data_19488 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19488 _Entry.PDB_ID 2MDJ 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 19488 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 SER N N 2 117.587 117.587 116.916 0.671 19488 2 1 1 . 1 1 2 2 SER HA H 2 4.412 4.412 4.348 0.064 19488 3 1 1 . 1 1 2 2 SER C C 2 173.921 173.921 174.727 -0.806 19488 4 1 1 . 1 1 2 2 SER CA C 2 58.253 58.253 61.363 -3.110 19488 5 1 1 . 1 1 2 2 SER CB C 2 63.958 63.958 63.799 0.159 19488 6 1 1 . 1 1 2 2 SER H H 2 8.036 8.036 8.751 -0.715 19488 7 1 1 . 1 1 3 3 ASP N N 3 122.646 122.646 119.215 3.431 19488 8 1 1 . 1 1 3 3 ASP HA H 3 4.531 4.531 4.730 -0.199 19488 9 1 1 . 1 1 3 3 ASP C C 3 175.710 175.710 175.830 -0.120 19488 10 1 1 . 1 1 3 3 ASP CA C 3 54.099 54.099 54.836 -0.737 19488 11 1 1 . 1 1 3 3 ASP CB C 3 41.079 41.079 41.658 -0.579 19488 12 1 1 . 1 1 3 3 ASP H H 3 8.453 8.453 8.359 0.094 19488 13 1 1 . 1 1 4 4 LEU N N 4 123.784 123.784 120.466 3.318 19488 14 1 1 . 1 1 4 4 LEU HA H 4 4.473 4.473 4.898 -0.425 19488 15 1 1 . 1 1 4 4 LEU CA C 4 52.953 52.953 51.749 1.204 19488 16 1 1 . 1 1 4 4 LEU CB C 4 41.653 41.653 44.923 -3.270 19488 17 1 1 . 1 1 4 4 LEU H H 4 8.178 8.178 7.729 0.449 19488 18 1 1 . 1 1 7 7 PRO HA H 7 4.448 4.448 4.542 -0.094 19488 19 1 1 . 1 1 7 7 PRO C C 7 174.930 174.930 176.279 -1.349 19488 20 1 1 . 1 1 7 7 PRO CA C 7 61.363 61.363 61.924 -0.561 19488 21 1 1 . 1 1 7 7 PRO CB C 7 32.014 32.014 32.736 -0.723 19488 22 1 1 . 1 1 8 8 SER N N 8 116.891 116.891 116.999 -0.108 19488 23 1 1 . 1 1 8 8 SER HA H 8 3.980 3.980 4.718 -0.738 19488 24 1 1 . 1 1 8 8 SER CA C 8 57.703 57.703 55.472 2.231 19488 25 1 1 . 1 1 8 8 SER CB C 8 62.241 62.241 64.243 -2.002 19488 26 1 1 . 1 1 8 8 SER H H 8 8.281 8.281 8.277 0.004 19488 27 1 1 . 1 1 14 14 THR C C 14 175.383 175.383 175.241 0.142 19488 28 1 1 . 1 1 15 15 ILE N N 15 126.726 126.726 122.195 4.531 19488 29 1 1 . 1 1 15 15 ILE HA H 15 4.075 4.075 3.721 0.354 19488 30 1 1 . 1 1 15 15 ILE C C 15 175.223 175.223 175.864 -0.641 19488 31 1 1 . 1 1 15 15 ILE CA C 15 60.716 60.716 61.207 -0.491 19488 32 1 1 . 1 1 15 15 ILE CB C 15 38.878 38.878 38.555 0.323 19488 33 1 1 . 1 1 15 15 ILE H H 15 8.344 8.344 7.461 0.883 19488 34 1 1 . 1 1 16 16 VAL N N 16 128.233 128.233 127.129 1.104 19488 35 1 1 . 1 1 16 16 VAL HA H 16 4.041 4.041 3.267 0.774 19488 36 1 1 . 1 1 16 16 VAL C C 16 175.413 175.413 174.576 0.837 19488 37 1 1 . 1 1 16 16 VAL CA C 16 61.884 61.884 62.935 -1.051 19488 38 1 1 . 1 1 16 16 VAL CB C 16 32.472 32.472 32.328 0.145 19488 39 1 1 . 1 1 16 16 VAL H H 16 8.374 8.374 7.916 0.458 19488 40 1 1 . 1 1 17 17 LEU N N 17 128.084 128.084 121.965 6.119 19488 41 1 1 . 1 1 17 17 LEU HA H 17 4.482 4.482 4.432 0.050 19488 42 1 1 . 1 1 17 17 LEU CA C 17 52.176 52.176 51.910 0.266 19488 43 1 1 . 1 1 17 17 LEU CB C 17 42.034 42.034 42.726 -0.692 19488 44 1 1 . 1 1 17 17 LEU H H 17 8.488 8.488 8.002 0.486 19488 45 1 1 . 1 1 19 19 PRO HA H 19 4.110 4.110 4.081 0.029 19488 46 1 1 . 1 1 19 19 PRO C C 19 176.801 176.801 176.701 0.100 19488 47 1 1 . 1 1 19 19 PRO CA C 19 63.788 63.788 64.436 -0.648 19488 48 1 1 . 1 1 19 19 PRO CB C 19 31.976 31.976 31.779 0.197 19488 49 1 1 . 1 1 20 20 ASN N N 20 111.397 111.397 114.283 -2.886 19488 50 1 1 . 1 1 20 20 ASN HA H 20 3.898 3.898 4.433 -0.535 19488 51 1 1 . 1 1 20 20 ASN C C 20 172.167 172.167 175.487 -3.320 19488 52 1 1 . 1 1 20 20 ASN CA C 20 55.054 55.054 53.569 1.485 19488 53 1 1 . 1 1 20 20 ASN CB C 20 36.712 36.712 37.566 -0.854 19488 54 1 1 . 1 1 20 20 ASN H H 20 8.516 8.516 8.306 0.210 19488 55 1 1 . 1 1 21 21 TRP N N 21 117.522 117.522 120.279 -2.757 19488 56 1 1 . 1 1 21 21 TRP HA H 21 5.006 5.006 4.549 0.457 19488 57 1 1 . 1 1 21 21 TRP C C 21 175.534 175.534 175.615 -0.081 19488 58 1 1 . 1 1 21 21 TRP CA C 21 57.056 57.056 56.855 0.201 19488 59 1 1 . 1 1 21 21 TRP CB C 21 31.558 31.558 30.415 1.143 19488 60 1 1 . 1 1 21 21 TRP H H 21 7.317 7.317 7.548 -0.231 19488 61 1 1 . 1 1 22 22 LYS N N 22 121.530 121.530 120.796 0.734 19488 62 1 1 . 1 1 22 22 LYS HA H 22 4.457 4.457 4.657 -0.200 19488 63 1 1 . 1 1 22 22 LYS C C 22 174.479 174.479 175.229 -0.750 19488 64 1 1 . 1 1 22 22 LYS CA C 22 54.265 54.265 53.444 0.821 19488 65 1 1 . 1 1 22 22 LYS CB C 22 37.342 37.342 36.502 0.840 19488 66 1 1 . 1 1 22 22 LYS H H 22 8.947 8.947 8.194 0.753 19488 67 1 1 . 1 1 23 23 THR N N 23 108.162 108.162 112.734 -4.572 19488 68 1 1 . 1 1 23 23 THR HA H 23 4.961 4.961 5.465 -0.504 19488 69 1 1 . 1 1 23 23 THR C C 23 175.581 175.581 174.150 1.431 19488 70 1 1 . 1 1 23 23 THR CA C 23 59.375 59.375 60.419 -1.044 19488 71 1 1 . 1 1 23 23 THR CB C 23 71.708 71.708 70.555 1.153 19488 72 1 1 . 1 1 23 23 THR H H 23 7.700 7.700 8.279 -0.579 19488 73 1 1 . 1 1 24 24 ALA N N 24 124.178 124.178 127.338 -3.160 19488 74 1 1 . 1 1 24 24 ALA HA H 24 4.243 4.243 4.437 -0.194 19488 75 1 1 . 1 1 24 24 ALA C C 24 173.562 173.562 174.425 -0.863 19488 76 1 1 . 1 1 24 24 ALA CA C 24 50.533 50.533 52.225 -1.692 19488 77 1 1 . 1 1 24 24 ALA CB C 24 21.856 21.856 21.490 0.366 19488 78 1 1 . 1 1 24 24 ALA H H 24 8.265 8.265 8.810 -0.545 19488 79 1 1 . 1 1 25 25 ARG N N 25 115.093 115.093 120.298 -5.205 19488 80 1 1 . 1 1 25 25 ARG HA H 25 5.222 5.222 4.174 1.048 19488 81 1 1 . 1 1 25 25 ARG C C 25 176.749 176.749 174.729 2.020 19488 82 1 1 . 1 1 25 25 ARG CA C 25 53.777 53.777 53.819 -0.042 19488 83 1 1 . 1 1 25 25 ARG CB C 25 33.601 33.601 33.734 -0.133 19488 84 1 1 . 1 1 25 25 ARG H H 25 7.866 7.866 8.272 -0.406 19488 85 1 1 . 1 1 26 26 ASP N N 26 126.621 126.621 120.264 6.357 19488 86 1 1 . 1 1 26 26 ASP HA H 26 4.849 4.849 4.642 0.207 19488 87 1 1 . 1 1 26 26 ASP CA C 26 52.625 52.625 54.175 -1.550 19488 88 1 1 . 1 1 26 26 ASP CB C 26 40.594 40.594 40.456 0.138 19488 89 1 1 . 1 1 26 26 ASP H H 26 9.377 9.377 8.674 0.703 19488 90 1 1 . 1 1 27 27 PRO HA H 27 4.305 4.305 4.279 0.026 19488 91 1 1 . 1 1 27 27 PRO C C 27 176.323 176.323 177.233 -0.910 19488 92 1 1 . 1 1 27 27 PRO CA C 27 65.656 65.656 64.236 1.420 19488 93 1 1 . 1 1 27 27 PRO CB C 27 31.959 31.959 32.078 -0.118 19488 94 1 1 . 1 1 28 28 GLU N N 28 115.086 115.086 119.371 -4.285 19488 95 1 1 . 1 1 28 28 GLU HA H 28 4.344 4.344 4.360 -0.016 19488 96 1 1 . 1 1 28 28 GLU CA C 28 55.671 55.671 55.417 0.254 19488 97 1 1 . 1 1 28 28 GLU CB C 28 30.313 30.313 28.067 2.246 19488 98 1 1 . 1 1 28 28 GLU H H 28 7.933 7.933 8.154 -0.221 19488 99 1 1 . 1 1 29 29 GLY N N 29 108.180 108.180 107.592 0.588 19488 100 1 1 . 1 1 29 29 GLY C C 29 174.929 174.929 174.990 -0.061 19488 101 1 1 . 1 1 29 29 GLY CA C 29 45.348 45.348 46.056 -0.708 19488 102 1 1 . 1 1 29 29 GLY H H 29 8.429 8.429 7.532 0.897 19488 103 1 1 . 1 1 30 30 LYS N N 30 124.331 124.331 119.572 4.759 19488 104 1 1 . 1 1 30 30 LYS C C 30 176.537 176.537 174.740 1.797 19488 105 1 1 . 1 1 30 30 LYS CA C 30 57.723 57.723 54.567 3.156 19488 106 1 1 . 1 1 30 30 LYS CB C 30 32.465 32.465 34.297 -1.832 19488 107 1 1 . 1 1 30 30 LYS H H 30 8.895 8.895 7.249 1.646 19488 108 1 1 . 1 1 31 31 ILE N N 31 125.574 125.574 119.229 6.345 19488 109 1 1 . 1 1 31 31 ILE HA H 31 4.201 4.201 4.447 -0.245 19488 110 1 1 . 1 1 31 31 ILE C C 31 174.866 174.866 174.771 0.095 19488 111 1 1 . 1 1 31 31 ILE CA C 31 61.221 61.221 58.410 2.811 19488 112 1 1 . 1 1 31 31 ILE CB C 31 39.168 39.168 40.790 -1.622 19488 113 1 1 . 1 1 31 31 ILE H H 31 8.398 8.398 8.281 0.117 19488 114 1 1 . 1 1 32 32 TYR N N 32 120.913 120.913 123.543 -2.630 19488 115 1 1 . 1 1 32 32 TYR HA H 32 4.944 4.944 4.451 0.493 19488 116 1 1 . 1 1 32 32 TYR C C 32 171.083 171.083 172.824 -1.741 19488 117 1 1 . 1 1 32 32 TYR CA C 32 55.654 55.654 55.122 0.532 19488 118 1 1 . 1 1 32 32 TYR CB C 32 39.566 39.566 39.986 -0.420 19488 119 1 1 . 1 1 32 32 TYR H H 32 8.613 8.613 7.810 0.803 19488 120 1 1 . 1 1 33 33 TYR N N 33 116.422 116.422 116.360 0.062 19488 121 1 1 . 1 1 33 33 TYR HA H 33 5.290 5.290 5.449 -0.159 19488 122 1 1 . 1 1 33 33 TYR C C 33 175.406 175.406 174.818 0.588 19488 123 1 1 . 1 1 33 33 TYR CA C 33 56.476 56.476 55.303 1.173 19488 124 1 1 . 1 1 33 33 TYR CB C 33 41.891 41.891 40.009 1.882 19488 125 1 1 . 1 1 33 33 TYR H H 33 8.644 8.644 8.197 0.447 19488 126 1 1 . 1 1 34 34 TYR N N 34 117.976 117.976 118.706 -0.730 19488 127 1 1 . 1 1 34 34 TYR HA H 34 5.954 5.954 5.168 0.786 19488 128 1 1 . 1 1 34 34 TYR C C 34 170.962 170.962 174.178 -3.216 19488 129 1 1 . 1 1 34 34 TYR CA C 34 55.440 55.440 55.379 0.061 19488 130 1 1 . 1 1 34 34 TYR CB C 34 43.569 43.569 40.614 2.955 19488 131 1 1 . 1 1 34 34 TYR H H 34 9.266 9.266 9.293 -0.027 19488 132 1 1 . 1 1 35 35 HIS N N 35 124.263 124.263 122.426 1.837 19488 133 1 1 . 1 1 35 35 HIS HA H 35 3.885 3.885 5.055 -1.170 19488 134 1 1 . 1 1 35 35 HIS C C 35 178.636 178.636 176.331 2.305 19488 135 1 1 . 1 1 35 35 HIS CA C 35 54.788 54.788 55.126 -0.338 19488 136 1 1 . 1 1 35 35 HIS CB C 35 32.272 32.272 31.030 1.242 19488 137 1 1 . 1 1 35 35 HIS H H 35 7.644 7.644 8.544 -0.900 19488 138 1 1 . 1 1 36 36 VAL N N 36 123.179 123.179 122.530 0.649 19488 139 1 1 . 1 1 36 36 VAL HA H 36 3.669 3.669 4.029 -0.360 19488 140 1 1 . 1 1 36 36 VAL C C 36 176.537 176.537 176.433 0.104 19488 141 1 1 . 1 1 36 36 VAL CA C 36 64.572 64.572 64.634 -0.062 19488 142 1 1 . 1 1 36 36 VAL CB C 36 31.914 31.914 32.244 -0.330 19488 143 1 1 . 1 1 36 36 VAL H H 36 8.503 8.503 8.603 -0.100 19488 144 1 1 . 1 1 37 37 ILE N N 37 120.710 120.710 117.298 3.412 19488 145 1 1 . 1 1 37 37 ILE HA H 37 4.113 4.113 3.924 0.189 19488 146 1 1 . 1 1 37 37 ILE C C 37 178.177 178.177 177.891 0.286 19488 147 1 1 . 1 1 37 37 ILE CA C 37 62.557 62.557 63.466 -0.909 19488 148 1 1 . 1 1 37 37 ILE CB C 37 38.116 38.116 38.067 0.049 19488 149 1 1 . 1 1 37 37 ILE H H 37 8.845 8.845 8.363 0.482 19488 150 1 1 . 1 1 38 38 THR N N 38 112.090 112.090 108.231 3.859 19488 151 1 1 . 1 1 38 38 THR HA H 38 3.939 3.939 4.202 -0.263 19488 152 1 1 . 1 1 38 38 THR C C 38 176.610 176.610 175.127 1.483 19488 153 1 1 . 1 1 38 38 THR CA C 38 63.049 63.049 62.477 0.572 19488 154 1 1 . 1 1 38 38 THR CB C 38 69.301 69.301 69.065 0.236 19488 155 1 1 . 1 1 38 38 THR H H 38 8.889 8.889 8.132 0.757 19488 156 1 1 . 1 1 39 39 ARG N N 39 113.685 113.685 117.015 -3.330 19488 157 1 1 . 1 1 39 39 ARG HA H 39 3.932 3.932 4.129 -0.197 19488 158 1 1 . 1 1 39 39 ARG C C 39 174.683 174.683 174.414 0.269 19488 159 1 1 . 1 1 39 39 ARG CA C 39 56.784 56.784 56.953 -0.169 19488 160 1 1 . 1 1 39 39 ARG CB C 39 25.977 25.977 27.149 -1.172 19488 161 1 1 . 1 1 39 39 ARG H H 39 8.059 8.059 8.008 0.051 19488 162 1 1 . 1 1 40 40 GLN N N 40 118.874 118.874 116.488 2.386 19488 163 1 1 . 1 1 40 40 GLN HA H 40 4.235 4.235 5.096 -0.861 19488 164 1 1 . 1 1 40 40 GLN C C 40 174.846 174.846 175.348 -0.502 19488 165 1 1 . 1 1 40 40 GLN CA C 40 56.092 56.092 54.291 1.801 19488 166 1 1 . 1 1 40 40 GLN CB C 40 29.485 29.485 32.986 -3.501 19488 167 1 1 . 1 1 40 40 GLN H H 40 7.689 7.689 8.129 -0.440 19488 168 1 1 . 1 1 41 41 THR N N 41 110.442 110.442 115.304 -4.862 19488 169 1 1 . 1 1 41 41 THR HA H 41 5.789 5.789 4.893 0.896 19488 170 1 1 . 1 1 41 41 THR C C 41 174.892 174.892 172.978 1.914 19488 171 1 1 . 1 1 41 41 THR CA C 41 59.109 59.109 60.165 -1.056 19488 172 1 1 . 1 1 41 41 THR CB C 41 73.064 73.064 69.564 3.500 19488 173 1 1 . 1 1 41 41 THR H H 41 8.149 8.149 8.388 -0.239 19488 174 1 1 . 1 1 42 42 GLN N N 42 113.851 113.851 126.006 -12.155 19488 175 1 1 . 1 1 42 42 GLN HA H 42 4.309 4.309 4.661 -0.352 19488 176 1 1 . 1 1 42 42 GLN C C 42 174.849 174.849 175.194 -0.345 19488 177 1 1 . 1 1 42 42 GLN CA C 42 55.340 55.340 54.606 0.734 19488 178 1 1 . 1 1 42 42 GLN CB C 42 32.221 32.221 30.670 1.551 19488 179 1 1 . 1 1 42 42 GLN H H 42 9.092 9.092 9.097 -0.005 19488 180 1 1 . 1 1 43 43 TRP N N 43 120.309 120.309 123.314 -3.005 19488 181 1 1 . 1 1 43 43 TRP C C 43 176.109 176.109 174.987 1.122 19488 182 1 1 . 1 1 43 43 TRP CA C 43 59.210 59.210 58.029 1.181 19488 183 1 1 . 1 1 43 43 TRP CB C 43 31.257 31.257 29.319 1.938 19488 184 1 1 . 1 1 43 43 TRP H H 43 8.988 8.988 8.460 0.528 19488 185 1 1 . 1 1 44 44 ASP N N 44 116.214 116.214 118.824 -2.610 19488 186 1 1 . 1 1 44 44 ASP HA H 44 5.048 5.048 4.583 0.465 19488 187 1 1 . 1 1 44 44 ASP CA C 44 51.638 51.638 53.871 -2.233 19488 188 1 1 . 1 1 44 44 ASP CB C 44 40.185 40.185 38.047 2.138 19488 189 1 1 . 1 1 44 44 ASP H H 44 7.806 7.806 7.219 0.587 19488 190 1 1 . 1 1 46 46 PRO HA H 46 3.744 3.744 4.565 -0.821 19488 191 1 1 . 1 1 46 46 PRO C C 46 175.368 175.368 176.505 -1.137 19488 192 1 1 . 1 1 46 46 PRO CA C 46 61.186 61.186 62.471 -1.286 19488 193 1 1 . 1 1 46 46 PRO CB C 46 30.471 30.471 32.688 -2.216 19488 194 1 1 . 1 1 47 47 THR N N 47 112.549 112.549 113.907 -1.358 19488 195 1 1 . 1 1 47 47 THR HA H 47 4.140 4.140 4.645 -0.505 19488 196 1 1 . 1 1 47 47 THR C C 47 174.132 174.132 175.057 -0.925 19488 197 1 1 . 1 1 47 47 THR CA C 47 60.809 60.809 62.227 -1.418 19488 198 1 1 . 1 1 47 47 THR CB C 47 70.206 70.206 69.363 0.843 19488 199 1 1 . 1 1 47 47 THR H H 47 7.706 7.706 8.272 -0.566 19488 200 1 1 . 1 1 48 48 TRP N N 48 123.411 123.411 128.441 -5.030 19488 201 1 1 . 1 1 48 48 TRP HA H 48 4.340 4.340 4.746 -0.406 19488 202 1 1 . 1 1 48 48 TRP C C 48 175.852 175.852 175.524 0.328 19488 203 1 1 . 1 1 48 48 TRP CA C 48 57.750 57.750 57.727 0.023 19488 204 1 1 . 1 1 48 48 TRP CB C 48 29.261 29.261 30.506 -1.245 19488 205 1 1 . 1 1 48 48 TRP H H 48 8.432 8.432 8.779 -0.347 19488 206 1 1 . 