81 ASP HA H 81 4.898 4.898 4.982 -0.084 19510 9921 1 19 . 1 1 81 81 ASP CA C 81 50.397 50.397 53.234 -2.837 19510 9922 1 19 . 1 1 81 81 ASP CB C 81 40.401 40.401 43.205 -2.804 19510 9923 1 19 . 1 1 81 81 ASP H H 81 8.330 8.330 8.278 0.052 19510 9924 1 19 . 1 1 82 82 GLU N N 82 119.843 119.843 120.816 -0.973 19510 9925 1 19 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.411 -0.226 19510 9926 1 19 . 1 1 82 82 GLU C C 82 177.350 177.350 177.734 -0.384 19510 9927 1 19 . 1 1 82 82 GLU CA C 82 59.676 59.676 58.843 0.833 19510 9928 1 19 . 1 1 82 82 GLU CB C 82 27.893 27.893 30.012 -2.119 19510 9929 1 19 . 1 1 82 82 GLU H H 82 8.923 8.923 8.871 0.052 19510 9930 1 19 . 1 1 83 83 GLU N N 83 119.348 119.348 116.548 2.800 19510 9931 1 19 . 1 1 83 83 GLU HA H 83 4.177 4.177 4.547 -0.370 19510 9932 1 19 . 1 1 83 83 GLU C C 83 178.794 178.794 177.355 1.439 19510 9933 1 19 . 1 1 83 83 GLU CA C 83 59.082 59.082 56.751 2.331 19510 9934 1 19 . 1 1 83 83 GLU CB C 83 28.879 28.879 30.021 -1.142 19510 9935 1 19 . 1 1 83 83 GLU H H 83 8.832 8.832 8.497 0.335 19510 9936 1 19 . 1 1 84 84 THR N N 84 119.892 119.892 116.256 3.636 19510 9937 1 19 . 1 1 84 84 THR HA H 84 4.140 4.140 4.373 -0.234 19510 9938 1 19 . 1 1 84 84 THR C C 84 176.165 176.165 175.808 0.357 19510 9939 1 19 . 1 1 84 84 THR CA C 84 65.721 65.721 65.023 0.698 19510 9940 1 19 . 1 1 84 84 THR CB C 84 66.751 66.751 69.918 -3.167 19510 9941 1 19 . 1 1 84 84 THR H H 84 8.576 8.576 7.926 0.650 19510 9942 1 19 . 1 1 85 85 ILE N N 85 123.655 123.655 120.904 2.751 19510 9943 1 19 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.766 0.053 19510 9944 1 19 . 1 1 85 85 ILE C C 85 174.809 174.809 176.928 -2.119 19510 9945 1 19 . 1 1 85 85 ILE CA C 85 64.891 64.891 66.043 -1.152 19510 9946 1 19 . 1 1 85 85 ILE CB C 85 37.797 37.797 37.829 -0.032 19510 9947 1 19 . 1 1 85 85 ILE H H 85 8.572 8.572 7.968 0.604 19510 9948 1 19 . 1 1 86 86 ARG N N 86 119.670 119.670 119.968 -0.298 19510 9949 1 19 . 1 1 86 86 ARG HA H 86 4.186 4.186 3.501 0.685 19510 9950 1 19 . 1 1 86 86 ARG CA C 86 58.766 58.766 58.765 0.001 19510 9951 1 19 . 1 1 86 86 ARG CB C 86 28.165 28.165 28.327 -0.162 19510 9952 1 19 . 1 1 86 86 ARG H H 86 9.092 9.092 8.498 0.594 19510 9953 1 19 . 1 1 87 87 ALA N N 87 121.431 121.431 118.961 2.470 19510 9954 1 19 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.169 0.138 19510 9955 1 19 . 1 1 87 87 ALA CA C 87 53.558 53.558 53.407 0.151 19510 9956 1 19 . 1 1 87 87 ALA CB C 87 16.382 16.382 18.155 -1.773 19510 9957 1 19 . 1 1 87 87 ALA H H 87 8.242 8.242 8.182 0.060 19510 9958 1 19 . 1 1 88 88 LYS N N 88 122.742 122.742 120.332 2.410 19510 9959 1 19 . 1 1 88 88 LYS HA H 88 4.011 4.011 4.012 -0.001 19510 9960 1 19 . 1 1 88 88 LYS CA C 88 55.172 55.172 58.144 -2.972 19510 9961 1 19 . 1 1 88 88 LYS CB C 88 29.078 29.078 32.150 -3.072 19510 9962 1 19 . 1 1 88 88 LYS H H 88 8.182 8.182 7.480 0.702 19510 9963 1 19 . 1 1 89 89 MET N N 89 118.686 118.686 117.050 1.636 19510 9964 1 19 . 1 1 89 89 MET HA H 89 3.854 3.854 4.104 -0.250 19510 9965 1 19 . 1 1 89 89 MET CA C 89 59.175 59.175 58.806 0.369 19510 9966 1 19 . 1 1 89 89 MET CB C 89 31.697 31.697 32.163 -0.467 19510 9967 1 19 . 1 1 89 89 MET H H 89 8.504 8.504 7.307 1.197 19510 9968 1 19 . 1 1 90 90 VAL N N 90 120.987 120.987 117.349 3.638 19510 9969 1 19 . 1 1 90 90 VAL HA H 90 3.853 3.853 3.652 0.201 19510 9970 1 19 . 1 1 90 90 VAL C C 90 178.017 178.017 178.927 -0.910 19510 9971 1 19 . 1 1 90 90 VAL CA C 90 64.868 64.868 65.409 -0.541 19510 9972 1 19 . 1 1 90 90 VAL CB C 90 31.054 31.054 31.323 -0.269 19510 9973 1 19 . 1 1 90 90 VAL H H 90 7.573 7.573 7.429 0.144 19510 9974 1 19 . 1 1 91 91 GLU N N 91 124.236 124.236 120.199 4.037 19510 9975 1 19 . 1 1 91 91 GLU HA H 91 3.802 3.802 4.034 -0.232 19510 9976 1 19 . 1 1 91 91 GLU C C 91 177.612 177.612 179.334 -1.722 19510 9977 1 19 . 1 1 91 91 GLU CA C 91 58.414 58.414 59.111 -0.697 19510 9978 1 19 . 1 1 91 91 GLU CB C 91 30.606 30.606 29.197 1.409 19510 9979 1 19 . 1 1 91 91 GLU H H 91 8.494 8.494 7.649 0.845 19510 9980 1 19 . 1 1 92 92 LEU N N 92 114.818 114.818 117.903 -3.085 19510 9981 1 19 . 1 1 92 92 LEU HA H 92 4.336 4.336 4.116 0.220 19510 9982 1 19 . 1 1 92 92 LEU C C 92 177.928 177.928 178.284 -0.356 19510 9983 1 19 . 1 1 92 92 LEU CA C 92 56.351 56.351 56.065 0.286 19510 9984 1 19 . 1 1 92 92 LEU CB C 92 39.780 39.780 40.956 -1.176 19510 9985 1 19 . 1 1 92 92 LEU H H 92 8.833 8.833 7.554 1.279 19510 9986 1 19 . 1 1 93 93 ARG N N 93 123.398 123.398 119.646 3.752 19510 9987 1 19 . 1 1 93 93 ARG HA H 93 3.997 3.997 3.958 0.039 19510 9988 1 19 . 1 1 93 93 ARG C C 93 176.350 176.350 178.352 -2.002 19510 9989 1 19 . 1 1 93 93 ARG CA C 93 58.848 58.848 59.260 -0.412 19510 9990 1 19 . 1 1 93 93 ARG CB C 93 28.592 28.592 29.317 -0.725 19510 9991 1 19 . 1 1 93 93 ARG H H 93 7.746 7.746 7.797 -0.051 19510 9992 1 19 . 1 1 94 94 ALA N N 94 122.480 122.480 119.893 2.587 19510 9993 1 19 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.462 -0.201 19510 9994 1 19 . 1 1 94 94 ALA C C 94 179.805 179.805 178.615 1.190 19510 9995 1 19 . 1 1 94 94 ALA CA C 94 54.529 54.529 53.497 1.032 19510 9996 1 19 . 1 1 94 94 ALA CB C 94 16.423 16.423 18.226 -1.803 19510 9997 1 19 . 1 1 94 94 ALA H H 94 7.322 7.322 7.942 -0.620 19510 9998 1 19 . 1 1 95 95 THR N N 95 116.936 116.936 116.543 0.393 19510 9999 1 19 . 1 1 95 95 THR HA H 95 4.045 4.045 3.951 0.094 19510 10000 1 19 . 1 1 95 95 THR C C 95 175.007 175.007 175.813 -0.806 19510 10001 1 19 . 1 1 95 95 THR CA C 95 64.868 64.868 66.882 -2.014 19510 10002 1 19 . 1 1 95 95 THR CB C 95 67.633 67.633 68.461 -0.828 19510 10003 1 19 . 1 1 95 95 THR H H 95 8.275 8.275 7.551 0.724 19510 10004 1 19 . 1 1 96 96 ALA N N 96 123.969 123.969 122.333 1.636 19510 10005 1 19 . 1 1 96 96 ALA HA H 96 3.904 3.904 4.088 -0.184 19510 10006 1 19 . 1 1 96 96 ALA C C 96 178.184 178.184 179.037 -0.853 19510 10007 1 19 . 1 1 96 96 ALA CA C 96 54.098 54.098 54.599 -0.501 19510 10008 1 19 . 1 1 96 96 ALA CB C 96 18.118 18.118 18.430 -0.312 19510 10009 1 19 . 1 1 96 96 ALA H H 96 8.688 8.688 7.830 0.858 19510 10010 1 19 . 1 1 97 97 ARG N N 97 117.393 117.393 118.590 -1.197 19510 10011 1 19 . 1 1 97 97 ARG HA H 97 3.857 3.857 4.148 -0.291 19510 10012 1 19 . 1 1 97 97 ARG C C 97 176.770 176.770 178.150 -1.380 19510 10013 1 19 . 1 1 97 97 ARG CA C 97 58.669 58.669 58.848 -0.179 19510 10014 1 19 . 1 1 97 97 ARG CB C 97 28.932 28.932 29.501 -0.569 19510 10015 1 19 . 1 1 97 97 ARG H H 97 8.073 8.073 7.657 0.416 19510 10016 1 19 . 1 1 98 98 GLU N N 98 118.029 118.029 118.350 -0.321 19510 10017 1 19 . 1 1 98 98 GLU HA H 98 4.180 4.180 3.959 0.221 19510 10018 1 19 . 1 1 98 98 GLU C C 98 178.865 178.865 178.969 -0.104 19510 10019 1 19 . 1 1 98 98 GLU CA C 98 57.867 57.867 59.927 -2.060 19510 10020 1 19 . 1 1 98 98 GLU CB C 98 27.704 27.704 29.285 -1.581 19510 10021 1 19 . 1 1 98 98 GLU H H 98 7.896 7.896 7.921 -0.025 19510 10022 1 19 . 1 1 99 99 GLN N N 99 119.735 119.735 117.236 2.499 19510 10023 1 19 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.146 0.039 19510 10024 1 19 . 1 1 99 99 GLN C C 99 178.146 178.146 178.631 -0.485 19510 10025 1 19 . 1 1 99 99 GLN CA C 99 57.748 57.748 58.689 -0.941 19510 10026 1 19 . 1 1 99 99 GLN CB C 99 27.529 27.529 28.318 -0.789 19510 10027 1 19 . 1 1 99 99 GLN H H 99 8.320 8.320 8.638 -0.318 19510 10028 1 19 . 1 1 100 100 ILE N N 100 119.676 119.676 119.102 0.574 19510 10029 1 19 . 1 1 100 100 ILE HA H 100 3.993 3.993 4.231 -0.238 19510 10030 1 19 . 1 1 100 100 ILE C C 100 178.315 178.315 177.365 0.950 19510 10031 1 19 . 1 1 100 100 ILE CA C 100 60.935 60.935 62.078 -1.143 19510 10032 1 19 . 1 1 100 100 ILE CB C 100 34.935 34.935 38.243 -3.308 19510 10033 1 19 . 1 1 100 100 ILE H H 100 8.398 8.398 7.424 0.974 19510 10034 1 19 . 1 1 101 101 ILE N N 101 120.600 120.600 119.139 1.461 19510 10035 1 19 . 1 1 101 101 ILE HA H 101 4.027 4.027 3.950 0.077 19510 10036 1 19 . 1 1 101 101 ILE C C 101 177.006 177.006 178.451 -1.445 19510 10037 1 19 . 1 1 101 101 ILE CA C 101 62.382 62.382 64.200 -1.818 19510 10038 1 19 . 1 1 101 101 ILE CB C 101 36.195 36.195 37.564 -1.369 19510 10039 1 19 . 1 1 101 101 ILE H H 101 8.350 8.350 7.568 0.782 19510 10040 1 19 . 1 1 102 102 SER N N 102 116.172 116.172 114.726 1.446 19510 10041 1 19 . 1 1 102 102 SER HA H 102 4.589 4.589 4.335 0.254 19510 10042 1 19 . 1 1 102 102 SER C C 102 173.845 173.845 174.831 -0.986 19510 10043 1 19 . 1 1 102 102 SER CA C 102 58.735 58.735 60.818 -2.083 19510 10044 1 19 . 1 1 102 102 SER CB C 102 62.254 62.254 63.938 -1.684 19510 10045 1 19 . 1 1 102 102 SER H H 102 7.896 7.896 8.081 -0.185 19510 10046 1 19 . 1 1 103 103 GLU N N 103 122.642 122.642 120.715 1.927 19510 10047 1 19 . 1 1 103 103 GLU HA H 103 4.473 4.473 4.553 -0.080 19510 10048 1 19 . 1 1 103 103 GLU C C 103 175.095 175.095 175.346 -0.251 19510 10049 1 19 . 1 1 103 103 GLU CA C 103 55.006 55.006 54.812 0.194 19510 10050 1 19 . 1 1 103 103 GLU CB C 103 28.770 28.770 30.329 -1.560 19510 10051 1 19 . 1 1 103 103 GLU H H 103 7.780 7.780 7.580 0.200 19510 10052 1 20 . 1 1 4 4 PHE N N 4 122.548 122.548 127.478 -4.930 19510 10053 1 20 . 1 1 4 4 PHE HA H 4 4.680 4.680 4.939 -0.259 19510 10054 1 20 . 1 1 4 4 PHE CA C 4 57.087 57.087 57.017 0.070 19510 10055 1 20 . 1 1 4 4 PHE CB C 4 38.126 38.126 40.666 -2.540 19510 10056 1 20 . 1 1 4 4 PHE H H 4 8.328 8.328 8.527 -0.199 19510 10057 1 20 . 1 1 7 7 ARG N N 7 121.962 121.962 121.277 0.685 19510 10058 1 20 . 1 1 7 7 ARG HA H 7 4.265 4.265 4.093 0.172 19510 10059 1 20 . 1 1 7 7 ARG C C 7 176.683 176.683 175.759 0.924 19510 10060 1 20 . 1 1 7 7 ARG CA C 7 56.502 56.502 57.511 -1.009 19510 10061 1 20 . 1 1 7 7 ARG CB C 7 28.840 28.840 30.902 -2.062 19510 10062 1 20 . 1 1 7 7 ARG H H 7 8.339 8.339 8.050 0.289 19510 10063 1 20 . 1 1 8 8 GLU N N 8 121.095 121.095 117.340 3.755 19510 10064 1 20 . 1 1 8 8 GLU HA H 8 4.233 4.233 4.575 -0.342 19510 10065 1 20 . 1 1 8 8 GLU C C 8 176.964 176.964 175.826 1.138 19510 10066 1 20 . 1 1 8 8 GLU CA C 8 57.517 57.517 56.969 0.548 19510 10067 1 20 . 1 1 8 8 GLU CB C 8 27.744 27.744 33.846 -6.102 19510 10068 1 20 . 1 1 8 8 GLU H H 8 8.384 8.384 8.784 -0.400 19510 10069 1 20 . 1 1 9 9 ARG N N 9 121.320 121.320 118.911 2.409 19510 10070 1 20 . 1 1 9 9 ARG HA H 9 4.310 4.310 4.744 -0.434 19510 10071 1 20 . 1 1 9 9 ARG C C 9 176.563 176.563 174.036 2.527 19510 10072 1 20 . 1 1 9 9 ARG CA C 9 56.233 56.233 54.856 1.377 19510 10073 1 20 . 1 1 9 9 ARG CB C 9 28.977 28.977 32.718 -3.741 19510 10074 1 20 . 1 1 9 9 ARG H H 9 8.291 8.291 8.262 0.029 19510 10075 1 20 . 1 1 10 10 ALA N N 10 123.900 123.900 127.129 -3.229 19510 10076 1 20 . 1 1 10 10 ALA HA H 10 4.333 4.333 4.834 -0.501 19510 10077 1 20 . 