1 1 49 49 GLU N N 49 123.053 123.053 118.174 4.879 19488 207 1 1 . 1 1 49 49 GLU HA H 49 4.157 4.157 4.614 -0.457 19488 208 1 1 . 1 1 49 49 GLU C C 49 175.724 175.724 174.680 1.044 19488 209 1 1 . 1 1 49 49 GLU CA C 49 56.016 56.016 55.262 0.754 19488 210 1 1 . 1 1 49 49 GLU CB C 49 30.509 30.509 32.361 -1.852 19488 211 1 1 . 1 1 49 49 GLU H H 49 8.246 8.246 7.780 0.466 19488 212 1 1 . 1 1 50 50 SER N N 50 118.135 118.135 118.182 -0.047 19488 213 1 1 . 1 1 50 50 SER HA H 50 4.436 4.436 4.998 -0.562 19488 214 1 1 . 1 1 50 50 SER CA C 50 56.119 56.119 55.998 0.121 19488 215 1 1 . 1 1 50 50 SER CB C 50 63.309 63.309 63.811 -0.502 19488 216 1 1 . 1 1 50 50 SER H H 50 8.228 8.228 8.643 -0.415 19488 217 1 1 . 1 1 51 51 PRO HA H 51 4.299 4.299 4.411 -0.112 19488 218 1 1 . 1 1 51 51 PRO C C 51 177.365 177.365 178.500 -1.135 19488 219 1 1 . 1 1 51 51 PRO CA C 51 63.458 63.458 62.940 0.518 19488 220 1 1 . 1 1 51 51 PRO CB C 51 32.004 32.004 32.098 -0.094 19488 221 1 1 . 1 1 52 52 GLY N N 52 109.163 109.163 106.189 2.974 19488 222 1 1 . 1 1 52 52 GLY C C 52 173.865 173.865 176.233 -2.368 19488 223 1 1 . 1 1 52 52 GLY CA C 52 45.040 45.040 47.086 -2.046 19488 224 1 1 . 1 1 52 52 GLY H H 52 8.309 8.309 8.502 -0.193 19488 225 1 1 . 1 1 53 53 ASP N N 53 120.553 120.553 120.373 0.180 19488 226 1 1 . 1 1 53 53 ASP HA H 53 4.507 4.507 4.420 0.087 19488 227 1 1 . 1 1 53 53 ASP C C 53 176.049 176.049 177.172 -1.123 19488 228 1 1 . 1 1 53 53 ASP CA C 53 54.385 54.385 56.943 -2.558 19488 229 1 1 . 1 1 53 53 ASP CB C 53 41.202 41.202 40.776 0.426 19488 230 1 1 . 1 1 53 53 ASP H H 53 8.175 8.175 8.490 -0.315 19488 231 1 1 . 1 1 54 54 ASP N N 54 119.209 119.209 118.509 0.700 19488 232 1 1 . 1 1 54 54 ASP HA H 54 4.483 4.483 4.631 -0.148 19488 233 1 1 . 1 1 54 54 ASP C C 54 175.804 175.804 175.760 0.044 19488 234 1 1 . 1 1 54 54 ASP CA C 54 54.197 54.197 54.525 -0.328 19488 235 1 1 . 1 1 54 54 ASP CB C 54 40.934 40.934 42.395 -1.461 19488 236 1 1 . 1 1 54 54 ASP H H 54 8.287 8.287 7.761 0.526 19488 237 1 1 . 1 1 55 55 ALA N N 55 124.837 124.837 123.013 1.824 19488 238 1 1 . 1 1 55 55 ALA HA H 55 4.186 4.186 4.747 -0.561 19488 239 1 1 . 1 1 55 55 ALA C C 55 176.839 176.839 175.981 0.858 19488 240 1 1 . 1 1 55 55 ALA CA C 55 52.271 52.271 51.487 0.784 19488 241 1 1 . 1 1 55 55 ALA CB C 55 19.294 19.294 20.719 -1.425 19488 242 1 1 . 1 1 55 55 ALA H H 55 8.119 8.119 8.286 -0.167 19488 243 1 2 . 1 1 2 2 SER N N 2 117.587 117.587 114.889 2.698 19488 244 1 2 . 1 1 2 2 SER HA H 2 4.412 4.412 4.324 0.088 19488 245 1 2 . 1 1 2 2 SER C C 2 173.921 173.921 175.149 -1.228 19488 246 1 2 . 1 1 2 2 SER CA C 2 58.253 58.253 60.161 -1.908 19488 247 1 2 . 1 1 2 2 SER CB C 2 63.958 63.958 63.495 0.464 19488 248 1 2 . 1 1 2 2 SER H H 2 8.036 8.036 8.683 -0.647 19488 249 1 2 . 1 1 3 3 ASP N N 3 122.646 122.646 119.861 2.785 19488 250 1 2 . 1 1 3 3 ASP HA H 3 4.531 4.531 4.668 -0.137 19488 251 1 2 . 1 1 3 3 ASP C C 3 175.710 175.710 175.111 0.599 19488 252 1 2 . 1 1 3 3 ASP CA C 3 54.099 54.099 55.204 -1.105 19488 253 1 2 . 1 1 3 3 ASP CB C 3 41.079 41.079 41.425 -0.346 19488 254 1 2 . 1 1 3 3 ASP H H 3 8.453 8.453 8.683 -0.230 19488 255 1 2 . 1 1 4 4 LEU N N 4 123.784 123.784 116.531 7.253 19488 256 1 2 . 1 1 4 4 LEU HA H 4 4.473 4.473 4.835 -0.362 19488 257 1 2 . 1 1 4 4 LEU CA C 4 52.953 52.953 50.891 2.062 19488 258 1 2 . 1 1 4 4 LEU CB C 4 41.653 41.653 40.799 0.854 19488 259 1 2 . 1 1 4 4 LEU H H 4 8.178 8.178 7.626 0.552 19488 260 1 2 . 1 1 7 7 PRO HA H 7 4.448 4.448 4.732 -0.284 19488 261 1 2 . 1 1 7 7 PRO C C 7 174.930 174.930 176.247 -1.317 19488 262 1 2 . 1 1 7 7 PRO CA C 7 61.363 61.363 62.006 -0.643 19488 263 1 2 . 1 1 7 7 PRO CB C 7 32.014 32.014 32.699 -0.685 19488 264 1 2 . 1 1 8 8 SER N N 8 116.891 116.891 117.317 -0.426 19488 265 1 2 . 1 1 8 8 SER HA H 8 3.980 3.980 4.904 -0.924 19488 266 1 2 . 1 1 8 8 SER CA C 8 57.703 57.703 56.676 1.027 19488 267 1 2 . 1 1 8 8 SER CB C 8 62.241 62.241 62.744 -0.503 19488 268 1 2 . 1 1 8 8 SER H H 8 8.281 8.281 8.799 -0.518 19488 269 1 2 . 1 1 14 14 THR C C 14 175.383 175.383 175.333 0.050 19488 270 1 2 . 1 1 15 15 ILE N N 15 126.726 126.726 119.843 6.883 19488 271 1 2 . 1 1 15 15 ILE HA H 15 4.075 4.075 3.786 0.289 19488 272 1 2 . 1 1 15 15 ILE C C 15 175.223 175.223 174.727 0.496 19488 273 1 2 . 1 1 15 15 ILE CA C 15 60.716 60.716 61.758 -1.042 19488 274 1 2 . 1 1 15 15 ILE CB C 15 38.878 38.878 38.093 0.785 19488 275 1 2 . 1 1 15 15 ILE H H 15 8.344 8.344 7.894 0.450 19488 276 1 2 . 1 1 16 16 VAL N N 16 128.233 128.233 122.115 6.118 19488 277 1 2 . 1 1 16 16 VAL HA H 16 4.041 4.041 3.817 0.224 19488 278 1 2 . 1 1 16 16 VAL C C 16 175.413 175.413 173.951 1.462 19488 279 1 2 . 1 1 16 16 VAL CA C 16 61.884 61.884 61.709 0.175 19488 280 1 2 . 1 1 16 16 VAL CB C 16 32.472 32.472 32.542 -0.070 19488 281 1 2 . 1 1 16 16 VAL H H 16 8.374 8.374 7.887 0.487 19488 282 1 2 . 1 1 17 17 LEU N N 17 128.084 128.084 122.100 5.984 19488 283 1 2 . 1 1 17 17 LEU HA H 17 4.482 4.482 4.491 -0.009 19488 284 1 2 . 1 1 17 17 LEU CA C 17 52.176 52.176 50.787 1.389 19488 285 1 2 . 1 1 17 17 LEU CB C 17 42.034 42.034 42.441 -0.406 19488 286 1 2 . 1 1 17 17 LEU H H 17 8.488 8.488 7.792 0.696 19488 287 1 2 . 1 1 19 19 PRO HA H 19 4.110 4.110 4.308 -0.198 19488 288 1 2 . 1 1 19 19 PRO C C 19 176.801 176.801 176.409 0.392 19488 289 1 2 . 1 1 19 19 PRO CA C 19 63.788 63.788 64.217 -0.429 19488 290 1 2 . 1 1 19 19 PRO CB C 19 31.976 31.976 31.703 0.273 19488 291 1 2 . 1 1 20 20 ASN N N 20 111.397 111.397 114.550 -3.153 19488 292 1 2 . 1 1 20 20 ASN HA H 20 3.898 3.898 4.444 -0.546 19488 293 1 2 . 1 1 20 20 ASN C C 20 172.167 172.167 175.745 -3.578 19488 294 1 2 . 1 1 20 20 ASN CA C 20 55.054 55.054 54.005 1.049 19488 295 1 2 . 1 1 20 20 ASN CB C 20 36.712 36.712 37.911 -1.199 19488 296 1 2 . 1 1 20 20 ASN H H 20 8.516 8.516 8.111 0.405 19488 297 1 2 . 1 1 21 21 TRP N N 21 117.522 117.522 118.729 -1.207 19488 298 1 2 . 1 1 21 21 TRP HA H 21 5.006 5.006 4.563 0.443 19488 299 1 2 . 1 1 21 21 TRP C C 21 175.534 175.534 175.670 -0.136 19488 300 1 2 . 1 1 21 21 TRP CA C 21 57.056 57.056 56.301 0.755 19488 301 1 2 . 1 1 21 21 TRP CB C 21 31.558 31.558 30.027 1.531 19488 302 1 2 . 1 1 21 21 TRP H H 21 7.317 7.317 7.612 -0.295 19488 303 1 2 . 1 1 22 22 LYS N N 22 121.530 121.530 119.251 2.279 19488 304 1 2 . 1 1 22 22 LYS HA H 22 4.457 4.457 4.881 -0.424 19488 305 1 2 . 1 1 22 22 LYS C C 22 174.479 174.479 175.617 -1.138 19488 306 1 2 . 1 1 22 22 LYS CA C 22 54.265 54.265 53.731 0.534 19488 307 1 2 . 1 1 22 22 LYS CB C 22 37.342 37.342 35.889 1.454 19488 308 1 2 . 1 1 22 22 LYS H H 22 8.947 8.947 8.922 0.025 19488 309 1 2 . 1 1 23 23 THR N N 23 108.162 108.162 114.089 -5.927 19488 310 1 2 . 1 1 23 23 THR HA H 23 4.961 4.961 5.228 -0.267 19488 311 1 2 . 1 1 23 23 THR C C 23 175.581 175.581 173.307 2.274 19488 312 1 2 . 1 1 23 23 THR CA C 23 59.375 59.375 60.288 -0.913 19488 313 1 2 . 1 1 23 23 THR CB C 23 71.708 71.708 70.448 1.260 19488 314 1 2 . 1 1 23 23 THR H H 23 7.700 7.700 8.517 -0.817 19488 315 1 2 . 1 1 24 24 ALA N N 24 124.178 124.178 127.743 -3.565 19488 316 1 2 . 1 1 24 24 ALA HA H 24 4.243 4.243 4.505 -0.262 19488 317 1 2 . 1 1 24 24 ALA C C 24 173.562 173.562 173.424 0.138 19488 318 1 2 . 1 1 24 24 ALA CA C 24 50.533 50.533 51.541 -1.008 19488 319 1 2 . 1 1 24 24 ALA CB C 24 21.856 21.856 21.248 0.608 19488 320 1 2 . 1 1 24 24 ALA H H 24 8.265 8.265 8.762 -0.497 19488 321 1 2 . 1 1 25 25 ARG N N 25 115.093 115.093 119.895 -4.802 19488 322 1 2 . 1 1 25 25 ARG HA H 25 5.222 5.222 4.753 0.469 19488 323 1 2 . 1 1 25 25 ARG C C 25 176.749 176.749 174.825 1.924 19488 324 1 2 . 1 1 25 25 ARG CA C 25 53.777 53.777 54.380 -0.603 19488 325 1 2 . 1 1 25 25 ARG CB C 25 33.601 33.601 33.522 0.079 19488 326 1 2 . 1 1 25 25 ARG H H 25 7.866 7.866 8.125 -0.259 19488 327 1 2 . 1 1 26 26 ASP N N 26 126.621 126.621 124.518 2.103 19488 328 1 2 . 1 1 26 26 ASP HA H 26 4.849 4.849 5.011 -0.162 19488 329 1 2 . 1 1 26 26 ASP CA C 26 52.625 52.625 52.863 -0.238 19488 330 1 2 . 1 1 26 26 ASP CB C 26 40.594 40.594 41.282 -0.688 19488 331 1 2 . 1 1 26 26 ASP H H 26 9.377 9.377 8.914 0.463 19488 332 1 2 . 1 1 27 27 PRO HA H 27 4.305 4.305 4.296 0.009 19488 333 1 2 . 1 1 27 27 PRO C C 27 176.323 176.323 176.693 -0.370 19488 334 1 2 . 1 1 27 27 PRO CA C 27 65.656 65.656 64.540 1.116 19488 335 1 2 . 1 1 27 27 PRO CB C 27 31.959 31.959 31.828 0.131 19488 336 1 2 . 1 1 28 28 GLU N N 28 115.086 115.086 118.598 -3.512 19488 337 1 2 . 1 1 28 28 GLU HA H 28 4.344 4.344 4.317 0.027 19488 338 1 2 . 1 1 28 28 GLU CA C 28 55.671 55.671 55.546 0.125 19488 339 1 2 . 1 1 28 28 GLU CB C 28 30.313 30.313 28.541 1.772 19488 340 1 2 . 1 1 28 28 GLU H H 28 7.933 7.933 7.852 0.081 19488 341 1 2 . 1 1 29 29 GLY N N 29 108.180 108.180 107.800 0.380 19488 342 1 2 . 1 1 29 29 GLY C C 29 174.929 174.929 173.647 1.282 19488 343 1 2 . 1 1 29 29 GLY CA C 29 45.348 45.348 45.771 -0.423 19488 344 1 2 . 1 1 29 29 GLY H H 29 8.429 8.429 7.828 0.601 19488 345 1 2 . 1 1 30 30 LYS N N 30 124.331 124.331 119.824 4.507 19488 346 1 2 . 1 1 30 30 LYS C C 30 176.537 176.537 175.002 1.535 19488 347 1 2 . 1 1 30 30 LYS CA C 30 57.723 57.723 54.637 3.086 19488 348 1 2 . 1 1 30 30 LYS CB C 30 32.465 32.465 33.626 -1.161 19488 349 1 2 . 1 1 30 30 LYS H H 30 8.895 8.895 7.620 1.275 19488 350 1 2 . 1 1 31 31 ILE N N 31 125.574 125.574 125.696 -0.122 19488 351 1 2 . 1 1 31 31 ILE HA H 31 4.201 4.201 3.974 0.227 19488 352 1 2 . 1 1 31 31 ILE C C 31 174.866 174.866 175.147 -0.281 19488 353 1 2 . 1 1 31 31 ILE CA C 31 61.221 61.221 59.808 1.413 19488 354 1 2 . 1 1 31 31 ILE CB C 31 39.168 39.168 38.575 0.593 19488 355 1 2 . 1 1 31 31 ILE H H 31 8.398 8.398 8.384 0.014 19488 356 1 2 . 1 1 32 32 TYR N N 32 120.913 120.913 123.056 -2.143 19488 357 1 2 . 1 1 32 32 TYR HA H 32 4.944 4.944 4.780 0.164 19488 358 1 2 . 1 1 32 32 TYR C C 32 171.083 171.083 172.517 -1.434 19488 359 1 2 . 1 1 32 32 TYR CA C 32 55.654 55.654 54.892 0.762 19488 360 1 2 . 1 1 32 32 TYR CB C 32 39.566 39.566 40.306 -0.740 19488 361 1 2 . 1 1 32 32 TYR H H 32 8.613 8.613 8.699 -0.086 19488 362 1 2 . 1 1 33 33 TYR N N 33 116.422 116.422 116.698 -0.276 19488 363 1 2 . 1 1 33 33 TYR HA H 33 5.290 5.290 5.639 -0.349 19488 364 1 2 . 1 1 33 33 TYR C C 33 175.406 175.406 174.715 0.691 19488 365 1 2 . 1 1 33 33 TYR CA C 33 56.476 56.476 56.491 -0.015 19488 366 1 2 . 1 1 33 33 TYR CB C 33 41.891 41.891 41.234 0.657 19488 367 1 2 . 1 1 33 33 TYR H H 33 8.644 8.644 8.379 0.265 19488 368 1 2 . 1 1 34 34 TYR N N 34 117.976 117.976 118.865 -0.889 19488 369 1 2 . 1 1 34 34 TYR HA H 34 5.954 5.954 5.336 0.618 19488 370 1 2 . 1 1 34 34 TYR C C 34 170.962 170.962 174.232 -3.270 19488 371 1 2 . 1 1 34 34 TYR CA C 34 55.440 55.440 53.884 1.556 19488 372 1 2 . 1 1 34 34 TYR CB C 34 43.569 43.569 39.938 3.631 19488 373 1 2 . 1 1 34 34 TYR H H 34 9.266 9.266 10.060 -0.794 19488 374 1 2 . 1 1 35 35 HIS N N 35 124.263 124.263 120.783 3.480 19488 375 1 2 . 1 1 35 35 HIS HA H 35 3.885 3.885 5.071 -1.186 19488 376 1 2 . 1 1 35 35 HIS C C 35 178.636 178.636 175.481 3.155 19488 377 1 2 . 1 1 35 35 HIS CA C 35 54.788 54.788 54.644 0.144 19488 378 1 2 . 1 1 35 35 HIS CB C 35 32.272 32.272 31.643 0.629 19488 379 1 2 . 1 1 35 35 HIS H H 35 7.644 7.644 9.019 -1.375 19488 380 1 2 . 1 1 36 36 VAL N N 36 123.179 123.179 123.135 0.044 19488 381 1 2 . 1 1 36 36 VAL HA H 36 3.669 3.669 3.751 -0.082 19488 382 1 2 . 1 1 36 36 VAL C C 36 176.537 176.537 177.021 -0.484 19488 383 1 2 . 1 1 36 36 VAL CA C 36 64.572 64.572 65.698 -1.127 19488 384 1 2 . 1 1 36 36 VAL CB C 36 31.914 31.914 32.150 -0.236 19488 385 1 2 . 1 1 36 36 VAL H H 36 8.503 8.503 8.860 -0.357 19488 386 1 2 . 1 1 37 37 ILE N N 37 120.710 120.710 117.782 2.928 19488 387 1 2 . 1 1 37 37 ILE HA H 37 4.113 4.113 3.789 0.324 19488 388 1 2 . 1 1 37 37 ILE C C 37 178.177 178.177 177.887 0.290 19488 389 1 2 . 1 1 37 37 ILE CA C 37 62.557 62.557 64.772 -2.216 19488 390 1 2 . 1 1 37 37 ILE CB C 37 38.116 38.116 37.657 0.459 19488 391 1 2 . 1 1 37 37 ILE H H 37 8.845 8.845 8.343 0.502 19488 392 1 2 . 1 1 38 38 THR N N 38 112.090 112.090 110.766 1.324 19488 393 1 2 . 1 1 38 38 THR HA H 38 3.939 3.939 4.150 -0.211 19488 394 1 2 . 1 1 38 38 THR C C 38 176.610 176.610 174.837 1.773 19488 395 1 2 . 1 1 38 38 THR CA C 38 63.049 63.049 63.395 -0.346 19488 396 1 2 . 1 1 38 38 THR CB C 38 69.301 69.301 68.854 0.447 19488 397 1 2 . 1 1 38 38 THR H H 38 8.889 8.889 8.295 0.594 19488 398 1 2 . 1 1 39 39 ARG N N 39 113.685 113.685 117.303 -3.618 19488 399 1 2 . 1 1 39 39 ARG HA H 39 3.932 3.932 4.096 -0.164 19488 400 1 2 . 1 1 39 39 ARG C C 39 174.683 174.683 174.382 0.301 19488 401 1 2 . 1 1 39 39 ARG CA C 39 56.784 56.784 57.293 -0.509 19488 402 1 2 . 1 1 39 39 ARG CB C 39 25.977 25.977 26.761 -0.784 19488 403 1 2 . 1 1 39 39 ARG H H 39 8.059 8.059 7.947 0.112 19488 404 1 2 . 1 1 40 40 GLN N N 40 118.874 118.874 116.603 2.271 19488 405 1 2 . 1 1 40 40 GLN HA H 40 4.235 4.235 5.210 -0.975 19488 406 1 2 . 1 1 40 40 GLN C C 40 174.846 174.846 174.731 0.115 19488 407 1 2 . 1 1 40 40 GLN CA C 40 56.092 56.092 54.263 1.829 19488 408 1 2 . 1 1 40 40 GLN CB C 40 29.485 29.485 33.698 -4.213 19488 409 1 2 . 1 1 40 40 GLN H H 40 7.689 7.689 7.757 -0.068 19488 410 1 2 . 1 1 41 41 THR N N 41 110.442 110.442 115.934 -5.492 19488 411 1 2 . 1 1 41 41 THR HA H 41 5.789 5.789 5.040 0.749 19488 412 1 2 . 1 1 41 41 THR C C 41 174.892 174.892 172.416 2.476 19488 413 1 2 . 1 1 41 41 THR CA C 41 59.109 59.109 59.170 -0.061 19488 414 1 2 . 1 1 41 41 THR CB C 41 73.064 73.064 70.576 2.488 19488 415 1 2 . 1 1 41 41 THR H H 41 8.149 8.149 8.045 0.104 19488 416 1 2 . 1 1 42 42 GLN N N 42 113.851 113.851 124.655 -10.804 19488 417 1 2 . 1 1 42 42 GLN HA H 42 4.309 4.309 4.725 -0.416 19488 418 1 2 . 1 1 42 42 GLN C C 42 174.849 174.849 176.216 -1.367 19488 419 1 2 . 1 1 42 42 GLN CA C 42 55.340 55.340 54.493 0.847 19488 420 1 2 . 1 1 42 42 GLN CB C 42 32.221 32.221 30.989 1.232 19488 421 1 2 . 1 1 42 42 GLN H H 42 9.092 9.092 8.843 0.249 19488 422 1 2 . 1 1 43 43 TRP N N 43 120.309 120.309 122.979 -2.670 19488 423 1 2 . 1 1 43 43 TRP C C 43 176.109 176.109 175.491 0.618 19488 424 1 2 . 1 1 43 43 TRP CA C 43 59.210 59.210 57.774 1.436 19488 425 1 2 . 1 1 43 43 TRP CB C 43 31.257 31.257 29.403 1.854 19488 426 1 2 . 1 1 43 43 TRP H H 43 8.988 8.988 8.423 0.565 19488 427 1 2 . 1 1 44 44 ASP N N 44 116.214 116.214 120.158 -3.944 19488 428 1 2 . 1 1 44 44 ASP HA H 44 5.048 5.048 4.806 0.242 19488 429 1 2 . 1 1 44 44 ASP CA C 44 51.638 51.638 53.748 -2.110 19488 430 1 2 . 1 1 44 44 ASP CB C 44 40.185 40.185 39.387 0.798 19488 431 1 2 . 1 1 44 44 ASP H H 44 7.806 7.806 7.384 0.422 19488 432 1 2 . 1 1 46 46 PRO HA H 46 3.744 3.744 4.493 -0.749 19488 433 1 2 . 1 1 46 46 PRO C C 46 175.368 175.368 176.573 -1.205 19488 434 1 2 . 1 1 46 46 PRO CA C 46 61.186 61.186 62.309 -1.123 19488 435 1 2 . 1 1 46 46 PRO CB C 46 30.471 30.471 32.427 -1.956 19488 436 1 2 . 1 1 47 47 THR N N 47 112.549 112.549 112.162 0.387 19488 437 1 2 . 1 1 47 47 THR HA H 47 4.140 4.140 4.358 -0.218 19488 438 1 2 . 1 1 47 47 THR C C 47 174.132 174.132 174.356 -0.224 19488 439 1 2 . 1 1 47 47 THR CA C 47 60.809 60.809 61.956 -1.147 19488 440 1 2 . 1 1 47 47 THR CB C 47 70.206 70.206 68.361 1.845 19488 441 1 2 . 1 1 47 47 THR H H 47 7.706 7.706 8.167 -0.461 19488 442 1 2 . 1 1 48 48 TRP N N 48 123.411 123.411 127.087 -3.676 19488 443 1 2 . 1 1 48 48 TRP HA H 48 4.340 4.340 4.540 -0.200 19488 444 1 2 . 1 1 48 48 TRP C C 48 175.852 175.852 175.948 -0.096 19488 445 1 2 . 1 1 48 48 TRP CA C 48 57.750 57.750 58.327 -0.577 19488 446 1 2 . 1 1 48 48 TRP CB C 48 29.261 29.261 30.276 -1.015 19488 447 1 2 . 1 1 48 48 TRP H H 48 8.432 8.432 8.925 -0.493 19488 448 1 2 . 1 1 49 49 GLU N N 49 123.053 123.053 118.668 4.385 19488 449 1 2 . 1 1 49 49 GLU HA H 49 4.157 4.157 4.590 -0.433 19488 450 1 2 . 1 1 49 49 GLU C C 49 175.724 175.724 175.145 0.579 19488 451 1 2 . 1 1 49 49 GLU CA C 49 56.016 56.016 55.233 0.784 19488 452 1 2 . 1 1 49 49 GLU CB C 49 30.509 30.509 31.957 -1.448 19488 453 1 2 . 1 1 49 49 GLU H H 49 8.246 8.246 8.241 0.005 19488 454 1 2 . 1 1 50 50 SER N N 50 118.135 118.135 117.394 0.741 19488 455 1 2 . 1 1 50 50 SER HA H 50 4.436 4.436 4.858 -0.422 19488 456 1 2 . 1 1 50 50 SER CA C 50 56.119 56.119 56.045 0.074 19488 457 1 2 . 1 1 50 50 SER CB C 50 63.309 63.309 64.174 -0.865 19488 458 1 2 . 1 1 50 50 SER H H 50 8.228 8.228 8.223 0.005 19488 459 1 2 . 1 1 51 51 PRO HA H 51 4.299 4.299 4.468 -0.169 19488 460 1 2 . 1 1 51 51 PRO C C 51 177.365 177.365 177.932 -0.567 19488 461 1 2 . 1 1 51 51 PRO CA C 51 63.458 63.458 62.470 0.988 19488 462 1 2 . 1 1 51 51 PRO CB C 51 32.004 32.004 32.279 -0.275 19488 463 1 2 . 1 1 52 52 GLY N N 52 109.163 109.163 106.807 2.356 19488 464 1 2 . 1 1 52 52 GLY C C 52 173.865 173.865 175.374 -1.509 19488 465 1 2 . 1 1 52 52 GLY CA C 52 45.040 45.040 46.537 -1.497 19488 466 1 2 . 1 1 52 52 GLY H H 52 8.309 8.309 8.373 -0.064 19488 467 1 2 . 1 1 53 53 ASP N N 53 120.553 120.553 119.851 0.702 19488 468 1 2 . 1 1 53 53 ASP HA H 53 4.507 4.507 4.476 0.031 19488 469 1 2 . 1 1 53 53 ASP C C 53 176.049 176.049 177.008 -0.959 19488 470 1 2 . 1 1 53 53 ASP CA C 53 54.385 54.385 55.880 -1.495 19488 471 1 2 . 1 1 53 53 ASP CB C 53 41.202 41.202 40.855 0.347 19488 472 1 2 . 1 1 53 53 ASP H H 53 8.175 8.175 8.219 -0.044 19488 473 1 2 . 1 1 54 54 ASP N N 54 119.209 119.209 118.160 1.049 19488 474 1 2 . 1 1 54 54 ASP HA H 54 4.483 4.483 4.599 -0.117 19488 475 1 2 . 1 1 54 54 ASP C C 54 175.804 175.804 175.657 0.147 19488 476 1 2 . 1 1 54 54 ASP CA C 54 54.197 54.197 54.576 -0.379 19488 477 1 2 . 1 1 54 54 ASP CB C 54 40.934 40.934 41.637 -0.703 19488 478 1 2 . 1 1 54 54 ASP H H 54 8.287 8.287 8.179 0.108 19488 479 1 2 . 1 1 55 55 ALA N N 55 124.837 124.837 119.622 5.215 19488 480 1 2 . 1 1 55 55 ALA HA H 55 4.186 4.186 4.550 -0.364 19488 481 1 2 . 1 1 55 55 ALA C C 55 176.839 176.839 175.446 1.393 19488 482 1 2 . 1 1 55 55 ALA CA C 55 52.271 52.271 51.699 0.572 19488 483 1 2 . 1 1 55 55 ALA CB C 55 19.294 19.294 21.148 -1.855 19488 484 1 2 . 1 1 55 55 ALA H H 55 8.119 8.119 7.346 0.773 19488 485 1 3 . 1 1 2 2 SER N N 2 117.587 117.587 117.003 0.584 19488 486 1 3 . 1 1 2 2 SER HA H 2 4.412 4.412 4.542 -0.130 19488 487 1 3 . 1 1 2 2 SER C C 2 173.921 173.921 174.683 -0.762 19488 488 1 3 . 1 1 2 2 SER CA C 2 58.253 58.253 60.676 -2.423 19488 489 1 3 . 1 1 2 2 SER CB C 2 63.958 63.958 63.657 0.301 19488 490 1 3 . 1 1 2 2 SER H H 2 8.036 8.036 9.026 -0.990 19488 491 1 3 . 1 1 3 3 ASP N N 3 122.646 122.646 119.909 2.737 19488 492 1 3 . 1 1 3 3 ASP HA H 3 4.531 4.531 4.634 -0.103 19488 493 1 3 . 1 1 3 3 ASP C C 3 175.710 175.710 175.353 0.357 19488 494 1 3 . 1 1 3 3 ASP CA C 3 54.099 54.099 55.869 -1.770 19488 495 1 3 . 1 1 3 3 ASP CB C 3 41.079 41.079 41.592 -0.513 19488 496 1 3 . 1 1 3 3 ASP H H 3 8.453 8.453 8.708 -0.255 19488 497 1 3 . 1 1 4 4 LEU N N 4 123.784 123.784 120.074 3.710 19488 498 1 3 . 1 1 4 4 LEU HA H 4 4.473 4.473 4.963 -0.490 19488 499 1 3 . 1 1 4 4 LEU CA C 4 52.953 52.953 51.751 1.202 19488 500 1 3 . 1 1 4 4 LEU CB C 4 41.653 41.653 44.928 -3.276 19488 501 1 3 . 1 1 4 4 LEU H H 4 8.178 8.178 7.617 0.561 19488 502 1 3 . 1 1 7 7 PRO HA H 7 4.448 4.448 4.282 0.166 19488 503 1 3 . 1 1 7 7 PRO C C 7 174.930 174.930 176.116 -1.186 19488 504 1 3 . 1 1 7 7 PRO CA C 7 61.363 61.363 62.685 -1.322 19488 505 1 3 . 1 1 7 7 PRO CB C 7 32.014 32.014 31.795 0.219 19488 506 1 3 . 1 1 8 8 SER N N 8 116.891 116.891 116.531 0.360 19488 507 1 3 . 1 1 8 8 SER HA H 8 3.980 3.980 4.891 -0.911 19488 508 1 3 . 1 1 8 8 SER CA C 8 57.703 57.703 55.302 2.401 19488 509 1 3 . 1 1 8 8 SER CB C 8 62.241 62.241 63.984 -1.743 19488 510 1 3 . 1 1 8 8 SER H H 8 8.281 8.281 8.724 -0.443 19488 511 1 3 . 1 1 14 14 THR C C 14 175.383 175.383 175.096 0.287 19488 512 1 3 . 1 1 15 15 ILE N N 15 126.726 126.726 122.146 4.580 19488 513 1 3 . 1 1 15 15 ILE HA H 15 4.075 4.075 3.926 0.149 19488 514 1 3 . 1 1 15 15 ILE C C 15 175.223 175.223 176.146 -0.923 19488 515 1 3 . 1 1 15 15 ILE CA C 15 60.716 60.716 61.054 -0.338 19488 516 1 3 . 1 1 15 15 ILE CB C 15 38.878 38.878 38.604 0.274 19488 517 1 3 . 1 1 15 15 ILE H H 15 8.344 8.344 7.541 0.803 19488 518 1 3 . 1 1 16 16 VAL N N 16 128.233 128.233 126.789 1.444 19488 519 1 3 . 1 1 16 16 VAL HA H 16 4.041 4.041 4.014 0.027 19488 520 1 3 . 1 1 16 16 VAL C C 16 175.413 175.413 174.255 1.158 19488 521 1 3 . 1 1 16 16 VAL CA C 16 61.884 61.884 62.108 -0.223 19488 522 1 3 . 1 1 16 16 VAL CB C 16 32.472 32.472 32.934 -0.462 19488 523 1 3 . 1 1 16 16 VAL H H 16 8.374 8.374 8.065 0.309 19488 524 1 3 . 1 1 17 17 LEU N N 17 128.084 128.084 121.608 6.476 19488 525 1 3 . 1 1 17 17 LEU HA H 17 4.482 4.482 4.453 0.029 19488 526 1 3 . 1 1 17 17 LEU CA C 17 52.176 52.176 51.255 0.921 19488 527 1 3 . 1 1 17 17 LEU CB C 17 42.034 42.034 42.438 -0.404 19488 528 1 3 . 1 1 17 17 LEU H H 17 8.488 8.488 7.859 0.628 19488 529 1 3 . 1 1 19 19 PRO HA H 19 4.110 4.110 4.127 -0.017 19488 530 1 3 . 1 1 19 19 PRO C C 19 176.801 176.801 177.260 -0.459 19488 531 1 3 . 1 1 19 19 PRO CA C 19 63.788 63.788 64.425 -0.637 19488 532 1 3 . 1 1 19 19 PRO CB C 19 31.976 31.976 32.044 -0.068 19488 533 1 3 . 1 1 20 20 ASN N N 20 111.397 111.397 115.073 -3.676 19488 534 1 3 . 1 1 20 20 ASN HA H 20 3.898 3.898 4.417 -0.519 19488 535 1 3 . 1 1 20 20 ASN C C 20 172.167 172.167 175.638 -3.471 19488 536 1 3 . 1 1 20 20 ASN CA C 20 55.054 55.054 54.954 0.100 19488 537 1 3 . 1 1 20 20 ASN CB C 20 36.712 36.712 38.117 -1.405 19488 538 1 3 . 1 1 20 20 ASN H H 20 8.516 8.516 8.200 0.316 19488 539 1 3 . 1 1 21 21 TRP N N 21 117.522 117.522 120.884 -3.362 19488 540 1 3 . 1 1 21 21 TRP HA H 21 5.006 5.006 4.713 0.293 19488 541 1 3 . 1 1 21 21 TRP C C 21 175.534 175.534 174.922 0.612 19488 542 1 3 . 1 1 21 21 TRP CA C 21 57.056 57.056 56.631 0.425 19488 543 1 3 . 1 1 21 21 TRP CB C 21 31.558 31.558 32.342 -0.784 19488 544 1 3 . 1 1 21 21 TRP H H 21 7.317 7.317 7.489 -0.172 19488 545 1 3 . 1 1 22 22 LYS N N 22 121.530 121.530 119.259 2.271 19488 546 1 3 . 1 1 22 22 LYS HA H 22 4.457 4.457 4.559 -0.102 19488 547 1 3 . 1 1 22 22 LYS C C 22 174.479 174.479 175.262 -0.783 19488 548 1 3 . 1 1 22 22 LYS CA C 22 54.265 54.265 54.372 -0.107 19488 549 1 3 . 1 1 22 22 LYS CB C 22 37.342 37.342 34.297 3.045 19488 550 1 3 . 1 1 22 22 LYS H H 22 8.947 8.947 8.257 0.690 19488 551 1 3 . 1 1 23 23 THR N N 23 108.162 108.162 114.344 -6.182 19488 552 1 3 . 1 1 23 23 THR HA H 23 4.961 4.961 4.792 0.169 19488 553 1 3 . 1 1 23 23 THR C C 23 175.581 175.581 173.320 2.261 19488 554 1 3 . 1 1 23 23 THR CA C 23 59.375 59.375 60.211 -0.836 19488 555 1 3 . 1 1 23 23 THR CB C 23 71.708 71.708 69.249 2.459 19488 556 1 3 . 1 1 23 23 THR H H 23 7.700 7.700 8.080 -0.380 19488 557 1 3 . 1 1 24 24 ALA N N 24 124.178 124.178 127.625 -3.447 19488 558 1 3 . 1 1 24 24 ALA HA H 24 4.243 4.243 4.454 -0.211 19488 559 1 3 . 1 1 24 24 ALA C C 24 173.562 173.562 174.098 -0.536 19488 560 1 3 . 1 1 24 24 ALA CA C 24 50.533 50.533 52.062 -1.529 19488 561 1 3 . 1 1 24 24 ALA CB C 24 21.856 21.856 21.133 0.723 19488 562 1 3 . 1 1 24 24 ALA H H 24 8.265 8.265 8.890 -0.625 19488 563 1 3 . 1 1 25 25 ARG N N 25 115.093 115.093 117.974 -2.881 19488 564 1 3 . 1 1 25 25 ARG HA H 25 5.222 5.222 4.938 0.284 19488 565 1 3 . 1 1 25 25 ARG C C 25 176.749 176.749 174.940 1.809 19488 566 1 3 . 1 1 25 25 ARG CA C 25 53.777 53.777 54.540 -0.763 19488 567 1 3 . 1 1 25 25 ARG CB C 25 33.601 33.601 32.729 0.872 19488 568 1 3 . 1 1 25 25 ARG H H 25 7.866 7.866 8.329 -0.463 19488 569 1 3 . 1 1 26 26 ASP N N 26 126.621 126.621 120.037 6.584 19488 570 1 3 . 1 1 26 26 ASP HA H 26 4.849 4.849 5.063 -0.214 19488 571 1 3 . 1 1 26 26 ASP CA C 26 52.625 52.625 52.513 0.112 19488 572 1 3 . 1 1 26 26 ASP CB C 26 40.594 40.594 41.685 -1.091 19488 573 1 3 . 1 1 26 26 ASP H H 26 9.377 9.377 8.802 0.575 19488 574 1 3 . 1 1 27 27 PRO HA H 27 4.305 4.305 4.267 0.038 19488 575 1 3 . 1 1 27 27 PRO C C 27 176.323 176.323 176.707 -0.384 19488 576 1 3 . 1 1 27 27 PRO CA C 27 65.656 65.656 64.337 1.319 19488 577 1 3 . 1 1 27 27 PRO CB C 27 31.959 31.959 31.958 0.001 19488 578 1 3 . 1 1 28 28 GLU N N 28 115.086 115.086 118.995 -3.909 19488 579 1 3 . 1 1 28 28 GLU HA H 28 4.344 4.344 4.335 0.009 19488 580 1 3 . 1 1 28 28 GLU CA C 28 55.671 55.671 55.548 0.123 19488 581 1 3 . 1 1 28 28 GLU CB C 28 30.313 30.313 28.384 1.929 19488 582 1 3 . 1 1 28 28 GLU H H 28 7.933 7.933 8.129 -0.196 19488 583 1 3 . 1 1 29 29 GLY N N 29 108.180 108.180 107.362 0.818 19488 584 1 3 . 1 1 29 29 GLY C C 29 174.929 174.929 173.665 1.264 19488 585 1 3 . 1 1 29 29 GLY CA C 29 45.348 45.348 45.800 -0.452 19488 586 1 3 . 1 1 29 29 GLY H H 29 8.429 8.429 7.686 0.743 19488 587 1 3 . 1 1 30 30 LYS N N 30 124.331 124.331 119.971 4.360 19488 588 1 3 . 1 1 30 30 LYS C C 30 176.537 176.537 174.819 1.718 19488 589 1 3 . 1 1 30 30 LYS CA C 30 57.723 57.723 55.358 2.365 19488 590 1 3 . 1 1 30 30 LYS CB C 30 32.465 32.465 33.489 -1.024 19488 591 1 3 . 1 1 30 30 LYS H H 30 8.895 8.895 7.701 1.194 19488 592 1 3 . 1 1 31 31 ILE N N 31 125.574 125.574 125.574 0.000 19488 593 1 3 . 1 1 31 31 ILE HA H 31 4.201 4.201 4.156 0.045 19488 594 1 3 . 1 1 31 31 ILE C C 31 174.866 174.866 175.519 -0.653 19488 595 1 3 . 1 1 31 31 ILE CA C 31 61.221 61.221 59.553 1.667 19488 596 1 3 . 1 1 31 31 ILE CB C 31 39.168 39.168 38.781 0.387 19488 597 1 3 . 1 1 31 31 ILE H H 31 8.398 8.398 8.350 0.048 19488 598 1 3 . 1 1 32 32 TYR N N 32 120.913 120.913 122.944 -2.031 19488 599 1 3 . 1 1 32 32 TYR HA H 32 4.944 4.944 5.315 -0.371 19488 600 1 3 . 1 1 32 32 TYR C C 32 171.083 171.083 173.491 -2.408 19488 601 1 3 . 1 1 32 32 TYR CA C 32 55.654 55.654 55.854 -0.200 19488 602 1 3 . 1 1 32 32 TYR CB C 32 39.566 39.566 41.013 -1.447 19488 603 1 3 . 1 1 32 32 TYR H H 32 8.613 8.613 8.881 -0.268 19488 604 1 3 . 1 1 33 33 TYR N N 33 116.422 116.422 118.006 -1.584 19488 605 1 3 . 1 1 33 33 TYR HA H 33 5.290 5.290 4.781 0.509 19488 606 1 3 . 1 1 33 33 TYR C C 33 175.406 175.406 174.499 0.907 19488 607 1 3 . 1 1 33 33 TYR CA C 33 56.476 56.476 57.377 -0.901 19488 608 1 3 . 1 1 33 33 TYR CB C 33 41.891 41.891 40.979 0.912 19488 609 1 3 . 1 1 33 33 TYR H H 33 8.644 8.644 8.664 -0.020 19488 610 1 3 . 1 1 34 34 TYR N N 34 117.976 117.976 123.745 -5.769 19488 611 1 3 . 1 1 34 34 TYR HA H 34 5.954 5.954 5.557 0.397 19488 612 1 3 . 1 1 34 34 TYR C C 34 170.962 170.962 174.036 -3.074 19488 613 1 3 . 1 1 34 34 TYR CA C 34 55.440 55.440 55.773 -0.333 19488 614 1 3 . 1 1 34 34 TYR CB C 34 43.569 43.569 42.450 1.119 19488 615 1 3 . 1 1 34 34 TYR H H 34 9.266 9.266 9.297 -0.031 19488 616 1 3 . 1 1 35 35 HIS N N 35 124.263 124.263 125.109 -0.846 19488 617 1 3 . 1 1 35 35 HIS HA H 35 3.885 3.885 5.059 -1.174 19488 618 1 3 . 1 1 35 35 HIS C C 35 178.636 178.636 175.027 3.609 19488 619 1 3 . 