1 1 10 10 ALA C C 10 178.129 178.129 177.416 0.713 19510 10078 1 20 . 1 1 10 10 ALA CA C 10 52.348 52.348 52.017 0.331 19510 10079 1 20 . 1 1 10 10 ALA CB C 10 17.396 17.396 18.956 -1.560 19510 10080 1 20 . 1 1 10 10 ALA H H 10 8.225 8.225 8.486 -0.261 19510 10081 1 20 . 1 1 11 11 HIS N N 11 117.829 117.829 121.048 -3.219 19510 10082 1 20 . 1 1 11 11 HIS HA H 11 4.740 4.740 4.284 0.456 19510 10083 1 20 . 1 1 11 11 HIS C C 11 175.013 175.013 175.263 -0.250 19510 10084 1 20 . 1 1 11 11 HIS CA C 11 55.041 55.041 56.226 -1.185 19510 10085 1 20 . 1 1 11 11 HIS CB C 11 27.391 27.391 29.782 -2.391 19510 10086 1 20 . 1 1 11 11 HIS H H 11 8.500 8.500 8.631 -0.131 19510 10087 1 20 . 1 1 12 12 GLU N N 12 121.398 121.398 117.728 3.670 19510 10088 1 20 . 1 1 12 12 GLU HA H 12 4.326 4.326 3.763 0.563 19510 10089 1 20 . 1 1 12 12 GLU C C 12 176.808 176.808 175.189 1.619 19510 10090 1 20 . 1 1 12 12 GLU CA C 12 56.517 56.517 56.069 0.448 19510 10091 1 20 . 1 1 12 12 GLU CB C 12 28.289 28.289 26.722 1.567 19510 10092 1 20 . 1 1 12 12 GLU H H 12 8.456 8.456 8.776 -0.320 19510 10093 1 20 . 1 1 13 13 ALA N N 13 124.231 124.231 119.137 5.094 19510 10094 1 20 . 1 1 13 13 ALA HA H 13 4.309 4.309 3.507 0.802 19510 10095 1 20 . 1 1 13 13 ALA C C 13 178.197 178.197 178.600 -0.403 19510 10096 1 20 . 1 1 13 13 ALA CA C 13 53.511 53.511 53.454 0.057 19510 10097 1 20 . 1 1 13 13 ALA CB C 13 17.174 17.174 18.043 -0.869 19510 10098 1 20 . 1 1 13 13 ALA H H 13 8.444 8.444 8.086 0.358 19510 10099 1 20 . 1 1 14 14 LYS N N 14 120.159 120.159 117.777 2.382 19510 10100 1 20 . 1 1 14 14 LYS HA H 14 4.257 4.257 4.143 0.114 19510 10101 1 20 . 1 1 14 14 LYS C C 14 176.757 176.757 178.024 -1.267 19510 10102 1 20 . 1 1 14 14 LYS CA C 14 56.461 56.461 57.591 -1.130 19510 10103 1 20 . 1 1 14 14 LYS CB C 14 31.191 31.191 31.851 -0.660 19510 10104 1 20 . 1 1 14 14 LYS H H 14 8.136 8.136 7.980 0.156 19510 10105 1 20 . 1 1 15 15 PHE N N 15 118.588 118.588 118.727 -0.139 19510 10106 1 20 . 1 1 15 15 PHE HA H 15 4.527 4.527 4.365 0.162 19510 10107 1 20 . 1 1 15 15 PHE C C 15 175.635 175.635 176.882 -1.247 19510 10108 1 20 . 1 1 15 15 PHE CA C 15 57.992 57.992 60.145 -2.153 19510 10109 1 20 . 1 1 15 15 PHE CB C 15 37.908 37.908 38.526 -0.619 19510 10110 1 20 . 1 1 15 15 PHE H H 15 7.998 7.998 7.900 0.098 19510 10111 1 20 . 1 1 16 16 ALA N N 16 122.847 122.847 119.619 3.228 19510 10112 1 20 . 1 1 16 16 ALA HA H 16 4.317 4.317 4.339 -0.022 19510 10113 1 20 . 1 1 16 16 ALA C C 16 177.641 177.641 176.931 0.710 19510 10114 1 20 . 1 1 16 16 ALA CA C 16 52.317 52.317 52.734 -0.417 19510 10115 1 20 . 1 1 16 16 ALA CB C 16 17.378 17.378 19.137 -1.759 19510 10116 1 20 . 1 1 16 16 ALA H H 16 8.172 8.172 7.844 0.328 19510 10117 1 20 . 1 1 17 17 HIS N N 17 115.904 115.904 116.885 -0.981 19510 10118 1 20 . 1 1 17 17 HIS HA H 17 4.839 4.839 4.658 0.181 19510 10119 1 20 . 1 1 17 17 HIS CA C 17 54.594 54.594 55.767 -1.173 19510 10120 1 20 . 1 1 17 17 HIS CB C 17 27.532 27.532 32.337 -4.805 19510 10121 1 20 . 1 1 17 17 HIS H H 17 8.218 8.218 7.788 0.430 19510 10122 1 20 . 1 1 18 18 ASP N N 18 121.432 121.432 118.832 2.600 19510 10123 1 20 . 1 1 18 18 ASP HA H 18 4.758 4.758 4.337 0.421 19510 10124 1 20 . 1 1 18 18 ASP CA C 18 53.004 53.004 55.444 -2.440 19510 10125 1 20 . 1 1 18 18 ASP CB C 18 39.571 39.571 41.187 -1.616 19510 10126 1 20 . 1 1 18 18 ASP H H 18 8.103 8.103 7.839 0.264 19510 10127 1 20 . 1 1 19 19 ALA N N 19 126.628 126.628 121.445 5.183 19510 10128 1 20 . 1 1 19 19 ALA HA H 19 4.303 4.303 4.487 -0.184 19510 10129 1 20 . 1 1 19 19 ALA CA C 19 53.177 53.177 52.466 0.711 19510 10130 1 20 . 1 1 19 19 ALA CB C 19 17.231 17.231 20.317 -3.086 19510 10131 1 20 . 1 1 19 19 ALA H H 19 8.588 8.588 8.305 0.283 19510 10132 1 20 . 1 1 20 20 GLU N N 20 119.826 119.826 120.528 -0.702 19510 10133 1 20 . 1 1 20 20 GLU HA H 20 4.314 4.314 4.099 0.215 19510 10134 1 20 . 1 1 20 20 GLU CA C 20 57.403 57.403 59.178 -1.775 19510 10135 1 20 . 1 1 20 20 GLU CB C 20 27.780 27.780 29.642 -1.862 19510 10136 1 20 . 1 1 20 20 GLU H H 20 8.391 8.391 8.453 -0.062 19510 10137 1 20 . 1 1 21 21 LEU N N 21 122.268 122.268 119.300 2.968 19510 10138 1 20 . 1 1 21 21 LEU HA H 21 4.179 4.179 4.231 -0.052 19510 10139 1 20 . 1 1 21 21 LEU CA C 21 56.531 56.531 57.424 -0.893 19510 10140 1 20 . 1 1 21 21 LEU CB C 21 40.255 40.255 40.718 -0.463 19510 10141 1 20 . 1 1 21 21 LEU H H 21 8.134 8.134 8.047 0.087 19510 10142 1 20 . 1 1 22 22 ASN N N 22 118.005 118.005 117.308 0.697 19510 10143 1 20 . 1 1 22 22 ASN HA H 22 4.665 4.665 4.103 0.562 19510 10144 1 20 . 1 1 22 22 ASN CA C 22 55.493 55.493 55.609 -0.116 19510 10145 1 20 . 1 1 22 22 ASN CB C 22 37.084 37.084 38.094 -1.010 19510 10146 1 20 . 1 1 22 22 ASN H H 22 8.456 8.456 8.081 0.375 19510 10147 1 20 . 1 1 23 23 PHE N N 23 121.379 121.379 119.673 1.706 19510 10148 1 20 . 1 1 23 23 PHE HA H 23 4.509 4.509 4.062 0.447 19510 10149 1 20 . 1 1 23 23 PHE CA C 23 59.496 59.496 61.570 -2.074 19510 10150 1 20 . 1 1 23 23 PHE CB C 23 37.380 37.380 39.076 -1.696 19510 10151 1 20 . 1 1 23 23 PHE H H 23 8.453 8.453 7.757 0.696 19510 10152 1 20 . 1 1 24 24 LYS N N 24 120.674 120.674 118.265 2.409 19510 10153 1 20 . 1 1 24 24 LYS HA H 24 4.191 4.191 3.976 0.215 19510 10154 1 20 . 1 1 24 24 LYS C C 24 179.309 179.309 178.848 0.461 19510 10155 1 20 . 1 1 24 24 LYS CA C 24 58.132 58.132 59.545 -1.413 19510 10156 1 20 . 1 1 24 24 LYS CB C 24 31.828 31.828 32.318 -0.490 19510 10157 1 20 . 1 1 24 24 LYS H H 24 8.504 8.504 7.780 0.724 19510 10158 1 20 . 1 1 25 25 ALA N N 25 123.584 123.584 119.722 3.862 19510 10159 1 20 . 1 1 25 25 ALA HA H 25 4.146 4.146 4.131 0.015 19510 10160 1 20 . 1 1 25 25 ALA C C 25 178.243 178.243 178.242 0.001 19510 10161 1 20 . 1 1 25 25 ALA CA C 25 53.760 53.760 53.876 -0.116 19510 10162 1 20 . 1 1 25 25 ALA CB C 25 16.827 16.827 17.948 -1.121 19510 10163 1 20 . 1 1 25 25 ALA H H 25 8.841 8.841 7.763 1.078 19510 10164 1 20 . 1 1 26 26 GLU N N 26 122.239 122.239 117.980 4.259 19510 10165 1 20 . 1 1 26 26 GLU HA H 26 4.083 4.083 4.156 -0.073 19510 10166 1 20 . 1 1 26 26 GLU C C 26 177.265 177.265 176.053 1.212 19510 10167 1 20 . 1 1 26 26 GLU CA C 26 57.850 57.850 57.349 0.501 19510 10168 1 20 . 1 1 26 26 GLU CB C 26 28.891 28.891 30.506 -1.615 19510 10169 1 20 . 1 1 26 26 GLU H H 26 8.482 8.482 7.888 0.594 19510 10170 1 20 . 1 1 27 27 ALA N N 27 122.124 122.124 121.878 0.246 19510 10171 1 20 . 1 1 27 27 ALA HA H 27 4.352 4.352 4.716 -0.364 19510 10172 1 20 . 1 1 27 27 ALA C C 27 180.552 180.552 176.968 3.584 19510 10173 1 20 . 1 1 27 27 ALA CA C 27 53.519 53.519 52.297 1.222 19510 10174 1 20 . 1 1 27 27 ALA CB C 27 16.410 16.410 19.165 -2.755 19510 10175 1 20 . 1 1 27 27 ALA H H 27 8.043 8.043 7.683 0.360 19510 10176 1 20 . 1 1 28 28 ARG N N 28 120.375 120.375 117.080 3.295 19510 10177 1 20 . 1 1 28 28 ARG HA H 28 4.441 4.441 4.432 0.009 19510 10178 1 20 . 1 1 28 28 ARG C C 28 176.309 176.309 176.993 -0.684 19510 10179 1 20 . 1 1 28 28 ARG CA C 28 55.369 55.369 55.221 0.148 19510 10180 1 20 . 1 1 28 28 ARG CB C 28 28.480 28.480 29.570 -1.091 19510 10181 1 20 . 1 1 28 28 ARG H H 28 8.101 8.101 8.331 -0.230 19510 10182 1 20 . 1 1 29 29 ARG N N 29 122.734 122.734 120.598 2.136 19510 10183 1 20 . 1 1 29 29 ARG HA H 29 3.743 3.743 3.986 -0.243 19510 10184 1 20 . 1 1 29 29 ARG CA C 29 58.672 58.672 59.258 -0.586 19510 10185 1 20 . 1 1 29 29 ARG CB C 29 29.051 29.051 29.466 -0.415 19510 10186 1 20 . 1 1 29 29 ARG H H 29 8.901 8.901 8.505 0.396 19510 10187 1 20 . 1 1 30 30 ASN N N 30 119.961 119.961 113.823 6.138 19510 10188 1 20 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.678 -0.044 19510 10189 1 20 . 1 1 30 30 ASN C C 30 175.888 175.888 176.330 -0.442 19510 10190 1 20 . 1 1 30 30 ASN CA C 30 55.147 55.147 54.118 1.028 19510 10191 1 20 . 1 1 30 30 ASN CB C 30 35.418 35.418 38.723 -3.305 19510 10192 1 20 . 1 1 30 30 ASN H H 30 8.429 8.429 8.187 0.242 19510 10193 1 20 . 1 1 31 31 ARG N N 31 123.400 123.400 121.535 1.865 19510 10194 1 20 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.237 0.045 19510 10195 1 20 . 1 1 31 31 ARG C C 31 177.804 177.804 178.814 -1.010 19510 10196 1 20 . 1 1 31 31 ARG CA C 31 58.132 58.132 59.230 -1.097 19510 10197 1 20 . 1 1 31 31 ARG CB C 31 27.636 27.636 30.287 -2.651 19510 10198 1 20 . 1 1 31 31 ARG H H 31 8.052 8.052 7.761 0.291 19510 10199 1 20 . 1 1 32 32 LEU N N 32 119.872 119.872 116.633 3.239 19510 10200 1 20 . 1 1 32 32 LEU HA H 32 4.318 4.318 4.310 0.008 19510 10201 1 20 . 1 1 32 32 LEU C C 32 180.602 180.602 178.298 2.304 19510 10202 1 20 . 1 1 32 32 LEU CA C 32 56.471 56.471 57.096 -0.625 19510 10203 1 20 . 1 1 32 32 LEU CB C 32 40.558 40.558 41.503 -0.945 19510 10204 1 20 . 1 1 32 32 LEU H H 32 8.752 8.752 7.644 1.108 19510 10205 1 20 . 1 1 33 33 LEU N N 33 124.468 124.468 119.854 4.614 19510 10206 1 20 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.193 0.108 19510 10207 1 20 . 1 1 33 33 LEU C C 33 177.992 177.992 178.927 -0.935 19510 10208 1 20 . 1 1 33 33 LEU CA C 33 56.482 56.482 57.201 -0.719 19510 10209 1 20 . 1 1 33 33 LEU CB C 33 41.626 41.626 41.408 0.218 19510 10210 1 20 . 1 1 33 33 LEU H H 33 9.273 9.273 7.396 1.877 19510 10211 1 20 . 1 1 34 34 GLY N N 34 109.045 109.045 106.317 2.728 19510 10212 1 20 . 1 1 34 34 GLY C C 34 174.530 174.530 175.559 -1.029 19510 10213 1 20 . 1 1 34 34 GLY CA C 34 45.447 45.447 47.274 -1.827 19510 10214 1 20 . 1 1 34 34 GLY H H 34 8.907 8.907 8.287 0.620 19510 10215 1 20 . 1 1 35 35 GLU N N 35 123.414 123.414 121.139 2.275 19510 10216 1 20 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.138 0.038 19510 10217 1 20 . 1 1 35 35 GLU C C 35 178.866 178.866 178.629 0.237 19510 10218 1 20 . 1 1 35 35 GLU CA C 35 59.564 59.564 58.661 0.903 19510 10219 1 20 . 1 1 35 35 GLU CB C 35 27.692 27.692 29.593 -1.901 19510 10220 1 20 . 1 1 35 35 GLU H H 35 8.935 8.935 7.905 1.030 19510 10221 1 20 . 1 1 36 36 TRP N N 36 124.774 124.774 122.559 2.215 19510 10222 1 20 . 1 1 36 36 TRP HA H 36 4.604 4.604 4.380 0.224 19510 10223 1 20 . 1 1 36 36 TRP C C 36 177.618 177.618 177.451 0.167 19510 10224 1 20 . 1 1 36 36 TRP CA C 36 58.867 58.867 60.359 -1.492 19510 10225 1 20 . 1 1 36 36 TRP CB C 36 26.021 26.021 29.507 -3.486 19510 10226 1 20 . 1 1 36 36 TRP H H 36 8.531 8.531 7.432 1.099 19510 10227 1 20 . 1 1 37 37 ALA N N 37 123.777 123.777 120.340 3.437 19510 10228 1 20 . 1 1 37 37 ALA HA H 37 3.403 3.403 3.405 -0.002 19510 10229 1 20 . 1 1 37 37 ALA C C 37 177.427 177.427 179.517 -2.090 19510 10230 1 20 . 1 1 37 37 ALA CA C 37 53.148 53.148 54.709 -1.561 19510 10231 1 20 . 1 1 37 37 ALA CB C 37 18.440 18.440 17.901 0.538 19510 10232 1 20 . 1 1 37 37 ALA H H 37 9.141 9.141 8.116 1.025 19510 10233 1 20 . 1 1 38 38 ALA N N 38 119.259 119.259 121.056 -1.797 19510 10234 1 20 . 1 1 38 38 ALA HA H 38 3.523 3.523 3.897 -0.374 19510 10235 1 20 . 1 1 38 38 ALA C C 38 178.670 178.670 179.374 -0.704 19510 10236 1 20 . 1 1 38 38 ALA CA C 38 53.882 53.882 55.534 -1.652 19510 10237 1 20 . 1 1 38 38 ALA CB C 38 17.083 17.083 18.227 -1.144 19510 10238 1 20 . 1 1 38 38 ALA H H 38 8.788 8.788 8.711 0.077 19510 10239 1 20 . 1 1 39 39 GLY N N 39 104.011 104.011 103.821 0.190 19510 10240 1 20 . 1 1 39 39 GLY C C 39 177.232 177.232 175.459 1.773 19510 10241 1 20 . 1 1 39 39 GLY CA C 39 45.519 45.519 46.000 -0.481 19510 10242 1 20 . 1 1 39 39 GLY H H 39 7.756 7.756 7.980 -0.224 19510 10243 1 20 . 1 1 40 40 LEU N N 40 125.340 125.340 119.887 5.453 19510 10244 1 20 . 1 1 40 40 LEU HA H 40 4.111 4.111 4.348 -0.237 19510 10245 1 20 . 1 1 40 40 LEU C C 40 178.203 178.203 178.294 -0.091 19510 10246 1 20 . 1 1 40 40 LEU CA C 40 56.123 56.123 55.880 0.243 19510 10247 1 20 . 1 1 40 40 LEU CB C 40 40.764 40.764 42.444 -1.680 19510 10248 1 20 . 1 1 40 40 LEU H H 40 7.511 7.511 7.457 0.054 19510 10249 1 20 . 1 1 41 41 LEU N N 41 117.234 117.234 118.597 -1.363 19510 10250 1 20 . 1 1 41 41 LEU HA H 41 4.139 4.139 4.022 0.117 19510 10251 1 20 . 1 1 41 41 LEU C C 41 176.119 176.119 177.656 -1.537 19510 10252 1 20 . 1 1 41 41 LEU CA C 41 53.213 53.213 56.796 -3.583 19510 10253 1 20 . 1 1 41 41 LEU CB C 41 41.092 41.092 41.989 -0.897 19510 10254 1 20 . 1 1 41 41 LEU H H 41 7.692 7.692 8.380 -0.688 19510 10255 1 20 . 1 1 42 42 GLY N N 42 109.595 109.595 105.837 3.758 19510 10256 1 20 . 1 1 42 42 GLY C C 42 173.775 173.775 174.203 -0.428 19510 10257 1 20 . 1 1 42 42 GLY CA C 42 44.409 44.409 45.044 -0.635 19510 10258 1 20 . 1 1 42 42 GLY H H 42 7.896 7.896 7.423 0.473 19510 10259 1 20 . 1 1 43 43 LYS N N 43 119.965 119.965 120.172 -0.207 19510 10260 1 20 . 1 1 43 43 LYS HA H 43 4.737 4.737 4.799 -0.062 19510 10261 1 20 . 1 1 43 43 LYS C C 43 175.246 175.246 174.989 0.257 19510 10262 1 20 . 1 1 43 43 LYS CA C 43 54.189 54.189 54.577 -0.388 19510 10263 1 20 . 1 1 43 43 LYS CB C 43 33.208 33.208 35.096 -1.888 19510 10264 1 20 . 1 1 43 43 LYS H H 43 8.104 8.104 7.954 0.150 19510 10265 1 20 . 1 1 44 44 THR N N 44 114.199 114.199 112.515 1.684 19510 10266 1 20 . 1 1 44 44 THR HA H 44 4.773 4.773 4.548 0.225 19510 10267 1 20 . 1 1 44 44 THR C C 44 174.392 174.392 175.592 -1.200 19510 10268 1 20 . 1 1 44 44 THR CA C 44 58.348 58.348 60.687 -2.339 19510 10269 1 20 . 1 1 44 44 THR CB C 44 70.921 70.921 71.555 -0.634 19510 10270 1 20 . 1 1 44 44 THR H H 44 8.958 8.958 8.200 0.758 19510 10271 1 20 . 1 1 45 45 GLY N N 45 109.657 109.657 110.277 -0.620 19510 10272 1 20 . 1 1 45 45 GLY C C 45 175.330 175.330 175.113 0.217 19510 10273 1 20 . 1 1 45 45 GLY CA C 45 45.315 45.315 45.740 -0.425 19510 10274 1 20 . 1 1 45 45 GLY H H 45 8.885 8.885 8.494 0.391 19510 10275 1 20 . 1 1 46 46 ASP N N 46 128.403 128.403 121.732 6.671 19510 10276 1 20 . 1 1 46 46 ASP HA H 46 4.561 4.561 4.337 0.224 19510 10277 1 20 . 1 1 46 46 ASP C C 46 177.343 177.343 177.887 -0.544 19510 10278 1 20 . 1 1 46 46 ASP CA C 46 55.829 55.829 57.090 -1.261 19510 10279 1 20 . 1 1 46 46 ASP CB C 46 39.039 39.039 40.930 -1.891 19510 10280 1 20 . 1 1 46 46 ASP H H 46 9.318 9.318 8.561 0.757 19510 10281 1 20 . 1 1 47 47 ASP N N 47 121.367 121.367 119.565 1.802 19510 10282 1 20 . 1 1 47 47 ASP HA H 47 4.668 4.668 4.349 0.319 19510 10283 1 20 . 1 1 47 47 ASP CA C 47 55.545 55.545 57.567 -2.022 19510 10284 1 20 . 1 1 47 47 ASP CB C 47 39.415 39.415 40.875 -1.460 19510 10285 1 20 . 1 1 47 47 ASP H H 47 8.521 8.521 7.977 0.544 19510 10286 1 20 . 1 1 48 48 ALA N N 48 123.210 123.210 122.226 0.984 19510 10287 1 20 . 1 1 48 48 ALA HA H 48 3.940 3.940 4.005 -0.065 19510 10288 1 20 . 1 1 48 48 ALA CA C 48 53.331 53.331 55.254 -1.923 19510 10289 1 20 . 1 1 48 48 ALA CB C 48 16.036 16.036 18.663 -2.627 19510 10290 1 20 . 1 1 48 48 ALA H H 48 7.262 7.262 7.376 -0.114 19510 10291 1 20 . 1 1 49 49 ARG N N 49 120.088 120.088 119.348 0.740 19510 10292 1 20 . 1 1 49 49 ARG HA H 49 4.126 4.126 3.893 0.233 19510 10293 1 20 . 1 1 49 49 ARG CA C 49 57.876 57.876 59.438 -1.562 19510 10294 1 20 . 1 1 49 49 ARG CB C 49 28.774 28.774 30.342 -1.568 19510 10295 1 20 . 1 1 49 49 ARG H H 49 7.805 7.805 8.019 -0.214 19510 10296 1 20 . 1 1 50 50 ALA N N 50 121.061 121.061 120.429 0.632 19510 10297 1 20 . 1 1 50 50 ALA HA H 50 4.218 4.218 4.077 0.141 19510 10298 1 20 . 1 1 50 50 ALA CA C 50 53.399 53.399 54.854 -1.455 19510 10299 1 20 . 1 1 50 50 ALA CB C 50 16.672 16.672 18.182 -1.510 19510 10300 1 20 . 1 1 50 50 ALA H H 50 8.387 8.387 8.356 0.031 19510 10301 1 20 . 1 1 51 51 TYR N N 51 119.264 119.264 121.691 -2.427 19510 10302 1 20 . 1 1 51 51 TYR HA H 51 4.231 4.231 4.222 0.009 19510 10303 1 20 . 1 1 51 51 TYR C C 51 178.335 178.335 177.889 0.446 19510 10304 1 20 . 1 1 51 51 TYR CA C 51 60.493 60.493 60.585 -0.092 19510 10305 1 20 . 1 1 51 51 TYR CB C 51 37.094 37.094 38.531 -1.437 19510 10306 1 20 . 1 1 51 51 TYR H H 51 8.095 8.095 8.046 0.049 19510 10307 1 20 . 1 1 52 52 ALA N N 52 124.002 124.002 120.259 3.743 19510 10308 1 20 . 1 1 52 52 ALA HA H 52 3.899 3.899 3.981 -0.082 19510 10309 1 20 . 1 1 52 52 ALA C C 52 178.352 178.352 178.453 -0.101 19510 10310 1 20 . 1 1 52 52 ALA CA C 52 54.394 54.394 53.926 0.468 19510 10311 1 20 . 1 1 52 52 ALA CB C 52 16.369 16.369 18.217 -1.848 19510 10312 1 20 . 1 1 52 52 ALA H H 52 8.651 8.651 8.266 0.385 19510 10313 1 20 . 1 1 53 53 LEU N N 53 116.593 116.593 117.616 -1.023 19510 10314 1 20 . 1 1 53 53 LEU HA H 53 4.301 4.301 4.136 0.165 19510 10315 1 20 . 1 1 53 53 LEU C C 53 177.452 177.452 178.617 -1.165 19510 10316 1 20 . 1 1 53 53 LEU CA C 53 55.412 55.412 56.772 -1.360 19510 10317 1 20 . 1 1 53 53 LEU CB C 53 40.510 40.510 41.759 -1.249 19510 10318 1 20 . 1 1 53 53 LEU H H 53 7.664 7.664 7.450 0.214 19510 10319 1 20 . 1 1 54 54 THR N N 54 110.998 110.998 110.107 0.891 19510 10320 1 20 . 1 1 54 54 THR HA H 54 4.401 4.401 4.205 0.196 19510 10321 1 20 . 1 1 54 54 THR CA C 54 61.997 61.997 63.422 -1.425 19510 10322 1 20 . 1 1 54 54 THR CB C 54 67.988 67.988 69.626 -1.637 19510 10323 1 20 . 1 1 54 54 THR H H 54 7.962 7.962 7.639 0.323 19510 10324 1 20 . 1 1 55 55 VAL N N 55 123.907 123.907 125.399 -1.492 19510 10325 1 20 . 1 1 55 55 VAL HA H 55 3.869 3.869 3.761 0.108 19510 10326 1 20 . 1 1 55 55 VAL CA C 55 62.373 62.373 63.414 -1.041 19510 10327 1 20 . 1 1 55 55 VAL CB C 55 29.037 29.037 29.813 -0.776 19510 10328 1 20 . 1 1 55 55 VAL H H 55 7.217 7.217 7.165 0.052 19510 10329 1 20 . 1 1 56 56 VAL N N 56 119.176 119.176 127.261 -8.085 19510 10330 1 20 . 1 1 56 56 VAL HA H 56 4.300 4.300 4.668 -0.368 19510 10331 1 20 . 1 1 56 56 VAL CA C 56 55.363 55.363 61.318 -5.955 19510 10332 1 20 . 1 1 56 56 VAL CB C 56 32.466 32.466 35.124 -2.658 19510 10333 1 20 . 1 1 56 56 VAL H H 56 7.474 7.474 7.863 -0.389 19510 10334 1 20 . 1 1 57 57 THR N N 57 114.951 114.951 116.746 -1.795 19510 10335 1 20 . 1 1 57 57 THR HA H 57 4.509 4.509 4.686 -0.177 19510 10336 1 20 . 1 1 57 57 THR CA C 57 60.698 60.698 60.610 0.088 19510 10337 1 20 . 1 1 57 57 THR CB C 57 68.177 68.177 71.224 -3.047 19510 10338 1 20 . 1 1 57 57 THR H H 57 7.992 7.992 8.228 -0.236 19510 10339 1 20 . 1 1 58 58 SER N N 58 119.820 119.820 116.776 3.044 19510 10340 1 20 . 1 1 58 58 SER HA H 58 4.554 4.554 4.761 -0.207 19510 10341 1 20 . 1 1 58 58 SER CA C 58 57.409 57.409 58.929 -1.520 19510 10342 1 20 . 1 1 58 58 SER CB C 58 62.399 62.399 64.447 -2.048 19510 10343 1 20 . 1 1 58 58 SER H H 58 8.473 8.473 8.487 -0.014 19510 10344 1 20 . 1 1 59 59 ASP N N 59 122.199 122.199 125.855 -3.656 19510 10345 1 20 . 1 1 59 59 ASP HA H 59 4.762 4.762 4.858 -0.096 19510 10346 1 20 . 1 1 59 59 ASP C C 59 175.459 175.459 174.647 0.812 19510 10347 1 20 . 1 1 59 59 ASP CA C 59 52.469 52.469 54.778 -2.309 19510 10348 1 20 . 1 1 59 59 ASP CB C 59 39.455 39.455 41.713 -2.258 19510 10349 1 20 . 1 1 59 59 ASP H H 59 8.285 8.285 8.700 -0.415 19510 10350 1 20 . 1 1 60 60 PHE HA H 60 4.182 4.182 4.843 -0.661 19510 10351 1 20 . 1 1 60 60 PHE CA C 60 59.253 59.253 57.561 1.692 19510 10352 1 20 . 1 1 60 60 PHE CB C 60 35.163 35.163 40.567 -5.404 19510 10353 1 20 . 1 1 63 63 PRO HA H 63 4.606 4.606 4.510 0.096 19510 10354 1 20 . 1 1 63 63 PRO CA C 63 55.716 55.716 62.908 -7.192 19510 10355 1 20 . 1 1 63 63 PRO CB C 63 30.732 30.732 31.296 -0.564 19510 10356 1 20 . 1 1 64 64 GLY N N 64 110.382 110.382 112.988 -2.606 19510 10357 1 20 . 1 1 64 64 GLY CA C 64 44.280 44.280 44.132 0.148 19510 10358 1 20 . 1 1 64 64 GLY H H 64 8.706 8.706 8.022 0.684 19510 10359 1 20 . 1 1 65 65 ASP N N 65 121.977 121.977 119.416 2.561 19510 10360 1 20 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.480 0.183 19510 10361 1 20 . 1 1 65 65 ASP CA C 65 55.765 55.765 54.567 1.198 19510 10362 1 20 . 1 1 65 65 ASP CB C 65 39.579 39.579 41.726 -2.147 19510 10363 1 20 . 1 1 65 65 ASP H H 65 8.661 8.661 8.554 0.107 19510 10364 1 20 . 1 1 66 66 GLU N N 66 120.065 120.065 121.441 -1.376 19510 10365 1 20 . 1 1 66 66 GLU HA H 66 4.437 4.437 4.434 0.003 19510 10366 1 20 . 1 1 66 66 GLU CA C 66 57.520 57.520 56.176 1.343 19510 10367 1 20 . 1 1 66 66 GLU CB C 66 27.598 27.598 30.719 -3.121 19510 10368 1 20 . 1 1 66 66 GLU H H 66 8.643 8.643 8.112 0.531 19510 10369 1 20 . 1 1 67 67 ASP N N 67 120.033 120.033 123.611 -3.578 19510 10370 1 20 . 1 1 67 67 ASP HA H 67 4.609 4.609 4.781 -0.172 19510 10371 1 20 . 1 1 67 67 ASP CA C 67 55.601 55.601 56.093 -0.492 19510 10372 1 20 . 1 1 67 67 ASP CB C 67 39.106 39.106 42.177 -3.071 19510 10373 1 20 . 1 1 67 67 ASP H H 67 8.272 8.272 8.600 -0.328 19510 10374 1 20 . 1 1 68 68 VAL N N 68 123.206 123.206 120.199 3.007 19510 10375 1 20 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.943 -0.126 19510 10376 1 20 . 1 1 68 68 VAL CA C 68 65.715 65.715 64.891 0.824 19510 10377 1 20 . 1 1 68 68 VAL CB C 68 30.705 30.705 32.238 -1.533 19510 10378 1 20 . 1 1 68 68 VAL H H 68 8.045 8.045 8.027 0.018 19510 10379 1 20 . 1 1 69 69 PHE N N 69 120.600 120.600 119.839 0.761 19510 10380 1 20 . 1 1 69 69 PHE HA H 69 4.158 4.158 4.247 -0.089 19510 10381 1 20 . 1 1 69 69 PHE CA C 69 61.013 61.013 61.278 -0.265 19510 10382 1 20 . 1 1 69 69 PHE CB C 69 37.455 37.455 38.705 -1.250 19510 10383 1 20 . 1 1 69 69 PHE H H 69 8.488 8.488 8.442 0.046 19510 10384 1 20 . 1 1 70 70 ARG N N 70 117.820 117.820 120.079 -2.259 19510 10385 1 20 . 1 1 70 70 ARG HA H 70 3.755 3.755 3.997 -0.242 19510 10386 1 20 . 1 1 70 70 ARG C C 70 178.813 178.813 178.611 0.202 19510 10387 1 20 . 1 1 70 70 ARG CA C 70 58.184 58.184 59.196 -1.012 19510 10388 1 20 . 1 1 70 70 ARG CB C 70 28.899 28.899 29.528 -0.629 19510 10389 1 20 . 1 1 70 70 ARG H H 70 8.611 8.611 8.578 0.033 19510 10390 1 20 . 1 1 71 71 LYS N N 71 121.726 121.726 119.088 2.638 19510 10391 1 20 . 