1 1 35 35 HIS CA C 35 54.788 54.788 54.542 0.246 19488 620 1 3 . 1 1 35 35 HIS CB C 35 32.272 32.272 33.197 -0.925 19488 621 1 3 . 1 1 35 35 HIS H H 35 7.644 7.644 9.443 -1.799 19488 622 1 3 . 1 1 36 36 VAL N N 36 123.179 123.179 121.873 1.306 19488 623 1 3 . 1 1 36 36 VAL HA H 36 3.669 3.669 3.812 -0.143 19488 624 1 3 . 1 1 36 36 VAL C C 36 176.537 176.537 177.090 -0.553 19488 625 1 3 . 1 1 36 36 VAL CA C 36 64.572 64.572 64.784 -0.212 19488 626 1 3 . 1 1 36 36 VAL CB C 36 31.914 31.914 31.535 0.379 19488 627 1 3 . 1 1 36 36 VAL H H 36 8.503 8.503 8.803 -0.300 19488 628 1 3 . 1 1 37 37 ILE N N 37 120.710 120.710 118.719 1.991 19488 629 1 3 . 1 1 37 37 ILE HA H 37 4.113 4.113 3.881 0.232 19488 630 1 3 . 1 1 37 37 ILE C C 37 178.177 178.177 177.247 0.930 19488 631 1 3 . 1 1 37 37 ILE CA C 37 62.557 62.557 63.428 -0.871 19488 632 1 3 . 1 1 37 37 ILE CB C 37 38.116 38.116 37.492 0.624 19488 633 1 3 . 1 1 37 37 ILE H H 37 8.845 8.845 8.312 0.533 19488 634 1 3 . 1 1 38 38 THR N N 38 112.090 112.090 108.105 3.985 19488 635 1 3 . 1 1 38 38 THR HA H 38 3.939 3.939 4.187 -0.248 19488 636 1 3 . 1 1 38 38 THR C C 38 176.610 176.610 175.468 1.142 19488 637 1 3 . 1 1 38 38 THR CA C 38 63.049 63.049 62.606 0.443 19488 638 1 3 . 1 1 38 38 THR CB C 38 69.301 69.301 69.318 -0.017 19488 639 1 3 . 1 1 38 38 THR H H 38 8.889 8.889 8.064 0.825 19488 640 1 3 . 1 1 39 39 ARG N N 39 113.685 113.685 116.542 -2.857 19488 641 1 3 . 1 1 39 39 ARG HA H 39 3.932 3.932 4.195 -0.263 19488 642 1 3 . 1 1 39 39 ARG C C 39 174.683 174.683 174.286 0.397 19488 643 1 3 . 1 1 39 39 ARG CA C 39 56.784 56.784 57.197 -0.413 19488 644 1 3 . 1 1 39 39 ARG CB C 39 25.977 25.977 27.115 -1.138 19488 645 1 3 . 1 1 39 39 ARG H H 39 8.059 8.059 7.917 0.142 19488 646 1 3 . 1 1 40 40 GLN N N 40 118.874 118.874 116.793 2.081 19488 647 1 3 . 1 1 40 40 GLN HA H 40 4.235 4.235 5.555 -1.320 19488 648 1 3 . 1 1 40 40 GLN C C 40 174.846 174.846 175.223 -0.377 19488 649 1 3 . 1 1 40 40 GLN CA C 40 56.092 56.092 53.850 2.242 19488 650 1 3 . 1 1 40 40 GLN CB C 40 29.485 29.485 33.497 -4.012 19488 651 1 3 . 1 1 40 40 GLN H H 40 7.689 7.689 8.025 -0.336 19488 652 1 3 . 1 1 41 41 THR N N 41 110.442 110.442 114.447 -4.005 19488 653 1 3 . 1 1 41 41 THR HA H 41 5.789 5.789 5.441 0.348 19488 654 1 3 . 1 1 41 41 THR C C 41 174.892 174.892 174.277 0.615 19488 655 1 3 . 1 1 41 41 THR CA C 41 59.109 59.109 60.041 -0.932 19488 656 1 3 . 1 1 41 41 THR CB C 41 73.064 73.064 69.951 3.113 19488 657 1 3 . 1 1 41 41 THR H H 41 8.149 8.149 8.508 -0.359 19488 658 1 3 . 1 1 42 42 GLN N N 42 113.851 113.851 126.409 -12.558 19488 659 1 3 . 1 1 42 42 GLN HA H 42 4.309 4.309 4.577 -0.268 19488 660 1 3 . 1 1 42 42 GLN C C 42 174.849 174.849 174.980 -0.131 19488 661 1 3 . 1 1 42 42 GLN CA C 42 55.340 55.340 54.571 0.769 19488 662 1 3 . 1 1 42 42 GLN CB C 42 32.221 32.221 30.814 1.407 19488 663 1 3 . 1 1 42 42 GLN H H 42 9.092 9.092 9.205 -0.113 19488 664 1 3 . 1 1 43 43 TRP N N 43 120.309 120.309 125.627 -5.318 19488 665 1 3 . 1 1 43 43 TRP C C 43 176.109 176.109 175.427 0.682 19488 666 1 3 . 1 1 43 43 TRP CA C 43 59.210 59.210 58.112 1.098 19488 667 1 3 . 1 1 43 43 TRP CB C 43 31.257 31.257 29.386 1.871 19488 668 1 3 . 1 1 43 43 TRP H H 43 8.988 8.988 8.203 0.785 19488 669 1 3 . 1 1 44 44 ASP N N 44 116.214 116.214 120.503 -4.289 19488 670 1 3 . 1 1 44 44 ASP HA H 44 5.048 5.048 4.676 0.372 19488 671 1 3 . 1 1 44 44 ASP CA C 44 51.638 51.638 54.286 -2.648 19488 672 1 3 . 1 1 44 44 ASP CB C 44 40.185 40.185 39.209 0.977 19488 673 1 3 . 1 1 44 44 ASP H H 44 7.806 7.806 7.484 0.322 19488 674 1 3 . 1 1 46 46 PRO HA H 46 3.744 3.744 4.519 -0.775 19488 675 1 3 . 1 1 46 46 PRO C C 46 175.368 175.368 176.691 -1.323 19488 676 1 3 . 1 1 46 46 PRO CA C 46 61.186 61.186 62.461 -1.275 19488 677 1 3 . 1 1 46 46 PRO CB C 46 30.471 30.471 32.437 -1.966 19488 678 1 3 . 1 1 47 47 THR N N 47 112.549 112.549 115.183 -2.634 19488 679 1 3 . 1 1 47 47 THR HA H 47 4.140 4.140 4.536 -0.396 19488 680 1 3 . 1 1 47 47 THR C C 47 174.132 174.132 175.994 -1.862 19488 681 1 3 . 1 1 47 47 THR CA C 47 60.809 60.809 62.353 -1.544 19488 682 1 3 . 1 1 47 47 THR CB C 47 70.206 70.206 69.175 1.031 19488 683 1 3 . 1 1 47 47 THR H H 47 7.706 7.706 8.341 -0.635 19488 684 1 3 . 1 1 48 48 TRP N N 48 123.411 123.411 126.839 -3.428 19488 685 1 3 . 1 1 48 48 TRP HA H 48 4.340 4.340 4.822 -0.482 19488 686 1 3 . 1 1 48 48 TRP C C 48 175.852 175.852 175.836 0.016 19488 687 1 3 . 1 1 48 48 TRP CA C 48 57.750 57.750 57.503 0.247 19488 688 1 3 . 1 1 48 48 TRP CB C 48 29.261 29.261 29.790 -0.529 19488 689 1 3 . 1 1 48 48 TRP H H 48 8.432 8.432 9.056 -0.624 19488 690 1 3 . 1 1 49 49 GLU N N 49 123.053 123.053 118.601 4.452 19488 691 1 3 . 1 1 49 49 GLU HA H 49 4.157 4.157 4.279 -0.122 19488 692 1 3 . 1 1 49 49 GLU C C 49 175.724 175.724 174.395 1.329 19488 693 1 3 . 1 1 49 49 GLU CA C 49 56.016 56.016 54.911 1.105 19488 694 1 3 . 1 1 49 49 GLU CB C 49 30.509 30.509 32.540 -2.031 19488 695 1 3 . 1 1 49 49 GLU H H 49 8.246 8.246 7.053 1.193 19488 696 1 3 . 1 1 50 50 SER N N 50 118.135 118.135 116.721 1.414 19488 697 1 3 . 1 1 50 50 SER HA H 50 4.436 4.436 4.727 -0.291 19488 698 1 3 . 1 1 50 50 SER CA C 50 56.119 56.119 55.974 0.145 19488 699 1 3 . 1 1 50 50 SER CB C 50 63.309 63.309 64.580 -1.271 19488 700 1 3 . 1 1 50 50 SER H H 50 8.228 8.228 8.168 0.060 19488 701 1 3 . 1 1 51 51 PRO HA H 51 4.299 4.299 4.395 -0.096 19488 702 1 3 . 1 1 51 51 PRO C C 51 177.365 177.365 178.680 -1.315 19488 703 1 3 . 1 1 51 51 PRO CA C 51 63.458 63.458 63.314 0.144 19488 704 1 3 . 1 1 51 51 PRO CB C 51 32.004 32.004 31.931 0.073 19488 705 1 3 . 1 1 52 52 GLY N N 52 109.163 109.163 106.091 3.072 19488 706 1 3 . 1 1 52 52 GLY C C 52 173.865 173.865 175.727 -1.862 19488 707 1 3 . 1 1 52 52 GLY CA C 52 45.040 45.040 46.712 -1.672 19488 708 1 3 . 1 1 52 52 GLY H H 52 8.309 8.309 8.375 -0.066 19488 709 1 3 . 1 1 53 53 ASP N N 53 120.553 120.553 119.426 1.127 19488 710 1 3 . 1 1 53 53 ASP HA H 53 4.507 4.507 4.416 0.091 19488 711 1 3 . 1 1 53 53 ASP C C 53 176.049 176.049 177.058 -1.009 19488 712 1 3 . 1 1 53 53 ASP CA C 53 54.385 54.385 56.154 -1.769 19488 713 1 3 . 1 1 53 53 ASP CB C 53 41.202 41.202 40.875 0.327 19488 714 1 3 . 1 1 53 53 ASP H H 53 8.175 8.175 8.175 0.000 19488 715 1 3 . 1 1 54 54 ASP N N 54 119.209 119.209 118.782 0.427 19488 716 1 3 . 1 1 54 54 ASP HA H 54 4.483 4.483 4.577 -0.094 19488 717 1 3 . 1 1 54 54 ASP C C 54 175.804 175.804 176.376 -0.572 19488 718 1 3 . 1 1 54 54 ASP CA C 54 54.197 54.197 54.782 -0.585 19488 719 1 3 . 1 1 54 54 ASP CB C 54 40.934 40.934 42.350 -1.416 19488 720 1 3 . 1 1 54 54 ASP H H 54 8.287 8.287 7.690 0.597 19488 721 1 3 . 1 1 55 55 ALA N N 55 124.837 124.837 119.532 5.305 19488 722 1 3 . 1 1 55 55 ALA HA H 55 4.186 4.186 4.277 -0.091 19488 723 1 3 . 1 1 55 55 ALA C C 55 176.839 176.839 176.167 0.672 19488 724 1 3 . 1 1 55 55 ALA CA C 55 52.271 52.271 52.110 0.161 19488 725 1 3 . 1 1 55 55 ALA CB C 55 19.294 19.294 18.131 1.163 19488 726 1 3 . 1 1 55 55 ALA H H 55 8.119 8.119 7.562 0.557 19488 727 1 4 . 1 1 2 2 SER N N 2 117.587 117.587 114.614 2.973 19488 728 1 4 . 1 1 2 2 SER HA H 2 4.412 4.412 4.115 0.297 19488 729 1 4 . 1 1 2 2 SER C C 2 173.921 173.921 174.281 -0.360 19488 730 1 4 . 1 1 2 2 SER CA C 2 58.253 58.253 60.247 -1.994 19488 731 1 4 . 1 1 2 2 SER CB C 2 63.958 63.958 63.547 0.411 19488 732 1 4 . 1 1 2 2 SER H H 2 8.036 8.036 7.164 0.872 19488 733 1 4 . 1 1 3 3 ASP N N 3 122.646 122.646 119.575 3.071 19488 734 1 4 . 1 1 3 3 ASP HA H 3 4.531 4.531 4.565 -0.034 19488 735 1 4 . 1 1 3 3 ASP C C 3 175.710 175.710 175.170 0.540 19488 736 1 4 . 1 1 3 3 ASP CA C 3 54.099 54.099 54.780 -0.681 19488 737 1 4 . 1 1 3 3 ASP CB C 3 41.079 41.079 41.386 -0.307 19488 738 1 4 . 1 1 3 3 ASP H H 3 8.453 8.453 7.726 0.727 19488 739 1 4 . 1 1 4 4 LEU N N 4 123.784 123.784 119.120 4.664 19488 740 1 4 . 1 1 4 4 LEU HA H 4 4.473 4.473 4.723 -0.250 19488 741 1 4 . 1 1 4 4 LEU CA C 4 52.953 52.953 51.541 1.412 19488 742 1 4 . 1 1 4 4 LEU CB C 4 41.653 41.653 45.221 -3.568 19488 743 1 4 . 1 1 4 4 LEU H H 4 8.178 8.178 7.243 0.935 19488 744 1 4 . 1 1 7 7 PRO HA H 7 4.448 4.448 4.680 -0.232 19488 745 1 4 . 1 1 7 7 PRO C C 7 174.930 174.930 175.935 -1.005 19488 746 1 4 . 1 1 7 7 PRO CA C 7 61.363 61.363 62.444 -1.081 19488 747 1 4 . 1 1 7 7 PRO CB C 7 32.014 32.014 32.960 -0.946 19488 748 1 4 . 1 1 8 8 SER N N 8 116.891 116.891 116.358 0.533 19488 749 1 4 . 1 1 8 8 SER HA H 8 3.980 3.980 4.980 -1.000 19488 750 1 4 . 1 1 8 8 SER CA C 8 57.703 57.703 55.383 2.320 19488 751 1 4 . 1 1 8 8 SER CB C 8 62.241 62.241 63.909 -1.668 19488 752 1 4 . 1 1 8 8 SER H H 8 8.281 8.281 8.175 0.106 19488 753 1 4 . 1 1 14 14 THR C C 14 175.383 175.383 175.328 0.055 19488 754 1 4 . 1 1 15 15 ILE N N 15 126.726 126.726 122.924 3.802 19488 755 1 4 . 1 1 15 15 ILE HA H 15 4.075 4.075 3.976 0.099 19488 756 1 4 . 1 1 15 15 ILE C C 15 175.223 175.223 175.313 -0.090 19488 757 1 4 . 1 1 15 15 ILE CA C 15 60.716 60.716 60.349 0.367 19488 758 1 4 . 1 1 15 15 ILE CB C 15 38.878 38.878 38.783 0.094 19488 759 1 4 . 1 1 15 15 ILE H H 15 8.344 8.344 7.622 0.722 19488 760 1 4 . 1 1 16 16 VAL N N 16 128.233 128.233 128.423 -0.190 19488 761 1 4 . 1 1 16 16 VAL HA H 16 4.041 4.041 4.223 -0.182 19488 762 1 4 . 1 1 16 16 VAL C C 16 175.413 175.413 175.472 -0.059 19488 763 1 4 . 1 1 16 16 VAL CA C 16 61.884 61.884 62.210 -0.326 19488 764 1 4 . 1 1 16 16 VAL CB C 16 32.472 32.472 32.759 -0.287 19488 765 1 4 . 1 1 16 16 VAL H H 16 8.374 8.374 8.137 0.237 19488 766 1 4 . 1 1 17 17 LEU N N 17 128.084 128.084 123.242 4.842 19488 767 1 4 . 1 1 17 17 LEU HA H 17 4.482 4.482 4.633 -0.151 19488 768 1 4 . 1 1 17 17 LEU CA C 17 52.176 52.176 51.708 0.468 19488 769 1 4 . 1 1 17 17 LEU CB C 17 42.034 42.034 43.676 -1.642 19488 770 1 4 . 1 1 17 17 LEU H H 17 8.488 8.488 8.324 0.164 19488 771 1 4 . 1 1 19 19 PRO HA H 19 4.110 4.110 4.567 -0.457 19488 772 1 4 . 1 1 19 19 PRO C C 19 176.801 176.801 177.565 -0.764 19488 773 1 4 . 1 1 19 19 PRO CA C 19 63.788 63.788 64.555 -0.767 19488 774 1 4 . 1 1 19 19 PRO CB C 19 31.976 31.976 31.889 0.087 19488 775 1 4 . 1 1 20 20 ASN N N 20 111.397 111.397 116.030 -4.633 19488 776 1 4 . 1 1 20 20 ASN HA H 20 3.898 3.898 4.608 -0.710 19488 777 1 4 . 1 1 20 20 ASN C C 20 172.167 172.167 175.640 -3.473 19488 778 1 4 . 1 1 20 20 ASN CA C 20 55.054 55.054 55.242 -0.188 19488 779 1 4 . 1 1 20 20 ASN CB C 20 36.712 36.712 38.547 -1.835 19488 780 1 4 . 1 1 20 20 ASN H H 20 8.516 8.516 8.383 0.133 19488 781 1 4 . 1 1 21 21 TRP N N 21 117.522 117.522 119.756 -2.234 19488 782 1 4 . 1 1 21 21 TRP HA H 21 5.006 5.006 4.638 0.368 19488 783 1 4 . 1 1 21 21 TRP C C 21 175.534 175.534 174.459 1.075 19488 784 1 4 . 1 1 21 21 TRP CA C 21 57.056 57.056 56.505 0.551 19488 785 1 4 . 1 1 21 21 TRP CB C 21 31.558 31.558 31.347 0.211 19488 786 1 4 . 1 1 21 21 TRP H H 21 7.317 7.317 7.465 -0.148 19488 787 1 4 . 1 1 22 22 LYS N N 22 121.530 121.530 116.431 5.099 19488 788 1 4 . 1 1 22 22 LYS HA H 22 4.457 4.457 4.533 -0.076 19488 789 1 4 . 1 1 22 22 LYS C C 22 174.479 174.479 175.293 -0.814 19488 790 1 4 . 1 1 22 22 LYS CA C 22 54.265 54.265 53.360 0.905 19488 791 1 4 . 1 1 22 22 LYS CB C 22 37.342 37.342 35.084 2.258 19488 792 1 4 . 1 1 22 22 LYS H H 22 8.947 8.947 6.964 1.983 19488 793 1 4 . 1 1 23 23 THR N N 23 108.162 108.162 114.086 -5.924 19488 794 1 4 . 1 1 23 23 THR HA H 23 4.961 4.961 4.854 0.107 19488 795 1 4 . 1 1 23 23 THR C C 23 175.581 175.581 173.311 2.270 19488 796 1 4 . 1 1 23 23 THR CA C 23 59.375 59.375 60.385 -1.010 19488 797 1 4 . 1 1 23 23 THR CB C 23 71.708 71.708 69.546 2.162 19488 798 1 4 . 1 1 23 23 THR H H 23 7.700 7.700 7.945 -0.245 19488 799 1 4 . 1 1 24 24 ALA N N 24 124.178 124.178 128.981 -4.803 19488 800 1 4 . 1 1 24 24 ALA HA H 24 4.243 4.243 4.519 -0.276 19488 801 1 4 . 1 1 24 24 ALA C C 24 173.562 173.562 174.409 -0.847 19488 802 1 4 . 1 1 24 24 ALA CA C 24 50.533 50.533 51.709 -1.176 19488 803 1 4 . 1 1 24 24 ALA CB C 24 21.856 21.856 20.795 1.061 19488 804 1 4 . 1 1 24 24 ALA H H 24 8.265 8.265 9.032 -0.767 19488 805 1 4 . 1 1 25 25 ARG N N 25 115.093 115.093 119.205 -4.112 19488 806 1 4 . 1 1 25 25 ARG HA H 25 5.222 5.222 4.985 0.237 19488 807 1 4 . 1 1 25 25 ARG C C 25 176.749 176.749 174.714 2.035 19488 808 1 4 . 1 1 25 25 ARG CA C 25 53.777 53.777 54.130 -0.353 19488 809 1 4 . 1 1 25 25 ARG CB C 25 33.601 33.601 32.592 1.010 19488 810 1 4 . 1 1 25 25 ARG H H 25 7.866 7.866 8.251 -0.385 19488 811 1 4 . 1 1 26 26 ASP N N 26 126.621 126.621 120.432 6.189 19488 812 1 4 . 1 1 26 26 ASP HA H 26 4.849 4.849 5.051 -0.202 19488 813 1 4 . 1 1 26 26 ASP CA C 26 52.625 52.625 52.356 0.269 19488 814 1 4 . 1 1 26 26 ASP CB C 26 40.594 40.594 41.477 -0.882 19488 815 1 4 . 1 1 26 26 ASP H H 26 9.377 9.377 8.503 0.874 19488 816 1 4 . 1 1 27 27 PRO HA H 27 4.305 4.305 4.306 -0.001 19488 817 1 4 . 1 1 27 27 PRO C C 27 176.323 176.323 176.434 -0.111 19488 818 1 4 . 1 1 27 27 PRO CA C 27 65.656 65.656 64.777 0.879 19488 819 1 4 . 1 1 27 27 PRO CB C 27 31.959 31.959 31.909 0.050 19488 820 1 4 . 1 1 28 28 GLU N N 28 115.086 115.086 118.738 -3.652 19488 821 1 4 . 1 1 28 28 GLU HA H 28 4.344 4.344 4.302 0.042 19488 822 1 4 . 1 1 28 28 GLU CA C 28 55.671 55.671 55.055 0.616 19488 823 1 4 . 1 1 28 28 GLU CB C 28 30.313 30.313 28.141 2.172 19488 824 1 4 . 1 1 28 28 GLU H H 28 7.933 7.933 7.776 0.157 19488 825 1 4 . 1 1 29 29 GLY N N 29 108.180 108.180 106.981 1.199 19488 826 1 4 . 