1 1 71 71 LYS HA H 71 4.253 4.253 4.107 0.146 19510 10392 1 20 . 1 1 71 71 LYS C C 71 177.020 177.020 179.216 -2.196 19510 10393 1 20 . 1 1 71 71 LYS CA C 71 58.490 58.490 58.868 -0.378 19510 10394 1 20 . 1 1 71 71 LYS CB C 71 31.216 31.216 31.980 -0.764 19510 10395 1 20 . 1 1 71 71 LYS H H 71 7.686 7.686 7.618 0.068 19510 10396 1 20 . 1 1 72 72 LEU N N 72 119.355 119.355 120.594 -1.239 19510 10397 1 20 . 1 1 72 72 LEU HA H 72 4.051 4.051 4.046 0.005 19510 10398 1 20 . 1 1 72 72 LEU C C 72 177.378 177.378 178.328 -0.950 19510 10399 1 20 . 1 1 72 72 LEU CA C 72 56.317 56.317 57.756 -1.439 19510 10400 1 20 . 1 1 72 72 LEU CB C 72 41.148 41.148 42.041 -0.893 19510 10401 1 20 . 1 1 72 72 LEU H H 72 8.215 8.215 8.297 -0.082 19510 10402 1 20 . 1 1 73 73 ALA N N 73 121.106 121.106 119.091 2.015 19510 10403 1 20 . 1 1 73 73 ALA HA H 73 3.767 3.767 3.861 -0.094 19510 10404 1 20 . 1 1 73 73 ALA C C 73 179.644 179.644 178.344 1.300 19510 10405 1 20 . 1 1 73 73 ALA CA C 73 53.263 53.263 54.054 -0.791 19510 10406 1 20 . 1 1 73 73 ALA CB C 73 15.930 15.930 17.745 -1.815 19510 10407 1 20 . 1 1 73 73 ALA H H 73 9.143 9.143 8.221 0.922 19510 10408 1 20 . 1 1 74 74 ALA N N 74 119.383 119.383 121.004 -1.621 19510 10409 1 20 . 1 1 74 74 ALA HA H 74 4.384 4.384 4.049 0.335 19510 10410 1 20 . 1 1 74 74 ALA C C 74 179.752 179.752 179.898 -0.146 19510 10411 1 20 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.603 -1.079 19510 10412 1 20 . 1 1 74 74 ALA CB C 74 17.094 17.094 18.275 -1.181 19510 10413 1 20 . 1 1 74 74 ALA H H 74 7.403 7.403 7.280 0.123 19510 10414 1 20 . 1 1 75 75 ASP N N 75 120.226 120.226 119.311 0.915 19510 10415 1 20 . 1 1 75 75 ASP HA H 75 4.523 4.523 4.423 0.100 19510 10416 1 20 . 1 1 75 75 ASP C C 75 177.704 177.704 176.884 0.820 19510 10417 1 20 . 1 1 75 75 ASP CA C 75 55.312 55.312 57.093 -1.781 19510 10418 1 20 . 1 1 75 75 ASP CB C 75 38.326 38.326 41.184 -2.858 19510 10419 1 20 . 1 1 75 75 ASP H H 75 8.536 8.536 8.075 0.461 19510 10420 1 20 . 1 1 76 76 LEU N N 76 115.468 115.468 117.100 -1.632 19510 10421 1 20 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.495 -0.103 19510 10422 1 20 . 1 1 76 76 LEU C C 76 174.790 174.790 175.558 -0.768 19510 10423 1 20 . 1 1 76 76 LEU CA C 76 52.624 52.624 52.990 -0.366 19510 10424 1 20 . 1 1 76 76 LEU CB C 76 39.594 39.594 41.652 -2.058 19510 10425 1 20 . 1 1 76 76 LEU H H 76 8.612 8.612 7.578 1.034 19510 10426 1 20 . 1 1 77 77 GLU N N 77 124.725 124.725 122.278 2.447 19510 10427 1 20 . 1 1 77 77 GLU HA H 77 4.343 4.343 3.985 0.358 19510 10428 1 20 . 1 1 77 77 GLU C C 77 176.953 176.953 177.051 -0.098 19510 10429 1 20 . 1 1 77 77 GLU CA C 77 57.345 57.345 58.385 -1.040 19510 10430 1 20 . 1 1 77 77 GLU CB C 77 27.555 27.555 29.395 -1.841 19510 10431 1 20 . 1 1 77 77 GLU H H 77 7.158 7.158 7.397 -0.239 19510 10432 1 20 . 1 1 78 78 GLY N N 78 118.105 118.105 113.423 4.682 19510 10433 1 20 . 1 1 78 78 GLY C C 78 173.075 173.075 174.814 -1.739 19510 10434 1 20 . 1 1 78 78 GLY CA C 78 44.269 44.269 45.419 -1.150 19510 10435 1 20 . 1 1 78 78 GLY H H 78 9.392 9.392 8.529 0.863 19510 10436 1 20 . 1 1 79 79 LYS N N 79 120.237 120.237 119.667 0.570 19510 10437 1 20 . 1 1 79 79 LYS HA H 79 4.663 4.663 4.565 0.098 19510 10438 1 20 . 1 1 79 79 LYS C C 79 175.050 175.050 174.814 0.236 19510 10439 1 20 . 1 1 79 79 LYS CA C 79 54.683 54.683 55.644 -0.961 19510 10440 1 20 . 1 1 79 79 LYS CB C 79 33.435 33.435 33.838 -0.403 19510 10441 1 20 . 1 1 79 79 LYS H H 79 8.809 8.809 8.216 0.593 19510 10442 1 20 . 1 1 80 80 ALA N N 80 121.135 121.135 120.555 0.580 19510 10443 1 20 . 1 1 80 80 ALA HA H 80 4.893 4.893 4.640 0.253 19510 10444 1 20 . 1 1 80 80 ALA C C 80 174.051 174.051 174.466 -0.415 19510 10445 1 20 . 1 1 80 80 ALA CA C 80 50.289 50.289 51.780 -1.491 19510 10446 1 20 . 1 1 80 80 ALA CB C 80 20.483 20.483 21.495 -1.012 19510 10447 1 20 . 1 1 80 80 ALA H H 80 8.169 8.169 7.493 0.676 19510 10448 1 20 . 1 1 81 81 ASP N N 81 121.569 121.569 118.693 2.876 19510 10449 1 20 . 1 1 81 81 ASP HA H 81 4.898 4.898 5.063 -0.165 19510 10450 1 20 . 1 1 81 81 ASP CA C 81 50.397 50.397 53.376 -2.978 19510 10451 1 20 . 1 1 81 81 ASP CB C 81 40.401 40.401 43.747 -3.346 19510 10452 1 20 . 1 1 81 81 ASP H H 81 8.330 8.330 8.363 -0.033 19510 10453 1 20 . 1 1 82 82 GLU N N 82 119.843 119.843 120.927 -1.084 19510 10454 1 20 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.243 -0.058 19510 10455 1 20 . 1 1 82 82 GLU C C 82 177.350 177.350 178.613 -1.263 19510 10456 1 20 . 1 1 82 82 GLU CA C 82 59.676 59.676 60.376 -0.700 19510 10457 1 20 . 1 1 82 82 GLU CB C 82 27.893 27.893 29.814 -1.921 19510 10458 1 20 . 1 1 82 82 GLU H H 82 8.923 8.923 8.781 0.142 19510 10459 1 20 . 1 1 83 83 GLU N N 83 119.348 119.348 115.924 3.424 19510 10460 1 20 . 1 1 83 83 GLU HA H 83 4.177 4.177 4.202 -0.025 19510 10461 1 20 . 1 1 83 83 GLU C C 83 178.794 178.794 178.509 0.285 19510 10462 1 20 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.484 0.598 19510 10463 1 20 . 1 1 83 83 GLU CB C 83 28.879 28.879 29.280 -0.401 19510 10464 1 20 . 1 1 83 83 GLU H H 83 8.832 8.832 8.840 -0.008 19510 10465 1 20 . 1 1 84 84 THR N N 84 119.892 119.892 117.153 2.739 19510 10466 1 20 . 1 1 84 84 THR HA H 84 4.140 4.140 4.105 0.035 19510 10467 1 20 . 1 1 84 84 THR C C 84 176.165 176.165 175.990 0.175 19510 10468 1 20 . 1 1 84 84 THR CA C 84 65.721 65.721 66.504 -0.783 19510 10469 1 20 . 1 1 84 84 THR CB C 84 66.751 66.751 68.941 -2.190 19510 10470 1 20 . 1 1 84 84 THR H H 84 8.576 8.576 7.559 1.017 19510 10471 1 20 . 1 1 85 85 ILE N N 85 123.655 123.655 122.033 1.622 19510 10472 1 20 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.720 0.099 19510 10473 1 20 . 1 1 85 85 ILE C C 85 174.809 174.809 177.408 -2.599 19510 10474 1 20 . 1 1 85 85 ILE CA C 85 64.891 64.891 65.522 -0.631 19510 10475 1 20 . 1 1 85 85 ILE CB C 85 37.797 37.797 38.192 -0.395 19510 10476 1 20 . 1 1 85 85 ILE H H 85 8.572 8.572 8.248 0.324 19510 10477 1 20 . 1 1 86 86 ARG N N 86 119.670 119.670 118.939 0.731 19510 10478 1 20 . 1 1 86 86 ARG HA H 86 4.186 4.186 3.283 0.903 19510 10479 1 20 . 1 1 86 86 ARG CA C 86 58.766 58.766 58.605 0.161 19510 10480 1 20 . 1 1 86 86 ARG CB C 86 28.165 28.165 29.057 -0.892 19510 10481 1 20 . 1 1 86 86 ARG H H 86 9.092 9.092 8.519 0.573 19510 10482 1 20 . 1 1 87 87 ALA N N 87 121.431 121.431 121.923 -0.492 19510 10483 1 20 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.173 0.134 19510 10484 1 20 . 1 1 87 87 ALA CA C 87 53.558 53.558 54.123 -0.565 19510 10485 1 20 . 1 1 87 87 ALA CB C 87 16.382 16.382 18.531 -2.149 19510 10486 1 20 . 1 1 87 87 ALA H H 87 8.242 8.242 7.267 0.975 19510 10487 1 20 . 1 1 88 88 LYS N N 88 122.742 122.742 119.767 2.975 19510 10488 1 20 . 1 1 88 88 LYS HA H 88 4.011 4.011 4.050 -0.039 19510 10489 1 20 . 1 1 88 88 LYS CA C 88 55.172 55.172 58.896 -3.724 19510 10490 1 20 . 1 1 88 88 LYS CB C 88 29.078 29.078 31.605 -2.527 19510 10491 1 20 . 1 1 88 88 LYS H H 88 8.182 8.182 7.724 0.458 19510 10492 1 20 . 1 1 89 89 MET N N 89 118.686 118.686 116.858 1.828 19510 10493 1 20 . 1 1 89 89 MET HA H 89 3.854 3.854 4.051 -0.197 19510 10494 1 20 . 1 1 89 89 MET CA C 89 59.175 59.175 58.952 0.223 19510 10495 1 20 . 1 1 89 89 MET CB C 89 31.697 31.697 32.356 -0.659 19510 10496 1 20 . 1 1 89 89 MET H H 89 8.504 8.504 7.238 1.266 19510 10497 1 20 . 1 1 90 90 VAL N N 90 120.987 120.987 116.797 4.190 19510 10498 1 20 . 1 1 90 90 VAL HA H 90 3.853 3.853 3.738 0.115 19510 10499 1 20 . 1 1 90 90 VAL C C 90 178.017 178.017 178.837 -0.820 19510 10500 1 20 . 1 1 90 90 VAL CA C 90 64.868 64.868 64.942 -0.074 19510 10501 1 20 . 1 1 90 90 VAL CB C 90 31.054 31.054 31.037 0.017 19510 10502 1 20 . 1 1 90 90 VAL H H 90 7.573 7.573 7.542 0.031 19510 10503 1 20 . 1 1 91 91 GLU N N 91 124.236 124.236 121.090 3.146 19510 10504 1 20 . 1 1 91 91 GLU HA H 91 3.802 3.802 3.952 -0.150 19510 10505 1 20 . 1 1 91 91 GLU C C 91 177.612 177.612 179.145 -1.533 19510 10506 1 20 . 1 1 91 91 GLU CA C 91 58.414 58.414 59.455 -1.041 19510 10507 1 20 . 1 1 91 91 GLU CB C 91 30.606 30.606 29.397 1.209 19510 10508 1 20 . 1 1 91 91 GLU H H 91 8.494 8.494 7.653 0.841 19510 10509 1 20 . 1 1 92 92 LEU N N 92 114.818 114.818 116.871 -2.053 19510 10510 1 20 . 1 1 92 92 LEU HA H 92 4.336 4.336 4.241 0.095 19510 10511 1 20 . 1 1 92 92 LEU C C 92 177.928 177.928 178.169 -0.241 19510 10512 1 20 . 1 1 92 92 LEU CA C 92 56.351 56.351 55.549 0.802 19510 10513 1 20 . 1 1 92 92 LEU CB C 92 39.780 39.780 41.130 -1.350 19510 10514 1 20 . 1 1 92 92 LEU H H 92 8.833 8.833 7.469 1.364 19510 10515 1 20 . 1 1 93 93 ARG N N 93 123.398 123.398 121.034 2.364 19510 10516 1 20 . 1 1 93 93 ARG HA H 93 3.997 3.997 3.859 0.138 19510 10517 1 20 . 1 1 93 93 ARG C C 93 176.350 176.350 177.973 -1.623 19510 10518 1 20 . 1 1 93 93 ARG CA C 93 58.848 58.848 59.878 -1.030 19510 10519 1 20 . 1 1 93 93 ARG CB C 93 28.592 28.592 30.018 -1.426 19510 10520 1 20 . 1 1 93 93 ARG H H 93 7.746 7.746 7.470 0.276 19510 10521 1 20 . 1 1 94 94 ALA N N 94 122.480 122.480 119.218 3.262 19510 10522 1 20 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.131 0.130 19510 10523 1 20 . 1 1 94 94 ALA C C 94 179.805 179.805 179.543 0.262 19510 10524 1 20 . 1 1 94 94 ALA CA C 94 54.529 54.529 54.888 -0.359 19510 10525 1 20 . 1 1 94 94 ALA CB C 94 16.423 16.423 18.152 -1.729 19510 10526 1 20 . 1 1 94 94 ALA H H 94 7.322 7.322 7.833 -0.511 19510 10527 1 20 . 1 1 95 95 THR N N 95 116.936 116.936 115.847 1.089 19510 10528 1 20 . 1 1 95 95 THR HA H 95 4.045 4.045 3.803 0.242 19510 10529 1 20 . 1 1 95 95 THR C C 95 175.007 175.007 176.460 -1.453 19510 10530 1 20 . 1 1 95 95 THR CA C 95 64.868 64.868 67.111 -2.243 19510 10531 1 20 . 1 1 95 95 THR CB C 95 67.633 67.633 68.385 -0.752 19510 10532 1 20 . 1 1 95 95 THR H H 95 8.275 8.275 7.962 0.313 19510 10533 1 20 . 1 1 96 96 ALA N N 96 123.969 123.969 123.037 0.932 19510 10534 1 20 . 1 1 96 96 ALA HA H 96 3.904 3.904 4.060 -0.156 19510 10535 1 20 . 1 1 96 96 ALA C C 96 178.184 178.184 179.907 -1.723 19510 10536 1 20 . 1 1 96 96 ALA CA C 96 54.098 54.098 54.782 -0.685 19510 10537 1 20 . 1 1 96 96 ALA CB C 96 18.118 18.118 18.359 -0.241 19510 10538 1 20 . 1 1 96 96 ALA H H 96 8.688 8.688 8.483 0.205 19510 10539 1 20 . 1 1 97 97 ARG N N 97 117.393 117.393 117.964 -0.571 19510 10540 1 20 . 1 1 97 97 ARG HA H 97 3.857 3.857 4.160 -0.303 19510 10541 1 20 . 1 1 97 97 ARG C C 97 176.770 176.770 178.794 -2.024 19510 10542 1 20 . 1 1 97 97 ARG CA C 97 58.669 58.669 59.182 -0.513 19510 10543 1 20 . 1 1 97 97 ARG CB C 97 28.932 28.932 30.200 -1.268 19510 10544 1 20 . 1 1 97 97 ARG H H 97 8.073 8.073 7.791 0.282 19510 10545 1 20 . 1 1 98 98 GLU N N 98 118.029 118.029 120.272 -2.243 19510 10546 1 20 . 1 1 98 98 GLU HA H 98 4.180 4.180 4.000 0.180 19510 10547 1 20 . 1 1 98 98 GLU C C 98 178.865 178.865 179.157 -0.292 19510 10548 1 20 . 1 1 98 98 GLU CA C 98 57.867 57.867 59.060 -1.193 19510 10549 1 20 . 1 1 98 98 GLU CB C 98 27.704 27.704 29.432 -1.728 19510 10550 1 20 . 1 1 98 98 GLU H H 98 7.896 7.896 7.862 0.034 19510 10551 1 20 . 1 1 99 99 GLN N N 99 119.735 119.735 117.916 1.819 19510 10552 1 20 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.050 0.135 19510 10553 1 20 . 1 1 99 99 GLN C C 99 178.146 178.146 178.887 -0.741 19510 10554 1 20 . 1 1 99 99 GLN CA C 99 57.748 57.748 58.780 -1.032 19510 10555 1 20 . 1 1 99 99 GLN CB C 99 27.529 27.529 28.612 -1.083 19510 10556 1 20 . 1 1 99 99 GLN H H 99 8.320 8.320 8.544 -0.224 19510 10557 1 20 . 1 1 100 100 ILE N N 100 119.676 119.676 119.489 0.187 19510 10558 1 20 . 1 1 100 100 ILE HA H 100 3.993 3.993 4.067 -0.074 19510 10559 1 20 . 1 1 100 100 ILE C C 100 178.315 178.315 178.501 -0.186 19510 10560 1 20 . 1 1 100 100 ILE CA C 100 60.935 60.935 64.000 -3.065 19510 10561 1 20 . 1 1 100 100 ILE CB C 100 34.935 34.935 37.282 -2.347 19510 10562 1 20 . 1 1 100 100 ILE H H 100 8.398 8.398 7.557 0.841 19510 10563 1 20 . 1 1 101 101 ILE N N 101 120.600 120.600 115.082 5.518 19510 10564 1 20 . 1 1 101 101 ILE HA H 101 4.027 4.027 3.723 0.304 19510 10565 1 20 . 1 1 101 101 ILE C C 101 177.006 177.006 176.755 0.251 19510 10566 1 20 . 1 1 101 101 ILE CA C 101 62.382 62.382 63.183 -0.801 19510 10567 1 20 . 1 1 101 101 ILE CB C 101 36.195 36.195 37.420 -1.225 19510 10568 1 20 . 1 1 101 101 ILE H H 101 8.350 8.350 7.447 0.903 19510 10569 1 20 . 1 1 102 102 SER N N 102 116.172 116.172 113.578 2.594 19510 10570 1 20 . 1 1 102 102 SER HA H 102 4.589 4.589 4.576 0.013 19510 10571 1 20 . 1 1 102 102 SER C C 102 173.845 173.845 173.974 -0.129 19510 10572 1 20 . 1 1 102 102 SER CA C 102 58.735 58.735 57.959 0.776 19510 10573 1 20 . 1 1 102 102 SER CB C 102 62.254 62.254 63.269 -1.015 19510 10574 1 20 . 1 1 102 102 SER H H 102 7.896 7.896 7.660 0.236 19510 10575 1 20 . 1 1 103 103 GLU N N 103 122.642 122.642 119.509 3.133 19510 10576 1 20 . 1 1 103 103 GLU HA H 103 4.473 4.473 4.528 -0.055 19510 10577 1 20 . 1 1 103 103 GLU C C 103 175.095 175.095 175.461 -0.366 19510 10578 1 20 . 1 1 103 103 GLU CA C 103 55.006 55.006 55.227 -0.221 19510 10579 1 20 . 1 1 103 103 GLU CB C 103 28.770 28.770 30.797 -2.027 19510 10580 1 20 . 1 1 103 103 GLU H H 103 7.780 7.780 7.654 0.126 19510 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 94 2.613 -0.757 2.514 19510 2 1 1 "Average Difference" HA 90 0.247 -0.080 0.235 19510 3 1 1 "Average Difference" C 65 1.097 0.337 1.052 19510 4 1 1 "Average Difference" CA 96 1.662 0.910 1.398 19510 5 1 1 "Average Difference" CB 90 1.870 1.521 1.093 19510 6 1 1 "Average Difference" HN 94 0.552 -0.226 0.506 19510 7 1 2 "Average Difference" N 94 2.685 -1.179 2.425 19510 8 1 2 "Average Difference" HA 90 0.262 -0.082 0.250 19510 9 1 2 "Average Difference" C 65 1.156 0.370 1.104 19510 10 1 2 "Average Difference" CA 96 1.688 0.941 1.409 19510 11 1 2 "Average Difference" CB 90 1.821 1.343 1.237 19510 12 1 2 "Average Difference" HN 94 0.599 -0.286 0.530 19510 13 1 3 "Average Difference" N 94 2.685 -1.148 2.441 19510 14 1 3 "Average Difference" HA 90 0.305 -0.070 0.298 19510 15 1 3 "Average Difference" C 65 1.020 0.221 1.004 19510 16 1 3 "Average Difference" CA 96 1.623 0.839 1.396 19510 17 1 3 "Average Difference" CB 90 1.956 1.555 1.193 19510 18 1 3 "Average Difference" HN 94 0.622 -0.347 0.520 19510 19 1 4 "Average Difference" N 94 2.790 -1.011 2.615 19510 20 1 4 "Average Difference" HA 90 0.194 -0.053 0.188 19510 21 1 4 "Average Difference" C 65 1.058 0.381 0.995 19510 22 1 4 "Average Difference" CA 96 1.713 1.040 1.368 19510 23 1 4 "Average Difference" CB 90 1.834 1.459 1.118 19510 24 1 4 "Average Difference" HN 94 0.575 -0.278 0.507 19510 25 1 5 "Average Difference" N 94 2.940 -1.211 2.693 19510 26 1 5 "Average Difference" HA 90 0.226 -0.063 0.218 19510 27 1 5 "Average Difference" C 65 1.060 0.285 1.029 19510 28 1 5 "Average Difference" CA 96 1.564 0.783 1.361 19510 29 1 5 "Average Difference" CB 90 1.786 1.440 1.062 19510 30 1 5 "Average Difference" HN 94 0.547 -0.292 0.465 19510 31 1 6 "Average Difference" N 94 2.597 -1.055 2.385 19510 32 1 6 "Average Difference" HA 90 0.201 -0.040 0.198 19510 33 1 6 "Average Difference" C 65 1.121 0.204 1.111 19510 34 1 6 "Average Difference" CA 96 1.603 0.861 1.359 19510 35 1 6 "Average Difference" CB 90 2.032 1.567 1.301 19510 36 1 6 "Average Difference" HN 94 0.515 -0.256 0.450 19510 37 1 7 "Average Difference" N 94 2.889 -1.264 2.612 19510 38 1 7 "Average Difference" HA 90 0.256 -0.040 0.255 19510 39 1 7 "Average Difference" C 65 1.148 0.070 1.155 19510 40 1 7 "Average Difference" CA 96 1.637 0.683 1.496 19510 41 1 7 "Average Difference" CB 90 1.775 1.526 0.913 19510 42 1 7 "Average Difference" HN 94 0.657 -0.359 0.553 19510 43 1 8 "Average Difference" N 94 3.043 -1.454 2.688 19510 44 1 8 "Average Difference" HA 90 0.252 -0.033 0.251 19510 45 1 8 "Average Difference" C 65 1.133 0.181 1.127 19510 46 1 8 "Average Difference" CA 96 1.632 0.729 1.468 19510 47 1 8 "Average Difference" CB 90 2.037 1.602 1.264 19510 48 1 8 "Average Difference" HN 94 0.701 -0.385 0.589 19510 49 1 9 "Average Difference" N 94 2.991 -1.396 2.659 19510 50 1 9 "Average Difference" HA 90 0.266 -0.066 0.259 19510 51 1 9 "Average Difference" C 65 1.172 0.134 1.173 19510 52 1 9 "Average Difference" CA 96 1.699 0.794 1.510 19510 53 1 9 "Average Difference" CB 90 1.783 1.393 1.120 19510 54 1 9 "Average Difference" HN 94 0.623 -0.340 0.525 19510 55 1 10 "Average Difference" N 94 2.873 -1.001 2.707 19510 56 1 10 "Average Difference" HA 90 0.254 -0.082 0.241 19510 57 1 10 "Average Difference" C 65 1.086 0.330 1.043 19510 58 1 10 "Average Difference" CA 96 1.760 0.910 1.514 19510 59 1 10 "Average Difference" CB 90 1.918 1.462 1.248 19510 60 1 10 "Average Difference" HN 94 0.599 -0.267 0.539 19510 61 1 11 "Average Difference" N 94 2.653 -0.814 2.539 19510 62 1 11 "Average Difference" HA 90 0.247 -0.058 0.242 19510 63 1 11 "Average Difference" C 65 1.021 0.242 1.000 19510 64 1 11 "Average Difference" CA 96 1.710 0.926 1.445 19510 65 1 11 "Average Difference" CB 90 1.929 1.522 1.191 19510 66 1 11 "Average Difference" HN 94 0.562 -0.280 0.490 19510 67 1 12 "Average Difference" N 94 2.776 -1.104 2.561 19510 68 1 12 "Average Difference" HA 90 0.295 -0.051 0.292 19510 69 1 12 "Average Difference" C 65 1.136 0.182 1.130 19510 70 1 12 "Average Difference" CA 96 1.675 0.788 1.486 19510 71 1 12 "Average Difference" CB 90 1.834 1.464 1.111 19510 72 1 12 "Average Difference" HN 94 0.589 -0.268 0.527 19510 73 1 13 "Average Difference" N 94 2.580 -1.380 2.192 19510 74 1 13 "Average Difference" HA 90 0.237 -0.070 0.228 19510 75 1 13 "Average Difference" C 65 1.098 0.223 1.083 19510 76 1 13 "Average Difference" CA 96 1.668 0.841 1.447 19510 77 1 13 "Average Difference" CB 90 1.637 1.341 0.945 19510 78 1 13 "Average Difference" HN 94 0.610 -0.323 0.521 19510 79 1 14 "Average Difference" N 94 2.661 -1.029 2.468 19510 80 1 14 "Average Difference" HA 90 0.236 -0.038 0.234 19510 81 1 14 "Average Difference" C 65 1.042 0.240 1.022 19510 82 1 14 "Average Difference" CA 96 1.705 0.896 1.459 19510 83 1 14 "Average Difference" CB 90 1.952 1.534 1.214 19510 84 1 14 "Average Difference" HN 94 0.546 -0.246 0.490 19510 85 1 15 "Average Difference" N 94 2.721 -1.426 2.329 19510 86 1 15 "Average Difference" HA 90 0.286 -0.080 0.276 19510 87 1 15 "Average Difference" C 65 1.137 0.214 1.125 19510 88 1 15 "Average Difference" CA 96 1.620 0.847 1.388 19510 89 1 15 "Average Difference" CB 90 1.902 1.463 1.222 19510 90 1 15 "Average Difference" HN 94 0.592 -0.338 0.488 19510 91 1 16 "Average Difference" N 94 2.842 -1.206 2.587 19510 92 1 16 "Average Difference" HA 90 0.221 -0.068 0.212 19510 93 1 16 "Average Difference" C 65 1.102 0.226 1.087 19510 94 1 16 "Average Difference" CA 96 1.577 0.896 1.305 19510 95 1 16 "Average Difference" CB 90 1.747 1.351 1.114 19510 96 1 16 "Average Difference" HN 94 0.542 -0.278 0.468 19510 97 1 17 "Average Difference" N 94 2.709 -1.239 2.422 19510 98 1 17 "Average Difference" HA 90 0.272 -0.071 0.264 19510 99 1 17 "Average Difference" C 65 1.124 0.254 1.104 19510 100 1 17 "Average Difference" CA 96 1.789 0.843 1.586 19510 101 1 17 "Average Difference" CB 90 1.942 1.494 1.247 19510 102 1 17 "Average Difference" HN 94 0.582 -0.297 0.504 19510 103 1 18 "Average Difference" N 94 2.754 -1.377 2.398 19510 104 1 18 "Average Difference" HA 90 0.232 -0.045 0.229 19510 105 1 18 "Average Difference" C 65 1.108 0.218 1.094 19510 106 1 18 "Average Difference" CA 96 1.672 0.784 1.484 19510 107 1 18 "Average Difference" CB 90 2.034 1.558 1.315 19510 108 1 18 "Average Difference" HN 94 0.551 -0.275 0.479 19510 109 1 19 "Average Difference" N 94 2.620 -1.125 2.379 19510 110 1 19 "Average Difference" HA 90 0.261 -0.062 0.255 19510 111 1 19 "Average Difference" C 65 1.083 0.268 1.057 19510 112 1 19 "Average Difference" CA 96 1.696 0.937 1.421 19510 113 1 19 "Average Difference" CB 90 1.883 1.437 1.224 19510 114 1 19 "Average Difference" HN 94 0.586 -0.332 0.485 19510 115 1 20 "Average Difference" N 94 2.884 -1.222 2.626 19510 116 1 20 "Average Difference" HA 90 0.259 -0.041 0.258 19510 117 1 20 "Average Difference" C 65 1.177 0.212 1.167 19510 118 1 20 "Average Difference" CA 96 1.604 0.838 1.376 19510 119 1 20 "Average Difference" CB 90 2.027 1.628 1.215 19510 120 1 20 "Average Difference" HN 94 0.560 -0.310 0.469 19510 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 19510 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 4 4 PHE N N 4 122.548 122.548 121.937 0.611 19510 2 1 . 1 1 4 4 PHE HA H 4 4.680 4.680 4.600 0.080 19510 3 1 . 1 1 4 4 PHE CA C 4 57.087 57.087 57.693 -0.606 19510 4 1 . 1 1 4 4 PHE CB C 4 38.126 38.126 39.933 -1.807 19510 5 1 . 1 1 4 4 PHE H H 4 8.328 8.328 8.055 0.273 19510 6 1 . 1 1 7 7 ARG N N 7 121.962 121.962 121.814 0.148 19510 7 1 . 1 1 7 7 ARG HA H 7 4.265 4.265 4.428 -0.163 19510 8 1 . 1 1 7 7 ARG C C 7 176.683 176.683 175.922 0.761 19510 9 1 . 1 1 7 7 ARG CA C 7 56.502 56.502 55.882 0.620 19510 10 1 . 1 1 7 7 ARG CB C 7 28.840 28.840 30.769 -1.929 19510 11 1 . 1 1 7 7 ARG H H 7 8.339 8.339 8.269 0.070 19510 12 1 . 1 1 8 8 GLU N N 8 121.095 121.095 121.476 -0.381 19510 13 1 . 1 1 8 8 GLU HA H 8 4.233 4.233 4.301 -0.068 19510 14 1 . 1 1 8 8 GLU C C 8 176.964 176.964 176.711 0.253 19510 15 1 . 1 1 8 8 GLU CA C 8 57.517 57.517 56.834 0.683 19510 16 1 . 1 1 8 8 GLU CB C 8 27.744 27.744 30.510 -2.766 19510 17 1 . 1 1 8 8 GLU H H 8 8.384 8.384 8.481 -0.097 19510 18 1 . 1 1 9 9 ARG N N 9 121.320 121.320 119.704 1.616 19510 19 1 . 1 1 9 9 ARG HA H 9 4.310 4.310 4.314 -0.004 19510 20 1 . 