1 1 29 29 GLY C C 29 174.929 174.929 173.851 1.078 19488 827 1 4 . 1 1 29 29 GLY CA C 29 45.348 45.348 45.918 -0.570 19488 828 1 4 . 1 1 29 29 GLY H H 29 8.429 8.429 7.805 0.624 19488 829 1 4 . 1 1 30 30 LYS N N 30 124.331 124.331 119.658 4.673 19488 830 1 4 . 1 1 30 30 LYS C C 30 176.537 176.537 175.113 1.424 19488 831 1 4 . 1 1 30 30 LYS CA C 30 57.723 57.723 55.119 2.604 19488 832 1 4 . 1 1 30 30 LYS CB C 30 32.465 32.465 33.931 -1.466 19488 833 1 4 . 1 1 30 30 LYS H H 30 8.895 8.895 7.540 1.355 19488 834 1 4 . 1 1 31 31 ILE N N 31 125.574 125.574 124.037 1.537 19488 835 1 4 . 1 1 31 31 ILE HA H 31 4.201 4.201 4.458 -0.257 19488 836 1 4 . 1 1 31 31 ILE C C 31 174.866 174.866 175.389 -0.523 19488 837 1 4 . 1 1 31 31 ILE CA C 31 61.221 61.221 59.912 1.309 19488 838 1 4 . 1 1 31 31 ILE CB C 31 39.168 39.168 38.452 0.716 19488 839 1 4 . 1 1 31 31 ILE H H 31 8.398 8.398 8.409 -0.011 19488 840 1 4 . 1 1 32 32 TYR N N 32 120.913 120.913 124.826 -3.913 19488 841 1 4 . 1 1 32 32 TYR HA H 32 4.944 4.944 5.025 -0.081 19488 842 1 4 . 1 1 32 32 TYR C C 32 171.083 171.083 173.075 -1.992 19488 843 1 4 . 1 1 32 32 TYR CA C 32 55.654 55.654 55.621 0.033 19488 844 1 4 . 1 1 32 32 TYR CB C 32 39.566 39.566 40.810 -1.244 19488 845 1 4 . 1 1 32 32 TYR H H 32 8.613 8.613 8.793 -0.180 19488 846 1 4 . 1 1 33 33 TYR N N 33 116.422 116.422 120.901 -4.479 19488 847 1 4 . 1 1 33 33 TYR HA H 33 5.290 5.290 4.880 0.410 19488 848 1 4 . 1 1 33 33 TYR C C 33 175.406 175.406 173.626 1.780 19488 849 1 4 . 1 1 33 33 TYR CA C 33 56.476 56.476 54.913 1.563 19488 850 1 4 . 1 1 33 33 TYR CB C 33 41.891 41.891 41.616 0.275 19488 851 1 4 . 1 1 33 33 TYR H H 33 8.644 8.644 9.157 -0.513 19488 852 1 4 . 1 1 34 34 TYR N N 34 117.976 117.976 124.122 -6.146 19488 853 1 4 . 1 1 34 34 TYR HA H 34 5.954 5.954 5.381 0.573 19488 854 1 4 . 1 1 34 34 TYR C C 34 170.962 170.962 173.711 -2.749 19488 855 1 4 . 1 1 34 34 TYR CA C 34 55.440 55.440 54.860 0.580 19488 856 1 4 . 1 1 34 34 TYR CB C 34 43.569 43.569 41.202 2.368 19488 857 1 4 . 1 1 34 34 TYR H H 34 9.266 9.266 8.926 0.340 19488 858 1 4 . 1 1 35 35 HIS N N 35 124.263 124.263 121.035 3.228 19488 859 1 4 . 1 1 35 35 HIS HA H 35 3.885 3.885 5.207 -1.322 19488 860 1 4 . 1 1 35 35 HIS C C 35 178.636 178.636 175.435 3.201 19488 861 1 4 . 1 1 35 35 HIS CA C 35 54.788 54.788 55.077 -0.289 19488 862 1 4 . 1 1 35 35 HIS CB C 35 32.272 32.272 33.345 -1.073 19488 863 1 4 . 1 1 35 35 HIS H H 35 7.644 7.644 9.377 -1.733 19488 864 1 4 . 1 1 36 36 VAL N N 36 123.179 123.179 122.214 0.965 19488 865 1 4 . 1 1 36 36 VAL HA H 36 3.669 3.669 3.891 -0.222 19488 866 1 4 . 1 1 36 36 VAL C C 36 176.537 176.537 176.903 -0.366 19488 867 1 4 . 1 1 36 36 VAL CA C 36 64.572 64.572 63.822 0.750 19488 868 1 4 . 1 1 36 36 VAL CB C 36 31.914 31.914 31.675 0.239 19488 869 1 4 . 1 1 36 36 VAL H H 36 8.503 8.503 8.844 -0.341 19488 870 1 4 . 1 1 37 37 ILE N N 37 120.710 120.710 116.926 3.784 19488 871 1 4 . 1 1 37 37 ILE HA H 37 4.113 4.113 3.898 0.215 19488 872 1 4 . 1 1 37 37 ILE C C 37 178.177 178.177 177.629 0.548 19488 873 1 4 . 1 1 37 37 ILE CA C 37 62.557 62.557 63.335 -0.778 19488 874 1 4 . 1 1 37 37 ILE CB C 37 38.116 38.116 38.083 0.033 19488 875 1 4 . 1 1 37 37 ILE H H 37 8.845 8.845 8.430 0.415 19488 876 1 4 . 1 1 38 38 THR N N 38 112.090 112.090 108.255 3.835 19488 877 1 4 . 1 1 38 38 THR HA H 38 3.939 3.939 4.186 -0.247 19488 878 1 4 . 1 1 38 38 THR C C 38 176.610 176.610 175.237 1.373 19488 879 1 4 . 1 1 38 38 THR CA C 38 63.049 63.049 62.399 0.650 19488 880 1 4 . 1 1 38 38 THR CB C 38 69.301 69.301 69.425 -0.124 19488 881 1 4 . 1 1 38 38 THR H H 38 8.889 8.889 8.087 0.802 19488 882 1 4 . 1 1 39 39 ARG N N 39 113.685 113.685 117.409 -3.724 19488 883 1 4 . 1 1 39 39 ARG HA H 39 3.932 3.932 4.170 -0.238 19488 884 1 4 . 1 1 39 39 ARG C C 39 174.683 174.683 174.596 0.087 19488 885 1 4 . 1 1 39 39 ARG CA C 39 56.784 56.784 57.028 -0.244 19488 886 1 4 . 1 1 39 39 ARG CB C 39 25.977 25.977 27.178 -1.201 19488 887 1 4 . 1 1 39 39 ARG H H 39 8.059 8.059 7.778 0.281 19488 888 1 4 . 1 1 40 40 GLN N N 40 118.874 118.874 116.976 1.898 19488 889 1 4 . 1 1 40 40 GLN HA H 40 4.235 4.235 5.563 -1.328 19488 890 1 4 . 1 1 40 40 GLN C C 40 174.846 174.846 175.570 -0.724 19488 891 1 4 . 1 1 40 40 GLN CA C 40 56.092 56.092 54.210 1.882 19488 892 1 4 . 1 1 40 40 GLN CB C 40 29.485 29.485 33.387 -3.902 19488 893 1 4 . 1 1 40 40 GLN H H 40 7.689 7.689 8.239 -0.550 19488 894 1 4 . 1 1 41 41 THR N N 41 110.442 110.442 113.512 -3.070 19488 895 1 4 . 1 1 41 41 THR HA H 41 5.789 5.789 5.263 0.526 19488 896 1 4 . 1 1 41 41 THR C C 41 174.892 174.892 173.527 1.365 19488 897 1 4 . 1 1 41 41 THR CA C 41 59.109 59.109 60.475 -1.366 19488 898 1 4 . 1 1 41 41 THR CB C 41 73.064 73.064 70.615 2.449 19488 899 1 4 . 1 1 41 41 THR H H 41 8.149 8.149 8.510 -0.361 19488 900 1 4 . 1 1 42 42 GLN N N 42 113.851 113.851 125.743 -11.892 19488 901 1 4 . 1 1 42 42 GLN HA H 42 4.309 4.309 4.534 -0.225 19488 902 1 4 . 1 1 42 42 GLN C C 42 174.849 174.849 175.586 -0.737 19488 903 1 4 . 1 1 42 42 GLN CA C 42 55.340 55.340 54.935 0.405 19488 904 1 4 . 1 1 42 42 GLN CB C 42 32.221 32.221 31.218 1.003 19488 905 1 4 . 1 1 42 42 GLN H H 42 9.092 9.092 9.368 -0.276 19488 906 1 4 . 1 1 43 43 TRP N N 43 120.309 120.309 124.744 -4.435 19488 907 1 4 . 1 1 43 43 TRP C C 43 176.109 176.109 176.377 -0.268 19488 908 1 4 . 1 1 43 43 TRP CA C 43 59.210 59.210 59.212 -0.002 19488 909 1 4 . 1 1 43 43 TRP CB C 43 31.257 31.257 29.319 1.938 19488 910 1 4 . 1 1 43 43 TRP H H 43 8.988 8.988 8.175 0.813 19488 911 1 4 . 1 1 44 44 ASP N N 44 116.214 116.214 119.852 -3.638 19488 912 1 4 . 1 1 44 44 ASP HA H 44 5.048 5.048 4.959 0.089 19488 913 1 4 . 1 1 44 44 ASP CA C 44 51.638 51.638 54.332 -2.694 19488 914 1 4 . 1 1 44 44 ASP CB C 44 40.185 40.185 40.602 -0.417 19488 915 1 4 . 1 1 44 44 ASP H H 44 7.806 7.806 7.542 0.264 19488 916 1 4 . 1 1 46 46 PRO HA H 46 3.744 3.744 4.596 -0.852 19488 917 1 4 . 1 1 46 46 PRO C C 46 175.368 175.368 176.971 -1.603 19488 918 1 4 . 1 1 46 46 PRO CA C 46 61.186 61.186 62.697 -1.511 19488 919 1 4 . 1 1 46 46 PRO CB C 46 30.471 30.471 33.047 -2.576 19488 920 1 4 . 1 1 47 47 THR N N 47 112.549 112.549 115.556 -3.007 19488 921 1 4 . 1 1 47 47 THR HA H 47 4.140 4.140 4.630 -0.490 19488 922 1 4 . 1 1 47 47 THR C C 47 174.132 174.132 175.701 -1.569 19488 923 1 4 . 1 1 47 47 THR CA C 47 60.809 60.809 60.029 0.780 19488 924 1 4 . 1 1 47 47 THR CB C 47 70.206 70.206 68.484 1.722 19488 925 1 4 . 1 1 47 47 THR H H 47 7.706 7.706 8.540 -0.834 19488 926 1 4 . 1 1 48 48 TRP N N 48 123.411 123.411 122.455 0.956 19488 927 1 4 . 1 1 48 48 TRP HA H 48 4.340 4.340 4.432 -0.092 19488 928 1 4 . 1 1 48 48 TRP C C 48 175.852 175.852 174.953 0.899 19488 929 1 4 . 1 1 48 48 TRP CA C 48 57.750 57.750 59.006 -1.256 19488 930 1 4 . 1 1 48 48 TRP CB C 48 29.261 29.261 29.508 -0.247 19488 931 1 4 . 1 1 48 48 TRP H H 48 8.432 8.432 8.404 0.028 19488 932 1 4 . 1 1 49 49 GLU N N 49 123.053 123.053 115.771 7.282 19488 933 1 4 . 1 1 49 49 GLU HA H 49 4.157 4.157 4.304 -0.147 19488 934 1 4 . 1 1 49 49 GLU C C 49 175.724 175.724 174.173 1.551 19488 935 1 4 . 1 1 49 49 GLU CA C 49 56.016 56.016 55.180 0.836 19488 936 1 4 . 1 1 49 49 GLU CB C 49 30.509 30.509 33.203 -2.694 19488 937 1 4 . 1 1 49 49 GLU H H 49 8.246 8.246 6.984 1.262 19488 938 1 4 . 1 1 50 50 SER N N 50 118.135 118.135 116.994 1.141 19488 939 1 4 . 1 1 50 50 SER HA H 50 4.436 4.436 4.682 -0.246 19488 940 1 4 . 1 1 50 50 SER CA C 50 56.119 56.119 56.343 -0.224 19488 941 1 4 . 1 1 50 50 SER CB C 50 63.309 63.309 64.624 -1.315 19488 942 1 4 . 1 1 50 50 SER H H 50 8.228 8.228 8.291 -0.063 19488 943 1 4 . 1 1 51 51 PRO HA H 51 4.299 4.299 4.372 -0.073 19488 944 1 4 . 1 1 51 51 PRO C C 51 177.365 177.365 178.524 -1.159 19488 945 1 4 . 1 1 51 51 PRO CA C 51 63.458 63.458 63.661 -0.203 19488 946 1 4 . 1 1 51 51 PRO CB C 51 32.004 32.004 31.912 0.092 19488 947 1 4 . 1 1 52 52 GLY N N 52 109.163 109.163 105.843 3.320 19488 948 1 4 . 1 1 52 52 GLY C C 52 173.865 173.865 175.746 -1.881 19488 949 1 4 . 1 1 52 52 GLY CA C 52 45.040 45.040 46.733 -1.692 19488 950 1 4 . 1 1 52 52 GLY H H 52 8.309 8.309 8.452 -0.143 19488 951 1 4 . 1 1 53 53 ASP N N 53 120.553 120.553 118.562 1.991 19488 952 1 4 . 1 1 53 53 ASP HA H 53 4.507 4.507 4.345 0.162 19488 953 1 4 . 1 1 53 53 ASP C C 53 176.049 176.049 176.932 -0.883 19488 954 1 4 . 1 1 53 53 ASP CA C 53 54.385 54.385 56.562 -2.177 19488 955 1 4 . 1 1 53 53 ASP CB C 53 41.202 41.202 40.545 0.657 19488 956 1 4 . 1 1 53 53 ASP H H 53 8.175 8.175 8.004 0.171 19488 957 1 4 . 1 1 54 54 ASP N N 54 119.209 119.209 118.376 0.833 19488 958 1 4 . 1 1 54 54 ASP HA H 54 4.483 4.483 4.628 -0.145 19488 959 1 4 . 1 1 54 54 ASP C C 54 175.804 175.804 175.712 0.092 19488 960 1 4 . 1 1 54 54 ASP CA C 54 54.197 54.197 54.357 -0.160 19488 961 1 4 . 1 1 54 54 ASP CB C 54 40.934 40.934 42.415 -1.481 19488 962 1 4 . 1 1 54 54 ASP H H 54 8.287 8.287 7.687 0.600 19488 963 1 4 . 1 1 55 55 ALA N N 55 124.837 124.837 122.352 2.485 19488 964 1 4 . 1 1 55 55 ALA HA H 55 4.186 4.186 4.657 -0.471 19488 965 1 4 . 1 1 55 55 ALA C C 55 176.839 176.839 176.082 0.757 19488 966 1 4 . 1 1 55 55 ALA CA C 55 52.271 52.271 51.687 0.584 19488 967 1 4 . 1 1 55 55 ALA CB C 55 19.294 19.294 20.782 -1.488 19488 968 1 4 . 1 1 55 55 ALA H H 55 8.119 8.119 7.701 0.418 19488 969 1 5 . 1 1 2 2 SER N N 2 117.587 117.587 115.947 1.640 19488 970 1 5 . 1 1 2 2 SER HA H 2 4.412 4.412 4.324 0.088 19488 971 1 5 . 1 1 2 2 SER C C 2 173.921 173.921 174.951 -1.030 19488 972 1 5 . 1 1 2 2 SER CA C 2 58.253 58.253 60.644 -2.390 19488 973 1 5 . 1 1 2 2 SER CB C 2 63.958 63.958 63.734 0.223 19488 974 1 5 . 1 1 2 2 SER H H 2 8.036 8.036 8.882 -0.846 19488 975 1 5 . 1 1 3 3 ASP N N 3 122.646 122.646 119.258 3.388 19488 976 1 5 . 1 1 3 3 ASP HA H 3 4.531 4.531 4.706 -0.175 19488 977 1 5 . 1 1 3 3 ASP C C 3 175.710 175.710 175.905 -0.195 19488 978 1 5 . 1 1 3 3 ASP CA C 3 54.099 54.099 54.582 -0.483 19488 979 1 5 . 1 1 3 3 ASP CB C 3 41.079 41.079 41.425 -0.346 19488 980 1 5 . 1 1 3 3 ASP H H 3 8.453 8.453 8.566 -0.113 19488 981 1 5 . 1 1 4 4 LEU N N 4 123.784 123.784 120.927 2.857 19488 982 1 5 . 1 1 4 4 LEU HA H 4 4.473 4.473 4.890 -0.417 19488 983 1 5 . 1 1 4 4 LEU CA C 4 52.953 52.953 51.811 1.142 19488 984 1 5 . 1 1 4 4 LEU CB C 4 41.653 41.653 44.646 -2.993 19488 985 1 5 . 1 1 4 4 LEU H H 4 8.178 8.178 7.722 0.456 19488 986 1 5 . 1 1 7 7 PRO HA H 7 4.448 4.448 4.597 -0.149 19488 987 1 5 . 1 1 7 7 PRO C C 7 174.930 174.930 176.003 -1.073 19488 988 1 5 . 1 1 7 7 PRO CA C 7 61.363 61.363 62.373 -1.010 19488 989 1 5 . 1 1 7 7 PRO CB C 7 32.014 32.014 32.848 -0.834 19488 990 1 5 . 1 1 8 8 SER N N 8 116.891 116.891 118.109 -1.218 19488 991 1 5 . 1 1 8 8 SER HA H 8 3.980 3.980 4.946 -0.966 19488 992 1 5 . 1 1 8 8 SER CA C 8 57.703 57.703 56.034 1.669 19488 993 1 5 . 1 1 8 8 SER CB C 8 62.241 62.241 62.711 -0.470 19488 994 1 5 . 1 1 8 8 SER H H 8 8.281 8.281 8.145 0.136 19488 995 1 5 . 1 1 14 14 THR C C 14 175.383 175.383 174.925 0.458 19488 996 1 5 . 1 1 15 15 ILE N N 15 126.726 126.726 119.797 6.929 19488 997 1 5 . 1 1 15 15 ILE HA H 15 4.075 4.075 3.735 0.340 19488 998 1 5 . 1 1 15 15 ILE C C 15 175.223 175.223 174.873 0.350 19488 999 1 5 . 1 1 15 15 ILE CA C 15 60.716 60.716 61.439 -0.723 19488 1000 1 5 . 1 1 15 15 ILE CB C 15 38.878 38.878 38.523 0.355 19488 1001 1 5 . 1 1 15 15 ILE H H 15 8.344 8.344 7.672 0.672 19488 1002 1 5 . 1 1 16 16 VAL N N 16 128.233 128.233 120.334 7.899 19488 1003 1 5 . 1 1 16 16 VAL HA H 16 4.041 4.041 3.694 0.347 19488 1004 1 5 . 1 1 16 16 VAL C C 16 175.413 175.413 174.639 0.774 19488 1005 1 5 . 1 1 16 16 VAL CA C 16 61.884 61.884 62.537 -0.653 19488 1006 1 5 . 1 1 16 16 VAL CB C 16 32.472 32.472 32.093 0.379 19488 1007 1 5 . 1 1 16 16 VAL H H 16 8.374 8.374 7.903 0.471 19488 1008 1 5 . 1 1 17 17 LEU N N 17 128.084 128.084 116.774 11.310 19488 1009 1 5 . 1 1 17 17 LEU HA H 17 4.482 4.482 4.596 -0.114 19488 1010 1 5 . 1 1 17 17 LEU CA C 17 52.176 52.176 51.296 0.880 19488 1011 1 5 . 1 1 17 17 LEU CB C 17 42.034 42.034 41.686 0.348 19488 1012 1 5 . 1 1 17 17 LEU H H 17 8.488 8.488 7.686 0.802 19488 1013 1 5 . 1 1 19 19 PRO HA H 19 4.110 4.110 4.310 -0.200 19488 1014 1 5 . 1 1 19 19 PRO C C 19 176.801 176.801 177.783 -0.982 19488 1015 1 5 . 1 1 19 19 PRO CA C 19 63.788 63.788 65.123 -1.335 19488 1016 1 5 . 1 1 19 19 PRO CB C 19 31.976 31.976 31.470 0.506 19488 1017 1 5 . 1 1 20 20 ASN N N 20 111.397 111.397 114.256 -2.859 19488 1018 1 5 . 1 1 20 20 ASN HA H 20 3.898 3.898 4.648 -0.750 19488 1019 1 5 . 1 1 20 20 ASN C C 20 172.167 172.167 175.720 -3.553 19488 1020 1 5 . 1 1 20 20 ASN CA C 20 55.054 55.054 53.902 1.152 19488 1021 1 5 . 1 1 20 20 ASN CB C 20 36.712 36.712 38.268 -1.556 19488 1022 1 5 . 1 1 20 20 ASN H H 20 8.516 8.516 8.425 0.091 19488 1023 1 5 . 1 1 21 21 TRP N N 21 117.522 117.522 121.594 -4.072 19488 1024 1 5 . 1 1 21 21 TRP HA H 21 5.006 5.006 4.398 0.608 19488 1025 1 5 . 1 1 21 21 TRP C C 21 175.534 175.534 175.029 0.505 19488 1026 1 5 . 1 1 21 21 TRP CA C 21 57.056 57.056 57.386 -0.330 19488 1027 1 5 . 1 1 21 21 TRP CB C 21 31.558 31.558 30.411 1.147 19488 1028 1 5 . 1 1 21 21 TRP H H 21 7.317 7.317 8.325 -1.008 19488 1029 1 5 . 1 1 22 22 LYS N N 22 121.530 121.530 118.621 2.909 19488 1030 1 5 . 1 1 22 22 LYS HA H 22 4.457 4.457 4.322 0.135 19488 1031 1 5 . 1 1 22 22 LYS C C 22 174.479 174.479 175.170 -0.691 19488 1032 1 5 . 1 1 22 22 LYS CA C 22 54.265 54.265 53.224 1.041 19488 1033 1 5 . 1 1 22 22 LYS CB C 22 37.342 37.342 36.169 1.173 19488 1034 1 5 . 1 1 22 22 LYS H H 22 8.947 8.947 7.662 1.285 19488 1035 1 5 . 1 1 23 23 THR N N 23 108.162 108.162 112.310 -4.148 19488 1036 1 5 . 1 1 23 23 THR HA H 23 4.961 4.961 4.782 0.179 19488 1037 1 5 . 1 1 23 23 THR C C 23 175.581 175.581 173.593 1.988 19488 1038 1 5 . 1 1 23 23 THR CA C 23 59.375 59.375 60.301 -0.926 19488 1039 1 5 . 1 1 23 23 THR CB C 23 71.708 71.708 69.566 2.142 19488 1040 1 5 . 1 1 23 23 THR H H 23 7.700 7.700 7.990 -0.290 19488 1041 1 5 . 1 1 24 24 ALA N N 24 124.178 124.178 126.521 -2.343 19488 1042 1 5 . 1 1 24 24 ALA HA H 24 4.243 4.243 4.505 -0.263 19488 1043 1 5 . 1 1 24 24 ALA C C 24 173.562 173.562 173.997 -0.435 19488 1044 1 5 . 1 1 24 24 ALA CA C 24 50.533 50.533 50.540 -0.007 19488 1045 1 5 . 1 1 24 24 ALA CB C 24 21.856 21.856 22.151 -0.295 19488 1046 1 5 . 1 1 24 24 ALA H H 24 8.265 8.265 8.625 -0.360 19488 1047 1 5 . 1 1 25 25 ARG N N 25 115.093 115.093 120.348 -5.255 19488 1048 1 5 . 1 1 25 25 ARG HA H 25 5.222 5.222 4.721 0.501 19488 1049 1 5 . 1 1 25 25 ARG C C 25 176.749 176.749 174.584 2.165 19488 1050 1 5 . 1 1 25 25 ARG CA C 25 53.777 53.777 54.670 -0.893 19488 1051 1 5 . 1 1 25 25 ARG CB C 25 33.601 33.601 33.635 -0.034 19488 1052 1 5 . 1 1 25 25 ARG H H 25 7.866 7.866 8.333 -0.467 19488 1053 1 5 . 1 1 26 26 ASP N N 26 126.621 126.621 123.296 3.325 19488 1054 1 5 . 1 1 26 26 ASP HA H 26 4.849 4.849 5.062 -0.213 19488 1055 1 5 . 1 1 26 26 ASP CA C 26 52.625 52.625 52.672 -0.047 19488 1056 1 5 . 1 1 26 26 ASP CB C 26 40.594 40.594 41.679 -1.085 19488 1057 1 5 . 1 1 26 26 ASP H H 26 9.377 9.377 8.872 0.505 19488 1058 1 5 . 1 1 27 27 PRO HA H 27 4.305 4.305 4.223 0.082 19488 1059 1 5 . 1 1 27 27 PRO C C 27 176.323 176.323 177.100 -0.777 19488 1060 1 5 . 1 1 27 27 PRO CA C 27 65.656 65.656 64.632 1.024 19488 1061 1 5 . 1 1 27 27 PRO CB C 27 31.959 31.959 32.020 -0.062 19488 1062 1 5 . 1 1 28 28 GLU N N 28 115.086 115.086 118.456 -3.370 19488 1063 1 5 . 1 1 28 28 GLU HA H 28 4.344 4.344 4.344 0.000 19488 1064 1 5 . 1 1 28 28 GLU CA C 28 55.671 55.671 55.842 -0.171 19488 1065 1 5 . 1 1 28 28 GLU CB C 28 30.313 30.313 28.706 1.607 19488 1066 1 5 . 1 1 28 28 GLU H H 28 7.933 7.933 8.033 -0.100 19488 1067 1 5 . 1 1 29 29 GLY N N 29 108.180 108.180 107.513 0.667 19488 1068 1 5 . 1 1 29 29 GLY C C 29 174.929 174.929 173.856 1.073 19488 1069 1 5 . 1 1 29 29 GLY CA C 29 45.348 45.348 45.738 -0.390 19488 1070 1 5 . 1 1 29 29 GLY H H 29 8.429 8.429 7.694 0.735 19488 1071 1 5 . 1 1 30 30 LYS N N 30 124.331 124.331 120.335 3.996 19488 1072 1 5 . 1 1 30 30 LYS C C 30 176.537 176.537 175.041 1.496 19488 1073 1 5 . 1 1 30 30 LYS CA C 30 57.723 57.723 55.794 1.929 19488 1074 1 5 . 1 1 30 30 LYS CB C 30 32.465 32.465 33.253 -0.788 19488 1075 1 5 . 1 1 30 30 LYS H H 30 8.895 8.895 7.716 1.179 19488 1076 1 5 . 1 1 31 31 ILE N N 31 125.574 125.574 125.194 0.380 19488 1077 1 5 . 1 1 31 31 ILE HA H 31 4.201 4.201 3.992 0.209 19488 1078 1 5 . 1 1 31 31 ILE C C 31 174.866 174.866 175.155 -0.289 19488 1079 1 5 . 1 1 31 31 ILE CA C 31 61.221 61.221 59.626 1.595 19488 1080 1 5 . 1 1 31 31 ILE CB C 31 39.168 39.168 38.672 0.495 19488 1081 1 5 . 1 1 31 31 ILE H H 31 8.398 8.398 8.406 -0.009 19488 1082 1 5 . 1 1 32 32 TYR N N 32 120.913 120.913 123.596 -2.683 19488 1083 1 5 . 1 1 32 32 TYR HA H 32 4.944 4.944 4.852 0.092 19488 1084 1 5 . 1 1 32 32 TYR C C 32 171.083 171.083 173.012 -1.929 19488 1085 1 5 . 1 1 32 32 TYR CA C 32 55.654 55.654 55.010 0.644 19488 1086 1 5 . 1 1 32 32 TYR CB C 32 39.566 39.566 40.342 -0.776 19488 1087 1 5 . 1 1 32 32 TYR H H 32 8.613 8.613 8.668 -0.055 19488 1088 1 5 . 1 1 33 33 TYR N N 33 116.422 116.422 117.009 -0.587 19488 1089 1 5 . 1 1 33 33 TYR HA H 33 5.290 5.290 5.215 0.075 19488 1090 1 5 . 1 1 33 33 TYR C C 33 175.406 175.406 174.995 0.411 19488 1091 1 5 . 1 1 33 33 TYR CA C 33 56.476 56.476 56.245 0.231 19488 1092 1 5 . 1 1 33 33 TYR CB C 33 41.891 41.891 40.674 1.217 19488 1093 1 5 . 1 1 33 33 TYR H H 33 8.644 8.644 9.247 -0.603 19488 1094 1 5 . 1 1 34 34 TYR N N 34 117.976 117.976 120.048 -2.072 19488 1095 1 5 . 1 1 34 34 TYR HA H 34 5.954 5.954 5.521 0.433 19488 1096 1 5 . 1 1 34 34 TYR C C 34 170.962 170.962 174.498 -3.536 19488 1097 1 5 . 1 1 34 34 TYR CA C 34 55.440 55.440 55.143 0.297 19488 1098 1 5 . 1 1 34 34 TYR CB C 34 43.569 43.569 40.140 3.429 19488 1099 1 5 . 1 1 34 34 TYR H H 34 9.266 9.266 9.344 -0.078 19488 1100 1 5 . 1 1 35 35 HIS N N 35 124.263 124.263 121.780 2.483 19488 1101 1 5 . 1 1 35 35 HIS HA H 35 3.885 3.885 5.151 -1.266 19488 1102 1 5 . 1 1 35 35 HIS C C 35 178.636 178.636 175.790 2.846 19488 1103 1 5 . 1 1 35 35 HIS CA C 35 54.788 54.788 54.727 0.061 19488 1104 1 5 . 1 1 35 35 HIS CB C 35 32.272 32.272 31.247 1.025 19488 1105 1 5 . 1 1 35 35 HIS H H 35 7.644 7.644 9.117 -1.473 19488 1106 1 5 . 1 1 36 36 VAL N N 36 123.179 123.179 123.552 -0.373 19488 1107 1 5 . 1 1 36 36 VAL HA H 36 3.669 3.669 4.029 -0.360 19488 1108 1 5 . 1 1 36 36 VAL C C 36 176.537 176.537 177.217 -0.680 19488 1109 1 5 . 1 1 36 36 VAL CA C 36 64.572 64.572 64.432 0.140 19488 1110 1 5 . 1 1 36 36 VAL CB C 36 31.914 31.914 32.203 -0.289 19488 1111 1 5 . 1 1 36 36 VAL H H 36 8.503 8.503 8.686 -0.183 19488 1112 1 5 . 1 1 37 37 ILE N N 37 120.710 120.710 119.614 1.096 19488 1113 1 5 . 1 1 37 37 ILE HA H 37 4.113 4.113 3.739 0.374 19488 1114 1 5 . 1 1 37 37 ILE C C 37 178.177 178.177 178.370 -0.193 19488 1115 1 5 . 1 1 37 37 ILE CA C 37 62.557 62.557 65.011 -2.454 19488 1116 1 5 . 1 1 37 37 ILE CB C 37 38.116 38.116 37.447 0.669 19488 1117 1 5 . 1 1 37 37 ILE H H 37 8.845 8.845 7.880 0.965 19488 1118 1 5 . 1 1 38 38 THR N N 38 112.090 112.090 110.075 2.015 19488 1119 1 5 . 1 1 38 38 THR HA H 38 3.939 3.939 4.209 -0.270 19488 1120 1 5 . 1 1 38 38 THR C C 38 176.610 176.610 174.938 1.672 19488 1121 1 5 . 1 1 38 38 THR CA C 38 63.049 63.049 62.742 0.307 19488 1122 1 5 . 1 1 38 38 THR CB C 38 69.301 69.301 69.025 0.276 19488 1123 1 5 . 1 1 38 38 THR H H 38 8.889 8.889 8.291 0.598 19488 1124 1 5 . 1 1 39 39 ARG N N 39 113.685 113.685 117.958 -4.273 19488 1125 1 5 . 1 1 39 39 ARG HA H 39 3.932 3.932 4.168 -0.236 19488 1126 1 5 . 1 1 39 39 ARG C C 39 174.683 174.683 174.145 0.538 19488 1127 1 5 . 1 1 39 39 ARG CA C 39 56.784 56.784 57.312 -0.528 19488 1128 1 5 . 1 1 39 39 ARG CB C 39 25.977 25.977 26.944 -0.967 19488 1129 1 5 . 1 1 39 39 ARG H H 39 8.059 8.059 7.895 0.164 19488 1130 1 5 . 1 1 40 40 GLN N N 40 118.874 118.874 114.721 4.153 19488 1131 1 5 . 1 1 40 40 GLN HA H 40 4.235 4.235 5.562 -1.327 19488 1132 1 5 . 1 1 40 40 GLN C C 40 174.846 174.846 174.728 0.118 19488 1133 1 5 . 1 1 40 40 GLN CA C 40 56.092 56.092 53.520 2.572 19488 1134 1 5 . 1 1 40 40 GLN CB C 40 29.485 29.485 33.708 -4.223 19488 1135 1 5 . 1 1 40 40 GLN H H 40 7.689 7.689 7.999 -0.310 19488 1136 1 5 . 1 1 41 41 THR N N 41 110.442 110.442 117.185 -6.743 19488 1137 1 5 . 1 1 41 41 THR HA H 41 5.789 5.789 5.263 0.526 19488 1138 1 5 . 1 1 41 41 THR C C 41 174.892 174.892 173.360 1.532 19488 1139 1 5 . 1 1 41 41 THR CA C 41 59.109 59.109 59.755 -0.646 19488 1140 1 5 . 1 1 41 41 THR CB C 41 73.064 73.064 70.167 2.897 19488 1141 1 5 . 1 1 41 41 THR H H 41 8.149 8.149 8.153 -0.004 19488 1142 1 5 . 1 1 42 42 GLN N N 42 113.851 113.851 126.097 -12.246 19488 1143 1 5 . 1 1 42 42 GLN HA H 42 4.309 4.309 4.869 -0.560 19488 1144 1 5 . 1 1 42 42 GLN C C 42 174.849 174.849 175.813 -0.964 19488 1145 1 5 . 1 1 42 42 GLN CA C 42 55.340 55.340 54.928 0.412 19488 1146 1 5 . 1 1 42 42 GLN CB C 42 32.221 32.221 31.589 0.632 19488 1147 1 5 . 1 1 42 42 GLN H H 42 9.092 9.092 9.059 0.033 19488 1148 1 5 . 1 1 43 43 TRP N N 43 120.309 120.309 122.544 -2.235 19488 1149 1 5 . 1 1 43 43 TRP C C 43 176.109 176.109 175.540 0.569 19488 1150 1 5 . 1 1 43 43 TRP CA C 43 59.210 59.210 58.642 0.568 19488 1151 1 5 . 1 1 43 43 TRP CB C 43 31.257 31.257 29.788 1.469 19488 1152 1 5 . 1 1 43 43 TRP H H 43 8.988 8.988 8.826 0.162 19488 1153 1 5 . 1 1 44 44 ASP N N 44 116.214 116.214 119.230 -3.016 19488 1154 1 5 . 1 1 44 44 ASP HA H 44 5.048 5.048 4.484 0.564 19488 1155 1 5 . 1 1 44 44 ASP CA C 44 51.638 51.638 53.391 -1.753 19488 1156 1 5 . 1 1 44 44 ASP CB C 44 40.185 40.185 39.041 1.144 19488 1157 1 5 . 1 1 44 44 ASP H H 44 7.806 7.806 7.316 0.490 19488 1158 1 5 . 1 1 46 46 PRO HA H 46 3.744 3.744 4.388 -0.644 19488 1159 1 5 . 1 1 46 46 PRO C C 46 175.368 175.368 176.688 -1.320 19488 1160 1 5 . 1 1 46 46 PRO CA C 46 61.186 61.186 62.440 -1.254 19488 1161 1 5 . 1 1 46 46 PRO CB C 46 30.471 30.471 32.628 -2.157 19488 1162 1 5 . 1 1 47 47 THR N N 47 112.549 112.549 113.022 -0.473 19488 1163 1 5 . 1 1 47 47 THR HA H 47 4.140 4.140 4.277 -0.137 19488 1164 1 5 . 1 1 47 47 THR C C 47 174.132 174.132 174.767 -0.635 19488 1165 1 5 . 1 1 47 47 THR CA C 47 60.809 60.809 60.708 0.101 19488 1166 1 5 . 1 1 47 47 THR CB C 47 70.206 70.206 69.553 0.653 19488 1167 1 5 . 1 1 47 47 THR H H 47 7.706 7.706 8.153 -0.447 19488 1168 1 5 . 1 1 48 48 TRP N N 48 123.411 123.411 127.984 -4.573 19488 1169 1 5 . 1 1 48 48 TRP HA H 48 4.340 4.340 4.516 -0.176 19488 1170 1 5 . 1 1 48 48 TRP C C 48 175.852 175.852 175.706 0.146 19488 1171 1 5 . 1 1 48 48 TRP CA C 48 57.750 57.750 58.202 -0.452 19488 1172 1 5 . 1 1 48 48 TRP CB C 48 29.261 29.261 30.172 -0.911 19488 1173 1 5 . 1 1 48 48 TRP H H 48 8.432 8.432 8.526 -0.094 19488 1174 1 5 . 1 1 49 49 GLU N N 49 123.053 123.053 117.583 5.470 19488 1175 1 5 . 1 1 49 49 GLU HA H 49 4.157 4.157 4.578 -0.421 19488 1176 1 5 . 1 1 49 49 GLU C C 49 175.724 175.724 174.688 1.036 19488 1177 1 5 . 1 1 49 49 GLU CA C 49 56.016 56.016 55.487 0.529 19488 1178 1 5 . 1 1 49 49 GLU CB C 49 30.509 30.509 33.594 -3.085 19488 1179 1 5 . 1 1 49 49 GLU H H 49 8.246 8.246 7.495 0.751 19488 1180 1 5 . 1 1 50 50 SER N N 50 118.135 118.135 116.410 1.725 19488 1181 1 5 . 1 1 50 50 SER HA H 50 4.436 4.436 5.066 -0.630 19488 1182 1 5 . 1 1 50 50 SER CA C 50 56.119 56.119 55.588 0.531 19488 1183 1 5 . 1 1 50 50 SER CB C 50 63.309 63.309 63.800 -0.491 19488 1184 1 5 . 1 1 50 50 SER H H 50 8.228 8.228 8.595 -0.367 19488 1185 1 5 . 1 1 51 51 PRO HA H 51 4.299 4.299 4.567 -0.268 19488 1186 1 5 . 1 1 51 51 PRO C C 51 177.365 177.365 178.625 -1.260 19488 1187 1 5 . 1 1 51 51 PRO CA C 51 63.458 63.458 63.236 0.222 19488 1188 1 5 . 1 1 51 51 PRO CB C 51 32.004 32.004 32.290 -0.286 19488 1189 1 5 . 1 1 52 52 GLY N N 52 109.163 109.163 106.023 3.140 19488 1190 1 5 . 1 1 52 52 GLY C C 52 173.865 173.865 175.825 -1.960 19488 1191 1 5 . 1 1 52 52 GLY CA C 52 45.040 45.040 46.972 -1.932 19488 1192 1 5 . 1 1 52 52 GLY H H 52 8.309 8.309 8.489 -0.180 19488 1193 1 5 . 1 1 53 53 ASP N N 53 120.553 120.553 119.600 0.953 19488 1194 1 5 . 1 1 53 53 ASP HA H 53 4.507 4.507 4.404 0.103 19488 1195 1 5 . 1 1 53 53 ASP C C 53 176.049 176.049 177.369 -1.320 19488 1196 1 5 . 1 1 53 53 ASP CA C 53 54.385 54.385 56.843 -2.458 19488 1197 1 5 . 1 1 53 53 ASP CB C 53 41.202 41.202 40.660 0.542 19488 1198 1 5 . 1 1 53 53 ASP H H 53 8.175 8.175 8.500 -0.325 19488 1199 1 5 . 1 1 54 54 ASP N N 54 119.209 119.209 118.776 0.433 19488 1200 1 5 . 1 1 54 54 ASP HA H 54 4.483 4.483 4.630 -0.147 19488 1201 1 5 . 1 1 54 54 ASP C C 54 175.804 175.804 176.022 -0.218 19488 1202 1 5 . 1 1 54 54 ASP CA C 54 54.197 54.197 54.757 -0.560 19488 1203 1 5 . 1 1 54 54 ASP CB C 54 40.934 40.934 41.993 -1.059 19488 1204 1 5 . 1 1 54 54 ASP H H 54 8.287 8.287 7.717 0.570 19488 1205 1 5 . 1 1 55 55 ALA N N 55 124.837 124.837 123.389 1.448 19488 1206 1 5 . 1 1 55 55 ALA HA H 55 4.186 4.186 4.563 -0.377 19488 1207 1 5 . 1 1 55 55 ALA C C 55 176.839 176.839 176.258 0.581 19488 1208 1 5 . 1 1 55 55 ALA CA C 55 52.271 52.271 52.592 -0.321 19488 1209 1 5 . 1 1 55 55 ALA CB C 55 19.294 19.294 18.469 0.825 19488 1210 1 5 . 1 1 55 55 ALA H H 55 8.119 8.119 7.681 0.438 19488 1211 1 6 . 1 1 2 2 SER N N 2 117.587 117.587 118.878 -1.291 19488 1212 1 6 . 1 1 2 2 SER HA H 2 4.412 4.412 4.113 0.299 19488 1213 1 6 . 1 1 2 2 SER C C 2 173.921 173.921 174.575 -0.654 19488 1214 1 6 . 1 1 2 2 SER CA C 2 58.253 58.253 60.405 -2.152 19488 1215 1 6 . 1 1 2 2 SER CB C 2 63.958 63.958 63.297 0.661 19488 1216 1 6 . 1 1 2 2 SER H H 2 8.036 8.036 8.187 -0.151 19488 1217 1 6 . 1 1 3 3 ASP N N 3 122.646 122.646 119.739 2.907 19488 1218 1 6 . 1 1 3 3 ASP HA H 3 4.531 4.531 4.572 -0.041 19488 1219 1 6 . 1 1 3 3 ASP C C 3 175.710 175.710 175.489 0.221 19488 1220 1 6 . 1 1 3 3 ASP CA C 3 54.099 54.099 54.991 -0.892 19488 1221 1 6 . 1 1 3 3 ASP CB C 3 41.079 41.079 41.817 -0.738 19488 1222 1 6 . 1 1 3 3 ASP H H 3 8.453 8.453 8.298 0.155 19488 1223 1 6 . 1 1 4 4 LEU N N 4 123.784 123.784 119.374 4.410 19488 1224 1 6 . 1 1 4 4 LEU HA H 4 4.473 4.473 4.691 -0.218 19488 1225 1 6 . 1 1 4 4 LEU CA C 4 52.953 52.953 51.631 1.322 19488 1226 1 6 . 1 1 4 4 LEU CB C 4 41.653 41.653 44.512 -2.859 19488 1227 1 6 . 1 1 4 4 LEU H H 4 8.178 8.178 7.189 0.989 19488 1228 1 6 . 1 1 7 7 PRO HA H 7 4.448 4.448 4.765 -0.317 19488 1229 1 6 . 1 1 7 7 PRO C C 7 174.930 174.930 176.140 -1.210 19488 1230 1 6 . 1 1 7 7 PRO CA C 7 61.363 61.363 62.281 -0.918 19488 1231 1 6 . 1 1 7 7 PRO CB C 7 32.014 32.014 32.883 -0.869 19488 1232 1 6 . 1 1 8 8 SER N N 8 116.891 116.891 117.463 -0.572 19488 1233 1 6 . 1 1 8 8 SER HA H 8 3.980 3.980 4.939 -0.959 19488 1234 1 6 . 1 1 8 8 SER CA C 8 57.703 57.703 56.495 1.208 19488 1235 1 6 . 