1 1 9 9 ARG C C 9 176.563 176.563 175.562 1.001 19510 21 1 . 1 1 9 9 ARG CA C 9 56.233 56.233 56.123 0.110 19510 22 1 . 1 1 9 9 ARG CB C 9 28.977 28.977 30.929 -1.951 19510 23 1 . 1 1 9 9 ARG H H 9 8.291 8.291 8.144 0.147 19510 24 1 . 1 1 10 10 ALA N N 10 123.900 123.900 122.024 1.876 19510 25 1 . 1 1 10 10 ALA HA H 10 4.333 4.333 4.354 -0.021 19510 26 1 . 1 1 10 10 ALA C C 10 178.129 178.129 176.809 1.320 19510 27 1 . 1 1 10 10 ALA CA C 10 52.348 52.348 52.285 0.063 19510 28 1 . 1 1 10 10 ALA CB C 10 17.396 17.396 18.417 -1.021 19510 29 1 . 1 1 10 10 ALA H H 10 8.225 8.225 8.390 -0.165 19510 30 1 . 1 1 11 11 HIS N N 11 117.829 117.829 116.638 1.191 19510 31 1 . 1 1 11 11 HIS HA H 11 4.740 4.740 4.504 0.236 19510 32 1 . 1 1 11 11 HIS C C 11 175.013 175.013 175.090 -0.077 19510 33 1 . 1 1 11 11 HIS CA C 11 55.041 55.041 55.777 -0.735 19510 34 1 . 1 1 11 11 HIS CB C 11 27.391 27.391 29.772 -2.381 19510 35 1 . 1 1 11 11 HIS H H 11 8.500 8.500 8.337 0.163 19510 36 1 . 1 1 12 12 GLU N N 12 121.398 121.398 120.506 0.892 19510 37 1 . 1 1 12 12 GLU HA H 12 4.326 4.326 3.974 0.352 19510 38 1 . 1 1 12 12 GLU C C 12 176.808 176.808 176.724 0.084 19510 39 1 . 1 1 12 12 GLU CA C 12 56.517 56.517 57.293 -0.776 19510 40 1 . 1 1 12 12 GLU CB C 12 28.289 28.289 28.645 -0.356 19510 41 1 . 1 1 12 12 GLU H H 12 8.456 8.456 8.405 0.051 19510 42 1 . 1 1 13 13 ALA N N 13 124.231 124.231 124.436 -0.205 19510 43 1 . 1 1 13 13 ALA HA H 13 4.309 4.309 4.054 0.255 19510 44 1 . 1 1 13 13 ALA C C 13 178.197 178.197 178.407 -0.210 19510 45 1 . 1 1 13 13 ALA CA C 13 53.511 53.511 53.580 -0.069 19510 46 1 . 1 1 13 13 ALA CB C 13 17.174 17.174 18.144 -0.970 19510 47 1 . 1 1 13 13 ALA H H 13 8.444 8.444 8.544 -0.100 19510 48 1 . 1 1 14 14 LYS N N 14 120.159 120.159 118.376 1.783 19510 49 1 . 1 1 14 14 LYS HA H 14 4.257 4.257 4.265 -0.008 19510 50 1 . 1 1 14 14 LYS C C 14 176.757 176.757 178.022 -1.264 19510 51 1 . 1 1 14 14 LYS CA C 14 56.461 56.461 57.747 -1.286 19510 52 1 . 1 1 14 14 LYS CB C 14 31.191 31.191 32.410 -1.219 19510 53 1 . 1 1 14 14 LYS H H 14 8.136 8.136 7.854 0.282 19510 54 1 . 1 1 15 15 PHE N N 15 118.588 118.588 118.867 -0.279 19510 55 1 . 1 1 15 15 PHE HA H 15 4.527 4.527 4.313 0.214 19510 56 1 . 1 1 15 15 PHE C C 15 175.635 175.635 176.583 -0.948 19510 57 1 . 1 1 15 15 PHE CA C 15 57.992 57.992 60.206 -2.214 19510 58 1 . 1 1 15 15 PHE CB C 15 37.908 37.908 38.827 -0.919 19510 59 1 . 1 1 15 15 PHE H H 15 7.998 7.998 8.086 -0.088 19510 60 1 . 1 1 16 16 ALA N N 16 122.847 122.847 119.078 3.769 19510 61 1 . 1 1 16 16 ALA HA H 16 4.317 4.317 4.354 -0.037 19510 62 1 . 1 1 16 16 ALA C C 16 177.641 177.641 177.062 0.579 19510 63 1 . 1 1 16 16 ALA CA C 16 52.317 52.317 52.749 -0.432 19510 64 1 . 1 1 16 16 ALA CB C 16 17.378 17.378 19.000 -1.622 19510 65 1 . 1 1 16 16 ALA H H 16 8.172 8.172 7.900 0.272 19510 66 1 . 1 1 17 17 HIS N N 17 115.904 115.904 117.395 -1.491 19510 67 1 . 1 1 17 17 HIS HA H 17 4.839 4.839 4.680 0.159 19510 68 1 . 1 1 17 17 HIS CA C 17 54.594 54.594 56.623 -2.029 19510 69 1 . 1 1 17 17 HIS CB C 17 27.532 27.532 32.241 -4.709 19510 70 1 . 1 1 17 17 HIS H H 17 8.218 8.218 8.088 0.130 19510 71 1 . 1 1 18 18 ASP N N 18 121.432 121.432 120.381 1.051 19510 72 1 . 1 1 18 18 ASP HA H 18 4.758 4.758 4.642 0.116 19510 73 1 . 1 1 18 18 ASP CA C 18 53.004 53.004 54.543 -1.539 19510 74 1 . 1 1 18 18 ASP CB C 18 39.571 39.571 41.550 -1.979 19510 75 1 . 1 1 18 18 ASP H H 18 8.103 8.103 8.162 -0.059 19510 76 1 . 1 1 19 19 ALA N N 19 126.628 126.628 123.863 2.765 19510 77 1 . 1 1 19 19 ALA HA H 19 4.303 4.303 4.217 0.086 19510 78 1 . 1 1 19 19 ALA CA C 19 53.177 53.177 53.834 -0.657 19510 79 1 . 1 1 19 19 ALA CB C 19 17.231 17.231 19.422 -2.191 19510 80 1 . 1 1 19 19 ALA H H 19 8.588 8.588 8.382 0.206 19510 81 1 . 1 1 20 20 GLU N N 20 119.826 119.826 119.637 0.189 19510 82 1 . 1 1 20 20 GLU HA H 20 4.314 4.314 4.114 0.200 19510 83 1 . 1 1 20 20 GLU CA C 20 57.403 57.403 59.373 -1.970 19510 84 1 . 1 1 20 20 GLU CB C 20 27.780 27.780 29.085 -1.305 19510 85 1 . 1 1 20 20 GLU H H 20 8.391 8.391 8.716 -0.325 19510 86 1 . 1 1 21 21 LEU N N 21 122.268 122.268 118.242 4.026 19510 87 1 . 1 1 21 21 LEU HA H 21 4.179 4.179 4.175 0.004 19510 88 1 . 1 1 21 21 LEU CA C 21 56.531 56.531 57.236 -0.705 19510 89 1 . 1 1 21 21 LEU CB C 21 40.255 40.255 41.493 -1.238 19510 90 1 . 1 1 21 21 LEU H H 21 8.134 8.134 8.024 0.110 19510 91 1 . 1 1 22 22 ASN N N 22 118.005 118.005 117.801 0.204 19510 92 1 . 1 1 22 22 ASN HA H 22 4.665 4.665 3.820 0.845 19510 93 1 . 1 1 22 22 ASN CA C 22 55.493 55.493 55.501 -0.008 19510 94 1 . 1 1 22 22 ASN CB C 22 37.084 37.084 38.206 -1.123 19510 95 1 . 1 1 22 22 ASN H H 22 8.456 8.456 7.623 0.833 19510 96 1 . 1 1 23 23 PHE N N 23 121.379 121.379 121.050 0.329 19510 97 1 . 1 1 23 23 PHE HA H 23 4.509 4.509 4.106 0.403 19510 98 1 . 1 1 23 23 PHE CA C 23 59.496 59.496 61.154 -1.658 19510 99 1 . 1 1 23 23 PHE CB C 23 37.380 37.380 39.006 -1.626 19510 100 1 . 1 1 23 23 PHE H H 23 8.453 8.453 8.597 -0.144 19510 101 1 . 1 1 24 24 LYS N N 24 120.674 120.674 118.102 2.572 19510 102 1 . 1 1 24 24 LYS HA H 24 4.191 4.191 3.959 0.232 19510 103 1 . 1 1 24 24 LYS C C 24 179.309 179.309 178.306 1.003 19510 104 1 . 1 1 24 24 LYS CA C 24 58.132 58.132 59.259 -1.127 19510 105 1 . 1 1 24 24 LYS CB C 24 31.828 31.828 32.140 -0.312 19510 106 1 . 1 1 24 24 LYS H H 24 8.504 8.504 7.882 0.622 19510 107 1 . 1 1 25 25 ALA N N 25 123.584 123.584 120.860 2.724 19510 108 1 . 1 1 25 25 ALA HA H 25 4.146 4.146 4.265 -0.119 19510 109 1 . 1 1 25 25 ALA C C 25 178.243 178.243 179.298 -1.055 19510 110 1 . 1 1 25 25 ALA CA C 25 53.760 53.760 54.170 -0.410 19510 111 1 . 1 1 25 25 ALA CB C 25 16.827 16.827 18.868 -2.041 19510 112 1 . 1 1 25 25 ALA H H 25 8.841 8.841 7.697 1.144 19510 113 1 . 1 1 26 26 GLU N N 26 122.239 122.239 118.716 3.523 19510 114 1 . 1 1 26 26 GLU HA H 26 4.083 4.083 4.030 0.053 19510 115 1 . 1 1 26 26 GLU C C 26 177.265 177.265 177.037 0.228 19510 116 1 . 1 1 26 26 GLU CA C 26 57.850 57.850 58.350 -0.500 19510 117 1 . 1 1 26 26 GLU CB C 26 28.891 28.891 29.678 -0.787 19510 118 1 . 1 1 26 26 GLU H H 26 8.482 8.482 8.103 0.379 19510 119 1 . 1 1 27 27 ALA N N 27 122.124 122.124 120.205 1.919 19510 120 1 . 1 1 27 27 ALA HA H 27 4.352 4.352 4.500 -0.148 19510 121 1 . 1 1 27 27 ALA C C 27 180.552 180.552 177.637 2.915 19510 122 1 . 1 1 27 27 ALA CA C 27 53.519 53.519 52.112 1.407 19510 123 1 . 1 1 27 27 ALA CB C 27 16.410 16.410 18.967 -2.557 19510 124 1 . 1 1 27 27 ALA H H 27 8.043 8.043 7.606 0.437 19510 125 1 . 1 1 28 28 ARG N N 28 120.375 120.375 117.916 2.459 19510 126 1 . 1 1 28 28 ARG HA H 28 4.441 4.441 4.328 0.113 19510 127 1 . 1 1 28 28 ARG C C 28 176.309 176.309 177.471 -1.162 19510 128 1 . 1 1 28 28 ARG CA C 28 55.369 55.369 56.870 -1.501 19510 129 1 . 1 1 28 28 ARG CB C 28 28.480 28.480 30.036 -1.556 19510 130 1 . 1 1 28 28 ARG H H 28 8.101 8.101 8.037 0.064 19510 131 1 . 1 1 29 29 ARG N N 29 122.734 122.734 119.176 3.558 19510 132 1 . 1 1 29 29 ARG HA H 29 3.743 3.743 4.043 -0.300 19510 133 1 . 1 1 29 29 ARG CA C 29 58.672 58.672 58.965 -0.293 19510 134 1 . 1 1 29 29 ARG CB C 29 29.051 29.051 29.571 -0.520 19510 135 1 . 1 1 29 29 ARG H H 29 8.901 8.901 8.127 0.774 19510 136 1 . 1 1 30 30 ASN N N 30 119.961 119.961 114.850 5.111 19510 137 1 . 1 1 30 30 ASN HA H 30 4.634 4.634 4.720 -0.086 19510 138 1 . 1 1 30 30 ASN C C 30 175.888 175.888 176.616 -0.728 19510 139 1 . 1 1 30 30 ASN CA C 30 55.147 55.147 54.557 0.590 19510 140 1 . 1 1 30 30 ASN CB C 30 35.418 35.418 38.883 -3.465 19510 141 1 . 1 1 30 30 ASN H H 30 8.429 8.429 8.300 0.129 19510 142 1 . 1 1 31 31 ARG N N 31 123.400 123.400 121.411 1.989 19510 143 1 . 1 1 31 31 ARG HA H 31 4.282 4.282 4.167 0.115 19510 144 1 . 1 1 31 31 ARG C C 31 177.804 177.804 177.658 0.146 19510 145 1 . 1 1 31 31 ARG CA C 31 58.132 58.132 58.550 -0.418 19510 146 1 . 1 1 31 31 ARG CB C 31 27.636 27.636 29.761 -2.124 19510 147 1 . 1 1 31 31 ARG H H 31 8.052 8.052 7.884 0.168 19510 148 1 . 1 1 32 32 LEU N N 32 119.872 119.872 116.055 3.817 19510 149 1 . 1 1 32 32 LEU HA H 32 4.318 4.318 4.560 -0.242 19510 150 1 . 1 1 32 32 LEU C C 32 180.602 180.602 178.097 2.505 19510 151 1 . 1 1 32 32 LEU CA C 32 56.471 56.471 55.905 0.566 19510 152 1 . 1 1 32 32 LEU CB C 32 40.558 40.558 41.498 -0.940 19510 153 1 . 1 1 32 32 LEU H H 32 8.752 8.752 7.574 1.178 19510 154 1 . 1 1 33 33 LEU N N 33 124.468 124.468 120.958 3.510 19510 155 1 . 1 1 33 33 LEU HA H 33 4.301 4.301 4.210 0.091 19510 156 1 . 1 1 33 33 LEU C C 33 177.992 177.992 178.740 -0.748 19510 157 1 . 1 1 33 33 LEU CA C 33 56.482 56.482 57.488 -1.006 19510 158 1 . 1 1 33 33 LEU CB C 33 41.626 41.626 41.535 0.091 19510 159 1 . 1 1 33 33 LEU H H 33 9.273 9.273 7.881 1.392 19510 160 1 . 1 1 34 34 GLY N N 34 109.045 109.045 105.932 3.113 19510 161 1 . 1 1 34 34 GLY C C 34 174.530 174.530 175.663 -1.133 19510 162 1 . 1 1 34 34 GLY CA C 34 45.447 45.447 47.094 -1.647 19510 163 1 . 1 1 34 34 GLY H H 34 8.907 8.907 8.250 0.657 19510 164 1 . 1 1 35 35 GLU N N 35 123.414 123.414 121.269 2.145 19510 165 1 . 1 1 35 35 GLU HA H 35 4.177 4.177 4.196 -0.019 19510 166 1 . 1 1 35 35 GLU C C 35 178.866 178.866 178.474 0.392 19510 167 1 . 1 1 35 35 GLU CA C 35 59.564 59.564 58.444 1.120 19510 168 1 . 1 1 35 35 GLU CB C 35 27.692 27.692 29.479 -1.787 19510 169 1 . 1 1 35 35 GLU H H 35 8.935 8.935 7.991 0.944 19510 170 1 . 1 1 36 36 TRP N N 36 124.774 124.774 122.301 2.473 19510 171 1 . 1 1 36 36 TRP HA H 36 4.604 4.604 4.361 0.243 19510 172 1 . 1 1 36 36 TRP C C 36 177.618 177.618 177.479 0.139 19510 173 1 . 1 1 36 36 TRP CA C 36 58.867 58.867 60.555 -1.688 19510 174 1 . 1 1 36 36 TRP CB C 36 26.021 26.021 29.435 -3.414 19510 175 1 . 1 1 36 36 TRP H H 36 8.531 8.531 7.585 0.946 19510 176 1 . 1 1 37 37 ALA N N 37 123.777 123.777 120.844 2.933 19510 177 1 . 1 1 37 37 ALA HA H 37 3.403 3.403 3.225 0.178 19510 178 1 . 1 1 37 37 ALA C C 37 177.427 177.427 179.159 -1.732 19510 179 1 . 1 1 37 37 ALA CA C 37 53.148 53.148 54.347 -1.199 19510 180 1 . 1 1 37 37 ALA CB C 37 18.440 18.440 17.799 0.641 19510 181 1 . 1 1 37 37 ALA H H 37 9.141 9.141 7.885 1.256 19510 182 1 . 1 1 38 38 ALA N N 38 119.259 119.259 121.376 -2.117 19510 183 1 . 1 1 38 38 ALA HA H 38 3.523 3.523 3.673 -0.150 19510 184 1 . 1 1 38 38 ALA C C 38 178.670 178.670 179.445 -0.775 19510 185 1 . 1 1 38 38 ALA CA C 38 53.882 53.882 55.255 -1.373 19510 186 1 . 1 1 38 38 ALA CB C 38 17.083 17.083 18.168 -1.085 19510 187 1 . 1 1 38 38 ALA H H 38 8.788 8.788 8.558 0.230 19510 188 1 . 1 1 39 39 GLY N N 39 104.011 104.011 106.287 -2.276 19510 189 1 . 1 1 39 39 GLY C C 39 177.232 177.232 176.403 0.829 19510 190 1 . 1 1 39 39 GLY CA C 39 45.519 45.519 46.766 -1.247 19510 191 1 . 