1 1 8 8 SER CB C 8 62.241 62.241 63.122 -0.881 19488 1236 1 6 . 1 1 8 8 SER H H 8 8.281 8.281 8.138 0.143 19488 1237 1 6 . 1 1 14 14 THR C C 14 175.383 175.383 173.677 1.706 19488 1238 1 6 . 1 1 15 15 ILE N N 15 126.726 126.726 121.696 5.030 19488 1239 1 6 . 1 1 15 15 ILE HA H 15 4.075 4.075 3.896 0.179 19488 1240 1 6 . 1 1 15 15 ILE C C 15 175.223 175.223 175.980 -0.757 19488 1241 1 6 . 1 1 15 15 ILE CA C 15 60.716 60.716 61.022 -0.305 19488 1242 1 6 . 1 1 15 15 ILE CB C 15 38.878 38.878 38.523 0.355 19488 1243 1 6 . 1 1 15 15 ILE H H 15 8.344 8.344 7.696 0.648 19488 1244 1 6 . 1 1 16 16 VAL N N 16 128.233 128.233 126.554 1.679 19488 1245 1 6 . 1 1 16 16 VAL HA H 16 4.041 4.041 4.215 -0.174 19488 1246 1 6 . 1 1 16 16 VAL C C 16 175.413 175.413 174.613 0.800 19488 1247 1 6 . 1 1 16 16 VAL CA C 16 61.884 61.884 61.301 0.583 19488 1248 1 6 . 1 1 16 16 VAL CB C 16 32.472 32.472 32.684 -0.212 19488 1249 1 6 . 1 1 16 16 VAL H H 16 8.374 8.374 8.045 0.329 19488 1250 1 6 . 1 1 17 17 LEU N N 17 128.084 128.084 120.453 7.631 19488 1251 1 6 . 1 1 17 17 LEU HA H 17 4.482 4.482 4.507 -0.025 19488 1252 1 6 . 1 1 17 17 LEU CA C 17 52.176 52.176 50.934 1.242 19488 1253 1 6 . 1 1 17 17 LEU CB C 17 42.034 42.034 42.027 0.007 19488 1254 1 6 . 1 1 17 17 LEU H H 17 8.488 8.488 7.789 0.699 19488 1255 1 6 . 1 1 19 19 PRO HA H 19 4.110 4.110 4.481 -0.371 19488 1256 1 6 . 1 1 19 19 PRO C C 19 176.801 176.801 177.188 -0.387 19488 1257 1 6 . 1 1 19 19 PRO CA C 19 63.788 63.788 64.427 -0.639 19488 1258 1 6 . 1 1 19 19 PRO CB C 19 31.976 31.976 32.041 -0.065 19488 1259 1 6 . 1 1 20 20 ASN N N 20 111.397 111.397 114.454 -3.057 19488 1260 1 6 . 1 1 20 20 ASN HA H 20 3.898 3.898 4.516 -0.618 19488 1261 1 6 . 1 1 20 20 ASN C C 20 172.167 172.167 175.168 -3.001 19488 1262 1 6 . 1 1 20 20 ASN CA C 20 55.054 55.054 55.027 0.027 19488 1263 1 6 . 1 1 20 20 ASN CB C 20 36.712 36.712 38.255 -1.543 19488 1264 1 6 . 1 1 20 20 ASN H H 20 8.516 8.516 8.177 0.339 19488 1265 1 6 . 1 1 21 21 TRP N N 21 117.522 117.522 122.511 -4.989 19488 1266 1 6 . 1 1 21 21 TRP HA H 21 5.006 5.006 4.815 0.191 19488 1267 1 6 . 1 1 21 21 TRP C C 21 175.534 175.534 175.763 -0.229 19488 1268 1 6 . 1 1 21 21 TRP CA C 21 57.056 57.056 56.141 0.915 19488 1269 1 6 . 1 1 21 21 TRP CB C 21 31.558 31.558 31.379 0.179 19488 1270 1 6 . 1 1 21 21 TRP H H 21 7.317 7.317 7.629 -0.312 19488 1271 1 6 . 1 1 22 22 LYS N N 22 121.530 121.530 119.505 2.025 19488 1272 1 6 . 1 1 22 22 LYS HA H 22 4.457 4.457 4.937 -0.480 19488 1273 1 6 . 1 1 22 22 LYS C C 22 174.479 174.479 175.625 -1.146 19488 1274 1 6 . 1 1 22 22 LYS CA C 22 54.265 54.265 53.831 0.434 19488 1275 1 6 . 1 1 22 22 LYS CB C 22 37.342 37.342 35.692 1.650 19488 1276 1 6 . 1 1 22 22 LYS H H 22 8.947 8.947 8.050 0.897 19488 1277 1 6 . 1 1 23 23 THR N N 23 108.162 108.162 112.532 -4.370 19488 1278 1 6 . 1 1 23 23 THR HA H 23 4.961 4.961 4.689 0.272 19488 1279 1 6 . 1 1 23 23 THR C C 23 175.581 175.581 173.407 2.174 19488 1280 1 6 . 1 1 23 23 THR CA C 23 59.375 59.375 61.012 -1.637 19488 1281 1 6 . 1 1 23 23 THR CB C 23 71.708 71.708 69.186 2.522 19488 1282 1 6 . 1 1 23 23 THR H H 23 7.700 7.700 8.298 -0.598 19488 1283 1 6 . 1 1 24 24 ALA N N 24 124.178 124.178 128.008 -3.830 19488 1284 1 6 . 1 1 24 24 ALA HA H 24 4.243 4.243 4.436 -0.193 19488 1285 1 6 . 1 1 24 24 ALA C C 24 173.562 173.562 174.310 -0.748 19488 1286 1 6 . 1 1 24 24 ALA CA C 24 50.533 50.533 49.691 0.842 19488 1287 1 6 . 1 1 24 24 ALA CB C 24 21.856 21.856 21.646 0.210 19488 1288 1 6 . 1 1 24 24 ALA H H 24 8.265 8.265 7.764 0.501 19488 1289 1 6 . 1 1 25 25 ARG N N 25 115.093 115.093 118.857 -3.764 19488 1290 1 6 . 1 1 25 25 ARG HA H 25 5.222 5.222 4.477 0.745 19488 1291 1 6 . 1 1 25 25 ARG C C 25 176.749 176.749 174.888 1.861 19488 1292 1 6 . 1 1 25 25 ARG CA C 25 53.777 53.777 54.440 -0.663 19488 1293 1 6 . 1 1 25 25 ARG CB C 25 33.601 33.601 33.580 0.022 19488 1294 1 6 . 1 1 25 25 ARG H H 25 7.866 7.866 8.027 -0.161 19488 1295 1 6 . 1 1 26 26 ASP N N 26 126.621 126.621 120.998 5.623 19488 1296 1 6 . 1 1 26 26 ASP HA H 26 4.849 4.849 4.994 -0.145 19488 1297 1 6 . 1 1 26 26 ASP CA C 26 52.625 52.625 52.093 0.532 19488 1298 1 6 . 1 1 26 26 ASP CB C 26 40.594 40.594 41.034 -0.440 19488 1299 1 6 . 1 1 26 26 ASP H H 26 9.377 9.377 8.710 0.667 19488 1300 1 6 . 1 1 27 27 PRO HA H 27 4.305 4.305 4.351 -0.046 19488 1301 1 6 . 1 1 27 27 PRO C C 27 176.323 176.323 176.753 -0.430 19488 1302 1 6 . 1 1 27 27 PRO CA C 27 65.656 65.656 64.188 1.468 19488 1303 1 6 . 1 1 27 27 PRO CB C 27 31.959 31.959 32.079 -0.120 19488 1304 1 6 . 1 1 28 28 GLU N N 28 115.086 115.086 117.834 -2.748 19488 1305 1 6 . 1 1 28 28 GLU HA H 28 4.344 4.344 4.368 -0.024 19488 1306 1 6 . 1 1 28 28 GLU CA C 28 55.671 55.671 55.520 0.151 19488 1307 1 6 . 1 1 28 28 GLU CB C 28 30.313 30.313 27.769 2.544 19488 1308 1 6 . 1 1 28 28 GLU H H 28 7.933 7.933 7.944 -0.011 19488 1309 1 6 . 1 1 29 29 GLY N N 29 108.180 108.180 107.018 1.162 19488 1310 1 6 . 1 1 29 29 GLY C C 29 174.929 174.929 174.374 0.555 19488 1311 1 6 . 1 1 29 29 GLY CA C 29 45.348 45.348 45.844 -0.496 19488 1312 1 6 . 1 1 29 29 GLY H H 29 8.429 8.429 7.606 0.823 19488 1313 1 6 . 1 1 30 30 LYS N N 30 124.331 124.331 119.796 4.535 19488 1314 1 6 . 1 1 30 30 LYS C C 30 176.537 176.537 175.390 1.147 19488 1315 1 6 . 1 1 30 30 LYS CA C 30 57.723 57.723 56.066 1.657 19488 1316 1 6 . 1 1 30 30 LYS CB C 30 32.465 32.465 32.950 -0.485 19488 1317 1 6 . 1 1 30 30 LYS H H 30 8.895 8.895 7.642 1.253 19488 1318 1 6 . 1 1 31 31 ILE N N 31 125.574 125.574 122.971 2.603 19488 1319 1 6 . 1 1 31 31 ILE HA H 31 4.201 4.201 4.454 -0.253 19488 1320 1 6 . 1 1 31 31 ILE C C 31 174.866 174.866 175.066 -0.200 19488 1321 1 6 . 1 1 31 31 ILE CA C 31 61.221 61.221 59.327 1.894 19488 1322 1 6 . 1 1 31 31 ILE CB C 31 39.168 39.168 38.945 0.223 19488 1323 1 6 . 1 1 31 31 ILE H H 31 8.398 8.398 8.284 0.114 19488 1324 1 6 . 1 1 32 32 TYR N N 32 120.913 120.913 124.828 -3.915 19488 1325 1 6 . 1 1 32 32 TYR HA H 32 4.944 4.944 4.318 0.626 19488 1326 1 6 . 1 1 32 32 TYR C C 32 171.083 171.083 172.794 -1.711 19488 1327 1 6 . 1 1 32 32 TYR CA C 32 55.654 55.654 54.792 0.862 19488 1328 1 6 . 1 1 32 32 TYR CB C 32 39.566 39.566 40.859 -1.293 19488 1329 1 6 . 1 1 32 32 TYR H H 32 8.613 8.613 8.689 -0.076 19488 1330 1 6 . 1 1 33 33 TYR N N 33 116.422 116.422 115.202 1.220 19488 1331 1 6 . 1 1 33 33 TYR HA H 33 5.290 5.290 5.000 0.290 19488 1332 1 6 . 1 1 33 33 TYR C C 33 175.406 175.406 174.341 1.065 19488 1333 1 6 . 1 1 33 33 TYR CA C 33 56.476 56.476 55.690 0.787 19488 1334 1 6 . 1 1 33 33 TYR CB C 33 41.891 41.891 40.920 0.971 19488 1335 1 6 . 1 1 33 33 TYR H H 33 8.644 8.644 8.483 0.161 19488 1336 1 6 . 1 1 34 34 TYR N N 34 117.976 117.976 117.408 0.568 19488 1337 1 6 . 1 1 34 34 TYR HA H 34 5.954 5.954 5.096 0.858 19488 1338 1 6 . 1 1 34 34 TYR C C 34 170.962 170.962 173.051 -2.089 19488 1339 1 6 . 1 1 34 34 TYR CA C 34 55.440 55.440 54.296 1.144 19488 1340 1 6 . 1 1 34 34 TYR CB C 34 43.569 43.569 39.738 3.831 19488 1341 1 6 . 1 1 34 34 TYR H H 34 9.266 9.266 9.252 0.014 19488 1342 1 6 . 1 1 35 35 HIS N N 35 124.263 124.263 121.399 2.864 19488 1343 1 6 . 1 1 35 35 HIS HA H 35 3.885 3.885 5.365 -1.480 19488 1344 1 6 . 1 1 35 35 HIS C C 35 178.636 178.636 175.798 2.838 19488 1345 1 6 . 1 1 35 35 HIS CA C 35 54.788 54.788 55.171 -0.383 19488 1346 1 6 . 1 1 35 35 HIS CB C 35 32.272 32.272 33.702 -1.430 19488 1347 1 6 . 1 1 35 35 HIS H H 35 7.644 7.644 9.071 -1.427 19488 1348 1 6 . 1 1 36 36 VAL N N 36 123.179 123.179 122.352 0.827 19488 1349 1 6 . 1 1 36 36 VAL HA H 36 3.669 3.669 3.855 -0.186 19488 1350 1 6 . 1 1 36 36 VAL C C 36 176.537 176.537 176.854 -0.317 19488 1351 1 6 . 1 1 36 36 VAL CA C 36 64.572 64.572 64.660 -0.088 19488 1352 1 6 . 1 1 36 36 VAL CB C 36 31.914 31.914 31.584 0.330 19488 1353 1 6 . 1 1 36 36 VAL H H 36 8.503 8.503 9.037 -0.534 19488 1354 1 6 . 1 1 37 37 ILE N N 37 120.710 120.710 117.728 2.982 19488 1355 1 6 . 1 1 37 37 ILE HA H 37 4.113 4.113 3.838 0.275 19488 1356 1 6 . 1 1 37 37 ILE C C 37 178.177 178.177 178.030 0.147 19488 1357 1 6 . 1 1 37 37 ILE CA C 37 62.557 62.557 63.361 -0.804 19488 1358 1 6 . 1 1 37 37 ILE CB C 37 38.116 38.116 36.784 1.332 19488 1359 1 6 . 1 1 37 37 ILE H H 37 8.845 8.845 8.385 0.460 19488 1360 1 6 . 1 1 38 38 THR N N 38 112.090 112.090 107.854 4.236 19488 1361 1 6 . 1 1 38 38 THR HA H 38 3.939 3.939 4.151 -0.212 19488 1362 1 6 . 1 1 38 38 THR C C 38 176.610 176.610 175.372 1.238 19488 1363 1 6 . 1 1 38 38 THR CA C 38 63.049 63.049 62.788 0.261 19488 1364 1 6 . 1 1 38 38 THR CB C 38 69.301 69.301 69.292 0.009 19488 1365 1 6 . 1 1 38 38 THR H H 38 8.889 8.889 8.095 0.794 19488 1366 1 6 . 1 1 39 39 ARG N N 39 113.685 113.685 116.641 -2.956 19488 1367 1 6 . 1 1 39 39 ARG HA H 39 3.932 3.932 4.125 -0.193 19488 1368 1 6 . 1 1 39 39 ARG C C 39 174.683 174.683 174.458 0.225 19488 1369 1 6 . 1 1 39 39 ARG CA C 39 56.784 56.784 57.158 -0.374 19488 1370 1 6 . 1 1 39 39 ARG CB C 39 25.977 25.977 26.975 -0.998 19488 1371 1 6 . 1 1 39 39 ARG H H 39 8.059 8.059 7.827 0.232 19488 1372 1 6 . 1 1 40 40 GLN N N 40 118.874 118.874 116.732 2.142 19488 1373 1 6 . 1 1 40 40 GLN HA H 40 4.235 4.235 5.537 -1.302 19488 1374 1 6 . 1 1 40 40 GLN C C 40 174.846 174.846 175.502 -0.656 19488 1375 1 6 . 1 1 40 40 GLN CA C 40 56.092 56.092 54.391 1.701 19488 1376 1 6 . 1 1 40 40 GLN CB C 40 29.485 29.485 33.296 -3.811 19488 1377 1 6 . 1 1 40 40 GLN H H 40 7.689 7.689 8.266 -0.577 19488 1378 1 6 . 1 1 41 41 THR N N 41 110.442 110.442 116.334 -5.892 19488 1379 1 6 . 1 1 41 41 THR HA H 41 5.789 5.789 5.155 0.634 19488 1380 1 6 . 1 1 41 41 THR C C 41 174.892 174.892 172.484 2.408 19488 1381 1 6 . 1 1 41 41 THR CA C 41 59.109 59.109 61.130 -2.022 19488 1382 1 6 . 1 1 41 41 THR CB C 41 73.064 73.064 70.006 3.058 19488 1383 1 6 . 1 1 41 41 THR H H 41 8.149 8.149 8.534 -0.385 19488 1384 1 6 . 1 1 42 42 GLN N N 42 113.851 113.851 127.356 -13.505 19488 1385 1 6 . 1 1 42 42 GLN HA H 42 4.309 4.309 4.412 -0.103 19488 1386 1 6 . 1 1 42 42 GLN C C 42 174.849 174.849 174.403 0.446 19488 1387 1 6 . 1 1 42 42 GLN CA C 42 55.340 55.340 54.567 0.773 19488 1388 1 6 . 1 1 42 42 GLN CB C 42 32.221 32.221 31.449 0.772 19488 1389 1 6 . 1 1 42 42 GLN H H 42 9.092 9.092 9.169 -0.077 19488 1390 1 6 . 1 1 43 43 TRP N N 43 120.309 120.309 125.147 -4.838 19488 1391 1 6 . 1 1 43 43 TRP C C 43 176.109 176.109 176.029 0.080 19488 1392 1 6 . 1 1 43 43 TRP CA C 43 59.210 59.210 58.654 0.556 19488 1393 1 6 . 1 1 43 43 TRP CB C 43 31.257 31.257 29.495 1.762 19488 1394 1 6 . 1 1 43 43 TRP H H 43 8.988 8.988 7.899 1.089 19488 1395 1 6 . 1 1 44 44 ASP N N 44 116.214 116.214 120.129 -3.915 19488 1396 1 6 . 1 1 44 44 ASP HA H 44 5.048 5.048 4.868 0.180 19488 1397 1 6 . 1 1 44 44 ASP CA C 44 51.638 51.638 54.507 -2.869 19488 1398 1 6 . 1 1 44 44 ASP CB C 44 40.185 40.185 40.432 -0.247 19488 1399 1 6 . 1 1 44 44 ASP H H 44 7.806 7.806 7.704 0.102 19488 1400 1 6 . 1 1 46 46 PRO HA H 46 3.744 3.744 4.670 -0.926 19488 1401 1 6 . 1 1 46 46 PRO C C 46 175.368 175.368 176.770 -1.402 19488 1402 1 6 . 1 1 46 46 PRO CA C 46 61.186 61.186 62.791 -1.605 19488 1403 1 6 . 1 1 46 46 PRO CB C 46 30.471 30.471 32.846 -2.375 19488 1404 1 6 . 1 1 47 47 THR N N 47 112.549 112.549 116.897 -4.348 19488 1405 1 6 . 1 1 47 47 THR HA H 47 4.140 4.140 4.559 -0.419 19488 1406 1 6 . 1 1 47 47 THR C C 47 174.132 174.132 175.586 -1.454 19488 1407 1 6 . 1 1 47 47 THR CA C 47 60.809 60.809 60.139 0.670 19488 1408 1 6 . 1 1 47 47 THR CB C 47 70.206 70.206 68.450 1.756 19488 1409 1 6 . 1 1 47 47 THR H H 47 7.706 7.706 8.505 -0.799 19488 1410 1 6 . 1 1 48 48 TRP N N 48 123.411 123.411 122.843 0.568 19488 1411 1 6 . 1 1 48 48 TRP HA H 48 4.340 4.340 4.281 0.059 19488 1412 1 6 . 1 1 48 48 TRP C C 48 175.852 175.852 176.227 -0.375 19488 1413 1 6 . 1 1 48 48 TRP CA C 48 57.750 57.750 59.712 -1.962 19488 1414 1 6 . 1 1 48 48 TRP CB C 48 29.261 29.261 29.859 -0.598 19488 1415 1 6 . 1 1 48 48 TRP H H 48 8.432 8.432 8.040 0.392 19488 1416 1 6 . 1 1 49 49 GLU N N 49 123.053 123.053 115.058 7.995 19488 1417 1 6 . 1 1 49 49 GLU HA H 49 4.157 4.157 4.724 -0.567 19488 1418 1 6 . 1 1 49 49 GLU C C 49 175.724 175.724 174.568 1.156 19488 1419 1 6 . 1 1 49 49 GLU CA C 49 56.016 56.016 55.928 0.087 19488 1420 1 6 . 1 1 49 49 GLU CB C 49 30.509 30.509 33.542 -3.033 19488 1421 1 6 . 1 1 49 49 GLU H H 49 8.246 8.246 8.185 0.061 19488 1422 1 6 . 1 1 50 50 SER N N 50 118.135 118.135 116.799 1.336 19488 1423 1 6 . 1 1 50 50 SER HA H 50 4.436 4.436 4.917 -0.481 19488 1424 1 6 . 1 1 50 50 SER CA C 50 56.119 56.119 54.693 1.426 19488 1425 1 6 . 1 1 50 50 SER CB C 50 63.309 63.309 63.944 -0.635 19488 1426 1 6 . 1 1 50 50 SER H H 50 8.228 8.228 8.613 -0.385 19488 1427 1 6 . 1 1 51 51 PRO HA H 51 4.299 4.299 4.558 -0.259 19488 1428 1 6 . 1 1 51 51 PRO C C 51 177.365 177.365 178.160 -0.795 19488 1429 1 6 . 1 1 51 51 PRO CA C 51 63.458 63.458 62.860 0.598 19488 1430 1 6 . 1 1 51 51 PRO CB C 51 32.004 32.004 32.095 -0.091 19488 1431 1 6 . 1 1 52 52 GLY N N 52 109.163 109.163 105.677 3.486 19488 1432 1 6 . 1 1 52 52 GLY C C 52 173.865 173.865 175.125 -1.260 19488 1433 1 6 . 1 1 52 52 GLY CA C 52 45.040 45.040 46.864 -1.824 19488 1434 1 6 . 1 1 52 52 GLY H H 52 8.309 8.309 8.563 -0.254 19488 1435 1 6 . 1 1 53 53 ASP N N 53 120.553 120.553 119.782 0.771 19488 1436 1 6 . 1 1 53 53 ASP HA H 53 4.507 4.507 4.429 0.078 19488 1437 1 6 . 1 1 53 53 ASP C C 53 176.049 176.049 176.873 -0.824 19488 1438 1 6 . 