1 1 39 39 GLY H H 39 7.756 7.756 7.928 -0.172 19510 192 1 . 1 1 40 40 LEU N N 40 125.340 125.340 121.633 3.707 19510 193 1 . 1 1 40 40 LEU HA H 40 4.111 4.111 3.974 0.137 19510 194 1 . 1 1 40 40 LEU C C 40 178.203 178.203 178.256 -0.053 19510 195 1 . 1 1 40 40 LEU CA C 40 56.123 56.123 57.001 -0.878 19510 196 1 . 1 1 40 40 LEU CB C 40 40.764 40.764 41.709 -0.945 19510 197 1 . 1 1 40 40 LEU H H 40 7.511 7.511 7.330 0.181 19510 198 1 . 1 1 41 41 LEU N N 41 117.234 117.234 115.507 1.727 19510 199 1 . 1 1 41 41 LEU HA H 41 4.139 4.139 4.096 0.044 19510 200 1 . 1 1 41 41 LEU C C 41 176.119 176.119 177.623 -1.504 19510 201 1 . 1 1 41 41 LEU CA C 41 53.213 53.213 55.454 -2.241 19510 202 1 . 1 1 41 41 LEU CB C 41 41.092 41.092 41.978 -0.886 19510 203 1 . 1 1 41 41 LEU H H 41 7.692 7.692 7.865 -0.173 19510 204 1 . 1 1 42 42 GLY N N 42 109.595 109.595 106.186 3.409 19510 205 1 . 1 1 42 42 GLY C C 42 173.775 173.775 174.177 -0.402 19510 206 1 . 1 1 42 42 GLY CA C 42 44.409 44.409 45.044 -0.635 19510 207 1 . 1 1 42 42 GLY H H 42 7.896 7.896 7.655 0.241 19510 208 1 . 1 1 43 43 LYS N N 43 119.965 119.965 121.890 -1.925 19510 209 1 . 1 1 43 43 LYS HA H 43 4.737 4.737 4.457 0.280 19510 210 1 . 1 1 43 43 LYS C C 43 175.246 175.246 175.306 -0.060 19510 211 1 . 1 1 43 43 LYS CA C 43 54.189 54.189 55.810 -1.621 19510 212 1 . 1 1 43 43 LYS CB C 43 33.208 33.208 33.573 -0.365 19510 213 1 . 1 1 43 43 LYS H H 43 8.104 8.104 8.022 0.082 19510 214 1 . 1 1 44 44 THR N N 44 114.199 114.199 113.074 1.125 19510 215 1 . 1 1 44 44 THR HA H 44 4.773 4.773 4.546 0.227 19510 216 1 . 1 1 44 44 THR C C 44 174.392 174.392 175.145 -0.753 19510 217 1 . 1 1 44 44 THR CA C 44 58.348 58.348 60.229 -1.881 19510 218 1 . 1 1 44 44 THR CB C 44 70.921 70.921 71.649 -0.728 19510 219 1 . 1 1 44 44 THR H H 44 8.958 8.958 8.139 0.819 19510 220 1 . 1 1 45 45 GLY N N 45 109.657 109.657 110.945 -1.288 19510 221 1 . 1 1 45 45 GLY C C 45 175.330 175.330 175.181 0.148 19510 222 1 . 1 1 45 45 GLY CA C 45 45.315 45.315 46.203 -0.888 19510 223 1 . 1 1 45 45 GLY H H 45 8.885 8.885 8.536 0.349 19510 224 1 . 1 1 46 46 ASP N N 46 128.403 128.403 123.568 4.835 19510 225 1 . 1 1 46 46 ASP HA H 46 4.561 4.561 4.497 0.064 19510 226 1 . 1 1 46 46 ASP C C 46 177.343 177.343 177.743 -0.400 19510 227 1 . 1 1 46 46 ASP CA C 46 55.829 55.829 56.474 -0.645 19510 228 1 . 1 1 46 46 ASP CB C 46 39.039 39.039 40.823 -1.784 19510 229 1 . 1 1 46 46 ASP H H 46 9.318 9.318 8.584 0.733 19510 230 1 . 1 1 47 47 ASP N N 47 121.367 121.367 119.688 1.679 19510 231 1 . 1 1 47 47 ASP HA H 47 4.668 4.668 4.438 0.230 19510 232 1 . 1 1 47 47 ASP CA C 47 55.545 55.545 57.376 -1.831 19510 233 1 . 1 1 47 47 ASP CB C 47 39.415 39.415 40.842 -1.427 19510 234 1 . 1 1 47 47 ASP H H 47 8.521 8.521 8.032 0.489 19510 235 1 . 1 1 48 48 ALA N N 48 123.210 123.210 122.453 0.757 19510 236 1 . 1 1 48 48 ALA HA H 48 3.940 3.940 4.074 -0.134 19510 237 1 . 1 1 48 48 ALA CA C 48 53.331 53.331 55.091 -1.760 19510 238 1 . 1 1 48 48 ALA CB C 48 16.036 16.036 18.673 -2.637 19510 239 1 . 1 1 48 48 ALA H H 48 7.262 7.262 7.553 -0.291 19510 240 1 . 1 1 49 49 ARG N N 49 120.088 120.088 119.354 0.734 19510 241 1 . 1 1 49 49 ARG HA H 49 4.126 4.126 4.040 0.086 19510 242 1 . 1 1 49 49 ARG CA C 49 57.876 57.876 59.308 -1.432 19510 243 1 . 1 1 49 49 ARG CB C 49 28.774 28.774 30.258 -1.484 19510 244 1 . 1 1 49 49 ARG H H 49 7.805 7.805 8.136 -0.331 19510 245 1 . 1 1 50 50 ALA N N 50 121.061 121.061 120.573 0.488 19510 246 1 . 1 1 50 50 ALA HA H 50 4.218 4.218 4.123 0.095 19510 247 1 . 1 1 50 50 ALA CA C 50 53.399 53.399 54.706 -1.307 19510 248 1 . 1 1 50 50 ALA CB C 50 16.672 16.672 18.314 -1.642 19510 249 1 . 1 1 50 50 ALA H H 50 8.387 8.387 8.083 0.304 19510 250 1 . 1 1 51 51 TYR N N 51 119.264 119.264 120.948 -1.684 19510 251 1 . 1 1 51 51 TYR HA H 51 4.231 4.231 4.128 0.103 19510 252 1 . 1 1 51 51 TYR C C 51 178.335 178.335 177.506 0.829 19510 253 1 . 1 1 51 51 TYR CA C 51 60.493 60.493 60.647 -0.154 19510 254 1 . 1 1 51 51 TYR CB C 51 37.094 37.094 38.446 -1.352 19510 255 1 . 1 1 51 51 TYR H H 51 8.095 8.095 8.003 0.092 19510 256 1 . 1 1 52 52 ALA N N 52 124.002 124.002 120.592 3.410 19510 257 1 . 1 1 52 52 ALA HA H 52 3.899 3.899 3.941 -0.042 19510 258 1 . 1 1 52 52 ALA C C 52 178.352 178.352 178.540 -0.188 19510 259 1 . 1 1 52 52 ALA CA C 52 54.394 54.394 54.135 0.259 19510 260 1 . 1 1 52 52 ALA CB C 52 16.369 16.369 18.299 -1.930 19510 261 1 . 1 1 52 52 ALA H H 52 8.651 8.651 8.329 0.322 19510 262 1 . 1 1 53 53 LEU N N 53 116.593 116.593 115.983 0.610 19510 263 1 . 1 1 53 53 LEU HA H 53 4.301 4.301 4.236 0.065 19510 264 1 . 1 1 53 53 LEU C C 53 177.452 177.452 177.974 -0.522 19510 265 1 . 1 1 53 53 LEU CA C 53 55.412 55.412 56.194 -0.782 19510 266 1 . 1 1 53 53 LEU CB C 53 40.510 40.510 41.941 -1.431 19510 267 1 . 1 1 53 53 LEU H H 53 7.664 7.664 7.543 0.121 19510 268 1 . 1 1 54 54 THR N N 54 110.998 110.998 112.748 -1.750 19510 269 1 . 1 1 54 54 THR HA H 54 4.401 4.401 4.391 0.010 19510 270 1 . 1 1 54 54 THR CA C 54 61.997 61.997 62.249 -0.252 19510 271 1 . 1 1 54 54 THR CB C 54 67.988 67.988 69.524 -1.536 19510 272 1 . 1 1 54 54 THR H H 54 7.962 7.962 7.616 0.346 19510 273 1 . 1 1 55 55 VAL N N 55 123.907 123.907 122.882 1.025 19510 274 1 . 1 1 55 55 VAL HA H 55 3.869 3.869 4.089 -0.220 19510 275 1 . 1 1 55 55 VAL CA C 55 62.373 62.373 62.199 0.175 19510 276 1 . 1 1 55 55 VAL CB C 55 29.037 29.037 31.688 -2.651 19510 277 1 . 1 1 55 55 VAL H H 55 7.217 7.217 7.546 -0.329 19510 278 1 . 1 1 56 56 VAL N N 56 119.176 119.176 122.870 -3.694 19510 279 1 . 1 1 56 56 VAL HA H 56 4.300 4.300 4.396 -0.096 19510 280 1 . 1 1 56 56 VAL CA C 56 55.363 55.363 61.658 -6.295 19510 281 1 . 1 1 56 56 VAL CB C 56 32.466 32.466 32.710 -0.244 19510 282 1 . 1 1 56 56 VAL H H 56 7.474 7.474 7.792 -0.318 19510 283 1 . 1 1 57 57 THR N N 57 114.951 114.951 119.725 -4.774 19510 284 1 . 1 1 57 57 THR HA H 57 4.509 4.509 4.432 0.077 19510 285 1 . 1 1 57 57 THR CA C 57 60.698 60.698 61.867 -1.169 19510 286 1 . 1 1 57 57 THR CB C 57 68.177 68.177 69.601 -1.424 19510 287 1 . 1 1 57 57 THR H H 57 7.992 7.992 8.458 -0.466 19510 288 1 . 1 1 58 58 SER N N 58 119.820 119.820 117.407 2.413 19510 289 1 . 1 1 58 58 SER HA H 58 4.554 4.554 4.520 0.034 19510 290 1 . 1 1 58 58 SER CA C 58 57.409 57.409 58.763 -1.354 19510 291 1 . 1 1 58 58 SER CB C 58 62.399 62.399 63.691 -1.292 19510 292 1 . 1 1 58 58 SER H H 58 8.473 8.473 8.342 0.131 19510 293 1 . 1 1 59 59 ASP N N 59 122.199 122.199 121.851 0.348 19510 294 1 . 1 1 59 59 ASP HA H 59 4.762 4.762 4.825 -0.063 19510 295 1 . 1 1 59 59 ASP C C 59 175.459 175.459 175.002 0.457 19510 296 1 . 1 1 59 59 ASP CA C 59 52.469 52.469 54.005 -1.536 19510 297 1 . 1 1 59 59 ASP CB C 59 39.455 39.455 42.126 -2.671 19510 298 1 . 1 1 59 59 ASP H H 59 8.285 8.285 8.306 -0.021 19510 299 1 . 1 1 60 60 PHE HA H 60 4.182 4.182 4.590 -0.408 19510 300 1 . 1 1 60 60 PHE CA C 60 59.253 59.253 58.320 0.933 19510 301 1 . 1 1 60 60 PHE CB C 60 35.163 35.163 40.147 -4.984 19510 302 1 . 1 1 63 63 PRO HA H 63 4.606 4.606 4.502 0.104 19510 303 1 . 1 1 63 63 PRO CA C 63 55.716 55.716 63.074 -7.358 19510 304 1 . 1 1 63 63 PRO CB C 63 30.732 30.732 31.313 -0.581 19510 305 1 . 1 1 64 64 GLY N N 64 110.382 110.382 110.225 0.157 19510 306 1 . 1 1 64 64 GLY CA C 64 44.280 44.280 45.334 -1.054 19510 307 1 . 1 1 64 64 GLY H H 64 8.706 8.706 8.203 0.503 19510 308 1 . 1 1 65 65 ASP N N 65 121.977 121.977 121.172 0.805 19510 309 1 . 1 1 65 65 ASP HA H 65 4.663 4.663 4.638 0.025 19510 310 1 . 1 1 65 65 ASP CA C 65 55.765 55.765 54.667 1.098 19510 311 1 . 1 1 65 65 ASP CB C 65 39.579 39.579 41.231 -1.652 19510 312 1 . 1 1 65 65 ASP H H 65 8.661 8.661 8.234 0.427 19510 313 1 . 1 1 66 66 GLU N N 66 120.065 120.065 118.934 1.131 19510 314 1 . 1 1 66 66 GLU HA H 66 4.437 4.437 4.106 0.331 19510 315 1 . 1 1 66 66 GLU CA C 66 57.520 57.520 57.162 0.358 19510 316 1 . 1 1 66 66 GLU CB C 66 27.598 27.598 29.664 -2.066 19510 317 1 . 1 1 66 66 GLU H H 66 8.643 8.643 8.307 0.336 19510 318 1 . 1 1 67 67 ASP N N 67 120.033 120.033 120.047 -0.014 19510 319 1 . 1 1 67 67 ASP HA H 67 4.609 4.609 4.531 0.078 19510 320 1 . 1 1 67 67 ASP CA C 67 55.601 55.601 56.086 -0.485 19510 321 1 . 1 1 67 67 ASP CB C 67 39.106 39.106 41.231 -2.125 19510 322 1 . 1 1 67 67 ASP H H 67 8.272 8.272 8.332 -0.060 19510 323 1 . 1 1 68 68 VAL N N 68 123.206 123.206 119.646 3.560 19510 324 1 . 1 1 68 68 VAL HA H 68 3.817 3.817 3.799 0.018 19510 325 1 . 1 1 68 68 VAL CA C 68 65.715 65.715 65.503 0.212 19510 326 1 . 1 1 68 68 VAL CB C 68 30.705 30.705 31.879 -1.174 19510 327 1 . 1 1 68 68 VAL H H 68 8.045 8.045 7.819 0.227 19510 328 1 . 1 1 69 69 PHE N N 69 120.600 120.600 119.029 1.571 19510 329 1 . 1 1 69 69 PHE HA H 69 4.158 4.158 4.327 -0.169 19510 330 1 . 1 1 69 69 PHE CA C 69 61.013 61.013 60.143 0.870 19510 331 1 . 1 1 69 69 PHE CB C 69 37.455 37.455 38.410 -0.955 19510 332 1 . 1 1 69 69 PHE H H 69 8.488 8.488 7.794 0.694 19510 333 1 . 1 1 70 70 ARG N N 70 117.820 117.820 120.259 -2.439 19510 334 1 . 1 1 70 70 ARG HA H 70 3.755 3.755 3.811 -0.056 19510 335 1 . 1 1 70 70 ARG C C 70 178.813 178.813 177.955 0.858 19510 336 1 . 1 1 70 70 ARG CA C 70 58.184 58.184 59.301 -1.117 19510 337 1 . 1 1 70 70 ARG CB C 70 28.899 28.899 29.786 -0.887 19510 338 1 . 1 1 70 70 ARG H H 70 8.611 8.611 8.112 0.499 19510 339 1 . 1 1 71 71 LYS N N 71 121.726 121.726 117.864 3.862 19510 340 1 . 1 1 71 71 LYS HA H 71 4.253 4.253 4.174 0.079 19510 341 1 . 1 1 71 71 LYS C C 71 177.020 177.020 178.363 -1.343 19510 342 1 . 1 1 71 71 LYS CA C 71 58.490 58.490 58.069 0.421 19510 343 1 . 1 1 71 71 LYS CB C 71 31.216 31.216 32.036 -0.820 19510 344 1 . 1 1 71 71 LYS H H 71 7.686 7.686 7.783 -0.097 19510 345 1 . 1 1 72 72 LEU N N 72 119.355 119.355 120.811 -1.456 19510 346 1 . 1 1 72 72 LEU HA H 72 4.051 4.051 4.169 -0.118 19510 347 1 . 1 1 72 72 LEU C C 72 177.378 177.378 178.313 -0.935 19510 348 1 . 1 1 72 72 LEU CA C 72 56.317 56.317 57.386 -1.069 19510 349 1 . 1 1 72 72 LEU CB C 72 41.148 41.148 42.064 -0.916 19510 350 1 . 1 1 72 72 LEU H H 72 8.215 8.215 7.946 0.269 19510 351 1 . 1 1 73 73 ALA N N 73 121.106 121.106 120.705 0.401 19510 352 1 . 1 1 73 73 ALA HA H 73 3.767 3.767 3.914 -0.147 19510 353 1 . 1 1 73 73 ALA C C 73 179.644 179.644 178.710 0.934 19510 354 1 . 1 1 73 73 ALA CA C 73 53.263 53.263 54.646 -1.383 19510 355 1 . 1 1 73 73 ALA CB C 73 15.930 15.930 18.141 -2.211 19510 356 1 . 1 1 73 73 ALA H H 73 9.143 9.143 8.216 0.927 19510 357 1 . 1 1 74 74 ALA N N 74 119.383 119.383 119.613 -0.230 19510 358 1 . 1 1 74 74 ALA HA H 74 4.384 4.384 4.071 0.313 19510 359 1 . 1 1 74 74 ALA C C 74 179.752 179.752 179.739 0.013 19510 360 1 . 1 1 74 74 ALA CA C 74 53.524 53.524 54.325 -0.801 19510 361 1 . 1 1 74 74 ALA CB C 74 17.094 17.094 18.449 -1.355 19510 362 1 . 1 1 74 74 ALA H H 74 7.403 7.403 7.707 -0.304 19510 363 1 . 1 1 75 75 ASP N N 75 120.226 120.226 119.746 0.480 19510 364 1 . 1 1 75 75 ASP HA H 75 4.523 4.523 4.480 0.043 19510 365 1 . 1 1 75 75 ASP C C 75 177.704 177.704 177.483 0.221 19510 366 1 . 1 1 75 75 ASP CA C 75 55.312 55.312 56.719 -1.407 19510 367 1 . 1 1 75 75 ASP CB C 75 38.326 38.326 41.320 -2.994 19510 368 1 . 1 1 75 75 ASP H H 75 8.536 8.536 7.962 0.574 19510 369 1 . 1 1 76 76 LEU N N 76 115.468 115.468 118.888 -3.420 19510 370 1 . 1 1 76 76 LEU HA H 76 4.392 4.392 4.367 0.025 19510 371 1 . 1 1 76 76 LEU C C 76 174.790 174.790 175.344 -0.554 19510 372 1 . 1 1 76 76 LEU CA C 76 52.624 52.624 53.348 -0.724 19510 373 1 . 1 1 76 76 LEU CB C 76 39.594 39.594 41.559 -1.964 19510 374 1 . 1 1 76 76 LEU H H 76 8.612 8.612 8.027 0.585 19510 375 1 . 1 1 77 77 GLU N N 77 124.725 124.725 121.419 3.306 19510 376 1 . 1 1 77 77 GLU HA H 77 4.343 4.343 4.057 0.286 19510 377 1 . 1 1 77 77 GLU C C 77 176.953 176.953 177.389 -0.436 19510 378 1 . 1 1 77 77 GLU CA C 77 57.345 57.345 57.969 -0.623 19510 379 1 . 1 1 77 77 GLU CB C 77 27.555 27.555 29.392 -1.837 19510 380 1 . 1 1 77 77 GLU H H 77 7.158 7.158 7.323 -0.165 19510 381 1 . 1 1 78 78 GLY N N 78 118.105 118.105 114.174 3.931 19510 382 1 . 1 1 78 78 GLY C C 78 173.075 173.075 174.844 -1.769 19510 383 1 . 1 1 78 78 GLY CA C 78 44.269 44.269 45.676 -1.407 19510 384 1 . 1 1 78 78 GLY H H 78 9.392 9.392 8.842 0.550 19510 385 1 . 1 1 79 79 LYS N N 79 120.237 120.237 118.880 1.357 19510 386 1 . 1 1 79 79 LYS HA H 79 4.663 4.663 4.531 0.132 19510 387 1 . 1 1 79 79 LYS C C 79 175.050 175.050 174.815 0.235 19510 388 1 . 1 1 79 79 LYS CA C 79 54.683 54.683 55.729 -1.046 19510 389 1 . 1 1 79 79 LYS CB C 79 33.435 33.435 33.947 -0.512 19510 390 1 . 1 1 79 79 LYS H H 79 8.809 8.809 8.281 0.528 19510 391 1 . 1 1 80 80 ALA N N 80 121.135 121.135 121.494 -0.359 19510 392 1 . 1 1 80 80 ALA HA H 80 4.893 4.893 4.707 0.186 19510 393 1 . 1 1 80 80 ALA C C 80 174.051 174.051 174.727 -0.676 19510 394 1 . 1 1 80 80 ALA CA C 80 50.289 50.289 51.604 -1.315 19510 395 1 . 1 1 80 80 ALA CB C 80 20.483 20.483 21.282 -0.799 19510 396 1 . 1 1 80 80 ALA H H 80 8.169 8.169 7.553 0.616 19510 397 1 . 1 1 81 81 ASP N N 81 121.569 121.569 120.149 1.420 19510 398 1 . 1 1 81 81 ASP HA H 81 4.898 4.898 4.913 -0.015 19510 399 1 . 1 1 81 81 ASP CA C 81 50.397 50.397 53.315 -2.918 19510 400 1 . 1 1 81 81 ASP CB C 81 40.401 40.401 43.203 -2.802 19510 401 1 . 1 1 81 81 ASP H H 81 8.330 8.330 8.394 -0.064 19510 402 1 . 1 1 82 82 GLU N N 82 119.843 119.843 121.117 -1.274 19510 403 1 . 1 1 82 82 GLU HA H 82 4.185 4.185 4.137 0.048 19510 404 1 . 1 1 82 82 GLU C C 82 177.350 177.350 178.413 -1.063 19510 405 1 . 1 1 82 82 GLU CA C 82 59.676 59.676 60.235 -0.559 19510 406 1 . 1 1 82 82 GLU CB C 82 27.893 27.893 29.737 -1.844 19510 407 1 . 1 1 82 82 GLU H H 82 8.923 8.923 8.835 0.088 19510 408 1 . 1 1 83 83 GLU N N 83 119.348 119.348 116.905 2.443 19510 409 1 . 1 1 83 83 GLU HA H 83 4.177 4.177 4.206 -0.029 19510 410 1 . 1 1 83 83 GLU C C 83 178.794 178.794 178.497 0.297 19510 411 1 . 1 1 83 83 GLU CA C 83 59.082 59.082 58.760 0.322 19510 412 1 . 1 1 83 83 GLU CB C 83 28.879 28.879 29.184 -0.305 19510 413 1 . 1 1 83 83 GLU H H 83 8.832 8.832 8.721 0.111 19510 414 1 . 1 1 84 84 THR N N 84 119.892 119.892 116.815 3.077 19510 415 1 . 1 1 84 84 THR HA H 84 4.140 4.140 4.125 0.015 19510 416 1 . 1 1 84 84 THR C C 84 176.165 176.165 176.346 -0.181 19510 417 1 . 1 1 84 84 THR CA C 84 65.721 65.721 66.259 -0.538 19510 418 1 . 1 1 84 84 THR CB C 84 66.751 66.751 68.887 -2.136 19510 419 1 . 1 1 84 84 THR H H 84 8.576 8.576 7.716 0.860 19510 420 1 . 1 1 85 85 ILE N N 85 123.655 123.655 121.773 1.882 19510 421 1 . 1 1 85 85 ILE HA H 85 3.819 3.819 3.719 0.100 19510 422 1 . 1 1 85 85 ILE C C 85 174.809 174.809 177.222 -2.413 19510 423 1 . 1 1 85 85 ILE CA C 85 64.891 64.891 65.634 -0.743 19510 424 1 . 1 1 85 85 ILE CB C 85 37.797 37.797 38.016 -0.219 19510 425 1 . 1 1 85 85 ILE H H 85 8.572 8.572 8.339 0.233 19510 426 1 . 1 1 86 86 ARG N N 86 119.670 119.670 119.508 0.162 19510 427 1 . 1 1 86 86 ARG HA H 86 4.186 4.186 3.731 0.455 19510 428 1 . 1 1 86 86 ARG CA C 86 58.766 58.766 58.646 0.120 19510 429 1 . 1 1 86 86 ARG CB C 86 28.165 28.165 28.898 -0.733 19510 430 1 . 1 1 86 86 ARG H H 86 9.092 9.092 8.044 1.048 19510 431 1 . 1 1 87 87 ALA N N 87 121.431 121.431 121.259 0.172 19510 432 1 . 1 1 87 87 ALA HA H 87 4.307 4.307 4.151 0.156 19510 433 1 . 1 1 87 87 ALA CA C 87 53.558 53.558 53.887 -0.329 19510 434 1 . 1 1 87 87 ALA CB C 87 16.382 16.382 18.422 -2.039 19510 435 1 . 1 1 87 87 ALA H H 87 8.242 8.242 7.793 0.449 19510 436 1 . 1 1 88 88 LYS N N 88 122.742 122.742 119.400 3.342 19510 437 1 . 1 1 88 88 LYS HA H 88 4.011 4.011 3.926 0.085 19510 438 1 . 1 1 88 88 LYS CA C 88 55.172 55.172 58.638 -3.466 19510 439 1 . 1 1 88 88 LYS CB C 88 29.078 29.078 31.978 -2.900 19510 440 1 . 1 1 88 88 LYS H H 88 8.182 8.182 7.820 0.362 19510 441 1 . 1 1 89 89 MET N N 89 118.686 118.686 116.901 1.785 19510 442 1 . 1 1 89 89 MET HA H 89 3.854 3.854 4.105 -0.251 19510 443 1 . 1 1 89 89 MET CA C 89 59.175 59.175 58.732 0.443 19510 444 1 . 1 1 89 89 MET CB C 89 31.697 31.697 32.354 -0.658 19510 445 1 . 1 1 89 89 MET H H 89 8.504 8.504 7.529 0.975 19510 446 1 . 1 1 90 90 VAL N N 90 120.987 120.987 118.145 2.842 19510 447 1 . 1 1 90 90 VAL HA H 90 3.853 3.853 3.709 0.144 19510 448 1 . 1 1 90 90 VAL C C 90 178.017 178.017 178.307 -0.290 19510 449 1 . 1 1 90 90 VAL CA C 90 64.868 64.868 65.285 -0.417 19510 450 1 . 1 1 90 90 VAL CB C 90 31.054 31.054 31.419 -0.365 19510 451 1 . 1 1 90 90 VAL H H 90 7.573 7.573 7.593 -0.019 19510 452 1 . 1 1 91 91 GLU N N 91 124.236 124.236 120.915 3.321 19510 453 1 . 1 1 91 91 GLU HA H 91 3.802 3.802 4.022 -0.220 19510 454 1 . 1 1 91 91 GLU C C 91 177.612 177.612 178.781 -1.169 19510 455 1 . 1 1 91 91 GLU CA C 91 58.414 58.414 59.271 -0.857 19510 456 1 . 1 1 91 91 GLU CB C 91 30.606 30.606 29.506 1.100 19510 457 1 . 1 1 91 91 GLU H H 91 8.494 8.494 7.930 0.564 19510 458 1 . 1 1 92 92 LEU N N 92 114.818 114.818 117.516 -2.699 19510 459 1 . 1 1 92 92 LEU HA H 92 4.336 4.336 4.338 -0.002 19510 460 1 . 1 1 92 92 LEU C C 92 177.928 177.928 177.903 0.025 19510 461 1 . 1 1 92 92 LEU CA C 92 56.351 56.351 55.099 1.252 19510 462 1 . 1 1 92 92 LEU CB C 92 39.780 39.780 40.646 -0.866 19510 463 1 . 1 1 92 92 LEU H H 92 8.833 8.833 7.560 1.273 19510 464 1 . 1 1 93 93 ARG N N 93 123.398 123.398 120.897 2.501 19510 465 1 . 1 1 93 93 ARG HA H 93 3.997 3.997 3.889 0.108 19510 466 1 . 1 1 93 93 ARG C C 93 176.350 176.350 177.808 -1.458 19510 467 1 . 1 1 93 93 ARG CA C 93 58.848 58.848 59.408 -0.560 19510 468 1 . 1 1 93 93 ARG CB C 93 28.592 28.592 29.821 -1.229 19510 469 1 . 1 1 93 93 ARG H H 93 7.746 7.746 7.641 0.105 19510 470 1 . 1 1 94 94 ALA N N 94 122.480 122.480 119.829 2.651 19510 471 1 . 1 1 94 94 ALA HA H 94 4.261 4.261 4.235 0.026 19510 472 1 . 1 1 94 94 ALA C C 94 179.805 179.805 179.186 0.619 19510 473 1 . 1 1 94 94 ALA CA C 94 54.529 54.529 54.517 0.012 19510 474 1 . 1 1 94 94 ALA CB C 94 16.423 16.423 18.336 -1.913 19510 475 1 . 1 1 94 94 ALA H H 94 7.322 7.322 8.066 -0.744 19510 476 1 . 1 1 95 95 THR N N 95 116.936 116.936 116.097 0.839 19510 477 1 . 1 1 95 95 THR HA H 95 4.045 4.045 3.881 0.163 19510 478 1 . 1 1 95 95 THR C C 95 175.007 175.007 176.358 -1.351 19510 479 1 . 1 1 95 95 THR CA C 95 64.868 64.868 66.563 -1.695 19510 480 1 . 1 1 95 95 THR CB C 95 67.633 67.633 68.410 -0.777 19510 481 1 . 1 1 95 95 THR H H 95 8.275 8.275 7.997 0.278 19510 482 1 . 1 1 96 96 ALA N N 96 123.969 123.969 123.340 0.629 19510 483 1 . 1 1 96 96 ALA HA H 96 3.904 3.904 4.008 -0.104 19510 484 1 . 1 1 96 96 ALA C C 96 178.184 178.184 179.135 -0.951 19510 485 1 . 1 1 96 96 ALA CA C 96 54.098 54.098 55.018 -0.920 19510 486 1 . 1 1 96 96 ALA CB C 96 18.118 18.118 18.357 -0.239 19510 487 1 . 1 1 96 96 ALA H H 96 8.688 8.688 8.159 0.529 19510 488 1 . 1 1 97 97 ARG N N 97 117.393 117.393 117.562 -0.169 19510 489 1 . 1 1 97 97 ARG HA H 97 3.857 3.857 4.144 -0.287 19510 490 1 . 1 1 97 97 ARG C C 97 176.770 176.770 178.484 -1.714 19510 491 1 . 1 1 97 97 ARG CA C 97 58.669 58.669 58.845 -0.176 19510 492 1 . 1 1 97 97 ARG CB C 97 28.932 28.932 29.917 -0.985 19510 493 1 . 1 1 97 97 ARG H H 97 8.073 8.073 7.800 0.273 19510 494 1 . 1 1 98 98 GLU N N 98 118.029 118.029 120.159 -2.130 19510 495 1 . 1 1 98 98 GLU HA H 98 4.180 4.180 3.975 0.205 19510 496 1 . 1 1 98 98 GLU C C 98 178.865 178.865 179.045 -0.180 19510 497 1 . 1 1 98 98 GLU CA C 98 57.867 57.867 59.473 -1.606 19510 498 1 . 1 1 98 98 GLU CB C 98 27.704 27.704 29.314 -1.610 19510 499 1 . 1 1 98 98 GLU H H 98 7.896 7.896 8.009 -0.113 19510 500 1 . 1 1 99 99 GLN N N 99 119.735 119.735 117.422 2.313 19510 501 1 . 1 1 99 99 GLN HA H 99 4.185 4.185 4.071 0.114 19510 502 1 . 1 1 99 99 GLN C C 99 178.146 178.146 178.505 -0.359 19510 503 1 . 1 1 99 99 GLN CA C 99 57.748 57.748 58.609 -0.861 19510 504 1 . 1 1 99 99 GLN CB C 99 27.529 27.529 28.567 -1.038 19510 505 1 . 1 1 99 99 GLN H H 99 8.320 8.320 8.213 0.107 19510 506 1 . 1 1 100 100 ILE N N 100 119.676 119.676 118.532 1.144 19510 507 1 . 1 1 100 100 ILE HA H 100 3.993 3.993 3.985 0.008 19510 508 1 . 1 1 100 100 ILE C C 100 178.315 178.315 178.318 -0.003 19510 509 1 . 1 1 100 100 ILE CA C 100 60.935 60.935 62.921 -1.986 19510 510 1 . 1 1 100 100 ILE CB C 100 34.935 34.935 37.563 -2.628 19510 511 1 . 1 1 100 100 ILE H H 100 8.398 8.398 7.592 0.806 19510 512 1 . 1 1 101 101 ILE N N 101 120.600 120.600 118.143 2.457 19510 513 1 . 1 1 101 101 ILE HA H 101 4.027 4.027 3.721 0.306 19510 514 1 . 1 1 101 101 ILE C C 101 177.006 177.006 177.559 -0.553 19510 515 1 . 1 1 101 101 ILE CA C 101 62.382 62.382 63.807 -1.425 19510 516 1 . 1 1 101 101 ILE CB C 101 36.195 36.195 37.262 -1.067 19510 517 1 . 1 1 101 101 ILE H H 101 8.350 8.350 7.615 0.735 19510 518 1 . 1 1 102 102 SER N N 102 116.172 116.172 114.238 1.934 19510 519 1 . 1 1 102 102 SER HA H 102 4.589 4.589 4.445 0.144 19510 520 1 . 1 1 102 102 SER C C 102 173.845 173.845 174.661 -0.816 19510 521 1 . 1 1 102 102 SER CA C 102 58.735 58.735 59.443 -0.708 19510 522 1 . 1 1 102 102 SER CB C 102 62.254 62.254 63.607 -1.353 19510 523 1 . 1 1 102 102 SER H H 102 7.896 7.896 7.764 0.132 19510 524 1 . 1 1 103 103 GLU N N 103 122.642 122.642 120.638 2.004 19510 525 1 . 1 1 103 103 GLU HA H 103 4.473 4.473 4.500 -0.027 19510 526 1 . 1 1 103 103 GLU C C 103 175.095 175.095 175.532 -0.437 19510 527 1 . 1 1 103 103 GLU CA C 103 55.006 55.006 55.344 -0.338 19510 528 1 . 1 1 103 103 GLU CB C 103 28.770 28.770 30.410 -1.640 19510 529 1 . 1 1 103 103 GLU H H 103 7.780 7.780 7.748 0.032 19510 stop_ save_