1 1 53 53 ASP CA C 53 54.385 54.385 56.469 -2.084 19488 1439 1 6 . 1 1 53 53 ASP CB C 53 41.202 41.202 40.711 0.491 19488 1440 1 6 . 1 1 53 53 ASP H H 53 8.175 8.175 7.991 0.184 19488 1441 1 6 . 1 1 54 54 ASP N N 54 119.209 119.209 118.458 0.751 19488 1442 1 6 . 1 1 54 54 ASP HA H 54 4.483 4.483 4.701 -0.218 19488 1443 1 6 . 1 1 54 54 ASP C C 54 175.804 175.804 175.757 0.047 19488 1444 1 6 . 1 1 54 54 ASP CA C 54 54.197 54.197 54.428 -0.231 19488 1445 1 6 . 1 1 54 54 ASP CB C 54 40.934 40.934 42.577 -1.643 19488 1446 1 6 . 1 1 54 54 ASP H H 54 8.287 8.287 7.783 0.504 19488 1447 1 6 . 1 1 55 55 ALA N N 55 124.837 124.837 120.313 4.524 19488 1448 1 6 . 1 1 55 55 ALA HA H 55 4.186 4.186 4.560 -0.374 19488 1449 1 6 . 1 1 55 55 ALA C C 55 176.839 176.839 175.544 1.295 19488 1450 1 6 . 1 1 55 55 ALA CA C 55 52.271 52.271 51.473 0.798 19488 1451 1 6 . 1 1 55 55 ALA CB C 55 19.294 19.294 21.690 -2.396 19488 1452 1 6 . 1 1 55 55 ALA H H 55 8.119 8.119 8.069 0.050 19488 1453 1 7 . 1 1 2 2 SER N N 2 117.587 117.587 115.657 1.930 19488 1454 1 7 . 1 1 2 2 SER HA H 2 4.412 4.412 4.323 0.089 19488 1455 1 7 . 1 1 2 2 SER C C 2 173.921 173.921 174.684 -0.763 19488 1456 1 7 . 1 1 2 2 SER CA C 2 58.253 58.253 60.774 -2.521 19488 1457 1 7 . 1 1 2 2 SER CB C 2 63.958 63.958 63.570 0.388 19488 1458 1 7 . 1 1 2 2 SER H H 2 8.036 8.036 8.914 -0.878 19488 1459 1 7 . 1 1 3 3 ASP N N 3 122.646 122.646 120.094 2.552 19488 1460 1 7 . 1 1 3 3 ASP HA H 3 4.531 4.531 4.715 -0.184 19488 1461 1 7 . 1 1 3 3 ASP C C 3 175.710 175.710 175.617 0.093 19488 1462 1 7 . 1 1 3 3 ASP CA C 3 54.099 54.099 55.448 -1.349 19488 1463 1 7 . 1 1 3 3 ASP CB C 3 41.079 41.079 41.657 -0.579 19488 1464 1 7 . 1 1 3 3 ASP H H 3 8.453 8.453 8.556 -0.103 19488 1465 1 7 . 1 1 4 4 LEU N N 4 123.784 123.784 119.098 4.686 19488 1466 1 7 . 1 1 4 4 LEU HA H 4 4.473 4.473 4.871 -0.398 19488 1467 1 7 . 1 1 4 4 LEU CA C 4 52.953 52.953 51.821 1.132 19488 1468 1 7 . 1 1 4 4 LEU CB C 4 41.653 41.653 45.034 -3.381 19488 1469 1 7 . 1 1 4 4 LEU H H 4 8.178 8.178 7.614 0.564 19488 1470 1 7 . 1 1 7 7 PRO HA H 7 4.448 4.448 4.641 -0.193 19488 1471 1 7 . 1 1 7 7 PRO C C 7 174.930 174.930 175.877 -0.947 19488 1472 1 7 . 1 1 7 7 PRO CA C 7 61.363 61.363 62.326 -0.963 19488 1473 1 7 . 1 1 7 7 PRO CB C 7 32.014 32.014 32.807 -0.793 19488 1474 1 7 . 1 1 8 8 SER N N 8 116.891 116.891 116.669 0.222 19488 1475 1 7 . 1 1 8 8 SER HA H 8 3.980 3.980 4.928 -0.948 19488 1476 1 7 . 1 1 8 8 SER CA C 8 57.703 57.703 56.942 0.761 19488 1477 1 7 . 1 1 8 8 SER CB C 8 62.241 62.241 63.321 -1.080 19488 1478 1 7 . 1 1 8 8 SER H H 8 8.281 8.281 8.329 -0.047 19488 1479 1 7 . 1 1 14 14 THR C C 14 175.383 175.383 174.172 1.211 19488 1480 1 7 . 1 1 15 15 ILE N N 15 126.726 126.726 122.217 4.509 19488 1481 1 7 . 1 1 15 15 ILE HA H 15 4.075 4.075 3.950 0.125 19488 1482 1 7 . 1 1 15 15 ILE C C 15 175.223 175.223 176.432 -1.209 19488 1483 1 7 . 1 1 15 15 ILE CA C 15 60.716 60.716 61.184 -0.468 19488 1484 1 7 . 1 1 15 15 ILE CB C 15 38.878 38.878 38.899 -0.021 19488 1485 1 7 . 1 1 15 15 ILE H H 15 8.344 8.344 7.608 0.736 19488 1486 1 7 . 1 1 16 16 VAL N N 16 128.233 128.233 128.046 0.187 19488 1487 1 7 . 1 1 16 16 VAL HA H 16 4.041 4.041 4.215 -0.174 19488 1488 1 7 . 1 1 16 16 VAL C C 16 175.413 175.413 175.752 -0.339 19488 1489 1 7 . 1 1 16 16 VAL CA C 16 61.884 61.884 63.362 -1.478 19488 1490 1 7 . 1 1 16 16 VAL CB C 16 32.472 32.472 32.585 -0.113 19488 1491 1 7 . 1 1 16 16 VAL H H 16 8.374 8.374 8.346 0.028 19488 1492 1 7 . 1 1 17 17 LEU N N 17 128.084 128.084 118.734 9.350 19488 1493 1 7 . 1 1 17 17 LEU HA H 17 4.482 4.482 4.925 -0.443 19488 1494 1 7 . 1 1 17 17 LEU CA C 17 52.176 52.176 52.140 0.036 19488 1495 1 7 . 1 1 17 17 LEU CB C 17 42.034 42.034 41.634 0.400 19488 1496 1 7 . 1 1 17 17 LEU H H 17 8.488 8.488 8.019 0.469 19488 1497 1 7 . 1 1 19 19 PRO HA H 19 4.110 4.110 4.208 -0.098 19488 1498 1 7 . 1 1 19 19 PRO C C 19 176.801 176.801 176.367 0.434 19488 1499 1 7 . 1 1 19 19 PRO CA C 19 63.788 63.788 64.118 -0.330 19488 1500 1 7 . 1 1 19 19 PRO CB C 19 31.976 31.976 31.131 0.845 19488 1501 1 7 . 1 1 20 20 ASN N N 20 111.397 111.397 113.444 -2.047 19488 1502 1 7 . 1 1 20 20 ASN HA H 20 3.898 3.898 4.376 -0.478 19488 1503 1 7 . 1 1 20 20 ASN C C 20 172.167 172.167 175.257 -3.090 19488 1504 1 7 . 1 1 20 20 ASN CA C 20 55.054 55.054 53.991 1.063 19488 1505 1 7 . 1 1 20 20 ASN CB C 20 36.712 36.712 37.631 -0.919 19488 1506 1 7 . 1 1 20 20 ASN H H 20 8.516 8.516 8.247 0.269 19488 1507 1 7 . 1 1 21 21 TRP N N 21 117.522 117.522 118.253 -0.731 19488 1508 1 7 . 1 1 21 21 TRP HA H 21 5.006 5.006 4.474 0.532 19488 1509 1 7 . 1 1 21 21 TRP C C 21 175.534 175.534 175.591 -0.057 19488 1510 1 7 . 1 1 21 21 TRP CA C 21 57.056 57.056 55.987 1.069 19488 1511 1 7 . 1 1 21 21 TRP CB C 21 31.558 31.558 29.581 1.976 19488 1512 1 7 . 1 1 21 21 TRP H H 21 7.317 7.317 7.076 0.241 19488 1513 1 7 . 1 1 22 22 LYS N N 22 121.530 121.530 118.541 2.989 19488 1514 1 7 . 1 1 22 22 LYS HA H 22 4.457 4.457 4.748 -0.291 19488 1515 1 7 . 1 1 22 22 LYS C C 22 174.479 174.479 175.218 -0.739 19488 1516 1 7 . 1 1 22 22 LYS CA C 22 54.265 54.265 53.621 0.644 19488 1517 1 7 . 1 1 22 22 LYS CB C 22 37.342 37.342 35.778 1.564 19488 1518 1 7 . 1 1 22 22 LYS H H 22 8.947 8.947 8.195 0.752 19488 1519 1 7 . 1 1 23 23 THR N N 23 108.162 108.162 114.206 -6.044 19488 1520 1 7 . 1 1 23 23 THR HA H 23 4.961 4.961 4.766 0.195 19488 1521 1 7 . 1 1 23 23 THR C C 23 175.581 175.581 173.396 2.185 19488 1522 1 7 . 1 1 23 23 THR CA C 23 59.375 59.375 60.527 -1.152 19488 1523 1 7 . 1 1 23 23 THR CB C 23 71.708 71.708 70.221 1.487 19488 1524 1 7 . 1 1 23 23 THR H H 23 7.700 7.700 8.390 -0.690 19488 1525 1 7 . 1 1 24 24 ALA N N 24 124.178 124.178 127.100 -2.922 19488 1526 1 7 . 1 1 24 24 ALA HA H 24 4.243 4.243 4.488 -0.245 19488 1527 1 7 . 1 1 24 24 ALA C C 24 173.562 173.562 173.989 -0.427 19488 1528 1 7 . 1 1 24 24 ALA CA C 24 50.533 50.533 52.000 -1.467 19488 1529 1 7 . 1 1 24 24 ALA CB C 24 21.856 21.856 21.252 0.604 19488 1530 1 7 . 1 1 24 24 ALA H H 24 8.265 8.265 8.663 -0.398 19488 1531 1 7 . 1 1 25 25 ARG N N 25 115.093 115.093 117.013 -1.920 19488 1532 1 7 . 1 1 25 25 ARG HA H 25 5.222 5.222 4.872 0.350 19488 1533 1 7 . 1 1 25 25 ARG C C 25 176.749 176.749 175.502 1.247 19488 1534 1 7 . 1 1 25 25 ARG CA C 25 53.777 53.777 54.509 -0.732 19488 1535 1 7 . 1 1 25 25 ARG CB C 25 33.601 33.601 33.436 0.165 19488 1536 1 7 . 1 1 25 25 ARG H H 25 7.866 7.866 8.276 -0.410 19488 1537 1 7 . 1 1 26 26 ASP N N 26 126.621 126.621 121.582 5.039 19488 1538 1 7 . 1 1 26 26 ASP HA H 26 4.849 4.849 5.103 -0.254 19488 1539 1 7 . 1 1 26 26 ASP CA C 26 52.625 52.625 52.628 -0.003 19488 1540 1 7 . 1 1 26 26 ASP CB C 26 40.594 40.594 41.281 -0.686 19488 1541 1 7 . 1 1 26 26 ASP H H 26 9.377 9.377 8.769 0.608 19488 1542 1 7 . 1 1 27 27 PRO HA H 27 4.305 4.305 4.325 -0.020 19488 1543 1 7 . 1 1 27 27 PRO C C 27 176.323 176.323 176.332 -0.009 19488 1544 1 7 . 1 1 27 27 PRO CA C 27 65.656 65.656 64.764 0.892 19488 1545 1 7 . 1 1 27 27 PRO CB C 27 31.959 31.959 31.843 0.116 19488 1546 1 7 . 1 1 28 28 GLU N N 28 115.086 115.086 118.558 -3.472 19488 1547 1 7 . 1 1 28 28 GLU HA H 28 4.344 4.344 4.407 -0.063 19488 1548 1 7 . 1 1 28 28 GLU CA C 28 55.671 55.671 55.242 0.429 19488 1549 1 7 . 1 1 28 28 GLU CB C 28 30.313 30.313 27.720 2.593 19488 1550 1 7 . 1 1 28 28 GLU H H 28 7.933 7.933 8.007 -0.074 19488 1551 1 7 . 1 1 29 29 GLY N N 29 108.180 108.180 107.146 1.034 19488 1552 1 7 . 1 1 29 29 GLY C C 29 174.929 174.929 174.093 0.836 19488 1553 1 7 . 1 1 29 29 GLY CA C 29 45.348 45.348 46.009 -0.661 19488 1554 1 7 . 1 1 29 29 GLY H H 29 8.429 8.429 7.651 0.778 19488 1555 1 7 . 1 1 30 30 LYS N N 30 124.331 124.331 120.035 4.296 19488 1556 1 7 . 1 1 30 30 LYS C C 30 176.537 176.537 175.396 1.141 19488 1557 1 7 . 1 1 30 30 LYS CA C 30 57.723 57.723 55.760 1.963 19488 1558 1 7 . 1 1 30 30 LYS CB C 30 32.465 32.465 33.188 -0.723 19488 1559 1 7 . 1 1 30 30 LYS H H 30 8.895 8.895 7.648 1.247 19488 1560 1 7 . 1 1 31 31 ILE N N 31 125.574 125.574 123.000 2.574 19488 1561 1 7 . 1 1 31 31 ILE HA H 31 4.201 4.201 4.122 0.079 19488 1562 1 7 . 1 1 31 31 ILE C C 31 174.866 174.866 175.511 -0.645 19488 1563 1 7 . 1 1 31 31 ILE CA C 31 61.221 61.221 59.817 1.404 19488 1564 1 7 . 1 1 31 31 ILE CB C 31 39.168 39.168 38.279 0.889 19488 1565 1 7 . 1 1 31 31 ILE H H 31 8.398 8.398 8.330 0.068 19488 1566 1 7 . 1 1 32 32 TYR N N 32 120.913 120.913 124.130 -3.217 19488 1567 1 7 . 1 1 32 32 TYR HA H 32 4.944 4.944 4.945 -0.001 19488 1568 1 7 . 1 1 32 32 TYR C C 32 171.083 171.083 172.862 -1.779 19488 1569 1 7 . 1 1 32 32 TYR CA C 32 55.654 55.654 54.869 0.785 19488 1570 1 7 . 1 1 32 32 TYR CB C 32 39.566 39.566 41.135 -1.569 19488 1571 1 7 . 1 1 32 32 TYR H H 32 8.613 8.613 8.850 -0.237 19488 1572 1 7 . 1 1 33 33 TYR N N 33 116.422 116.422 115.991 0.431 19488 1573 1 7 . 1 1 33 33 TYR HA H 33 5.290 5.290 5.256 0.034 19488 1574 1 7 . 1 1 33 33 TYR C C 33 175.406 175.406 174.440 0.966 19488 1575 1 7 . 1 1 33 33 TYR CA C 33 56.476 56.476 55.961 0.515 19488 1576 1 7 . 1 1 33 33 TYR CB C 33 41.891 41.891 41.015 0.876 19488 1577 1 7 . 1 1 33 33 TYR H H 33 8.644 8.644 8.979 -0.335 19488 1578 1 7 . 1 1 34 34 TYR N N 34 117.976 117.976 117.305 0.671 19488 1579 1 7 . 1 1 34 34 TYR HA H 34 5.954 5.954 5.492 0.462 19488 1580 1 7 . 1 1 34 34 TYR C C 34 170.962 170.962 174.337 -3.375 19488 1581 1 7 . 1 1 34 34 TYR CA C 34 55.440 55.440 55.504 -0.064 19488 1582 1 7 . 1 1 34 34 TYR CB C 34 43.569 43.569 40.772 2.797 19488 1583 1 7 . 1 1 34 34 TYR H H 34 9.266 9.266 9.306 -0.040 19488 1584 1 7 . 1 1 35 35 HIS N N 35 124.263 124.263 123.558 0.705 19488 1585 1 7 . 1 1 35 35 HIS HA H 35 3.885 3.885 5.105 -1.220 19488 1586 1 7 . 1 1 35 35 HIS C C 35 178.636 178.636 175.684 2.952 19488 1587 1 7 . 1 1 35 35 HIS CA C 35 54.788 54.788 56.173 -1.385 19488 1588 1 7 . 1 1 35 35 HIS CB C 35 32.272 32.272 32.126 0.146 19488 1589 1 7 . 1 1 35 35 HIS H H 35 7.644 7.644 9.122 -1.478 19488 1590 1 7 . 1 1 36 36 VAL N N 36 123.179 123.179 123.619 -0.440 19488 1591 1 7 . 1 1 36 36 VAL HA H 36 3.669 3.669 4.074 -0.405 19488 1592 1 7 . 1 1 36 36 VAL C C 36 176.537 176.537 177.128 -0.591 19488 1593 1 7 . 1 1 36 36 VAL CA C 36 64.572 64.572 65.175 -0.603 19488 1594 1 7 . 1 1 36 36 VAL CB C 36 31.914 31.914 31.955 -0.041 19488 1595 1 7 . 1 1 36 36 VAL H H 36 8.503 8.503 8.765 -0.262 19488 1596 1 7 . 1 1 37 37 ILE N N 37 120.710 120.710 118.456 2.254 19488 1597 1 7 . 1 1 37 37 ILE HA H 37 4.113 4.113 3.889 0.224 19488 1598 1 7 . 1 1 37 37 ILE C C 37 178.177 178.177 178.199 -0.022 19488 1599 1 7 . 1 1 37 37 ILE CA C 37 62.557 62.557 64.297 -1.740 19488 1600 1 7 . 1 1 37 37 ILE CB C 37 38.116 38.116 37.722 0.394 19488 1601 1 7 . 1 1 37 37 ILE H H 37 8.845 8.845 8.260 0.585 19488 1602 1 7 . 1 1 38 38 THR N N 38 112.090 112.090 110.535 1.555 19488 1603 1 7 . 1 1 38 38 THR HA H 38 3.939 3.939 4.180 -0.241 19488 1604 1 7 . 1 1 38 38 THR C C 38 176.610 176.610 175.169 1.441 19488 1605 1 7 . 1 1 38 38 THR CA C 38 63.049 63.049 63.210 -0.161 19488 1606 1 7 . 1 1 38 38 THR CB C 38 69.301 69.301 68.952 0.349 19488 1607 1 7 . 1 1 38 38 THR H H 38 8.889 8.889 8.358 0.531 19488 1608 1 7 . 1 1 39 39 ARG N N 39 113.685 113.685 117.536 -3.851 19488 1609 1 7 . 1 1 39 39 ARG HA H 39 3.932 3.932 4.210 -0.278 19488 1610 1 7 . 1 1 39 39 ARG C C 39 174.683 174.683 174.490 0.193 19488 1611 1 7 . 1 1 39 39 ARG CA C 39 56.784 56.784 57.297 -0.513 19488 1612 1 7 . 1 1 39 39 ARG CB C 39 25.977 25.977 27.013 -1.036 19488 1613 1 7 . 1 1 39 39 ARG H H 39 8.059 8.059 7.979 0.080 19488 1614 1 7 . 1 1 40 40 GLN N N 40 118.874 118.874 116.478 2.396 19488 1615 1 7 . 1 1 40 40 GLN HA H 40 4.235 4.235 5.476 -1.241 19488 1616 1 7 . 1 1 40 40 GLN C C 40 174.846 174.846 175.454 -0.608 19488 1617 1 7 . 1 1 40 40 GLN CA C 40 56.092 56.092 54.172 1.920 19488 1618 1 7 . 1 1 40 40 GLN CB C 40 29.485 29.485 33.570 -4.085 19488 1619 1 7 . 1 1 40 40 GLN H H 40 7.689 7.689 7.914 -0.225 19488 1620 1 7 . 1 1 41 41 THR N N 41 110.442 110.442 115.736 -5.294 19488 1621 1 7 . 1 1 41 41 THR HA H 41 5.789 5.789 5.227 0.562 19488 1622 1 7 . 1 1 41 41 THR C C 41 174.892 174.892 173.122 1.770 19488 1623 1 7 . 1 1 41 41 THR CA C 41 59.109 59.109 60.212 -1.103 19488 1624 1 7 . 1 1 41 41 THR CB C 41 73.064 73.064 69.921 3.143 19488 1625 1 7 . 1 1 41 41 THR H H 41 8.149 8.149 8.535 -0.386 19488 1626 1 7 . 1 1 42 42 GLN N N 42 113.851 113.851 125.887 -12.036 19488 1627 1 7 . 1 1 42 42 GLN HA H 42 4.309 4.309 4.817 -0.508 19488 1628 1 7 . 1 1 42 42 GLN C C 42 174.849 174.849 176.097 -1.248 19488 1629 1 7 . 1 1 42 42 GLN CA C 42 55.340 55.340 54.679 0.661 19488 1630 1 7 . 1 1 42 42 GLN CB C 42 32.221 32.221 31.028 1.193 19488 1631 1 7 . 1 1 42 42 GLN H H 42 9.092 9.092 9.204 -0.112 19488 1632 1 7 . 1 1 43 43 TRP N N 43 120.309 120.309 122.970 -2.661 19488 1633 1 7 . 1 1 43 43 TRP C C 43 176.109 176.109 176.394 -0.285 19488 1634 1 7 . 1 1 43 43 TRP CA C 43 59.210 59.210 58.631 0.579 19488 1635 1 7 . 1 1 43 43 TRP CB C 43 31.257 31.257 29.690 1.567 19488 1636 1 7 . 1 1 43 43 TRP H H 43 8.988 8.988 8.548 0.440 19488 1637 1 7 . 1 1 44 44 ASP N N 44 116.214 116.214 119.779 -3.565 19488 1638 1 7 . 1 1 44 44 ASP HA H 44 5.048 5.048 4.873 0.175 19488 1639 1 7 . 1 1 44 44 ASP CA C 44 51.638 51.638 54.221 -2.583 19488 1640 1 7 . 1 1 44 44 ASP CB C 44 40.185 40.185 40.306 -0.121 19488 1641 1 7 . 1 1 44 44 ASP H H 44 7.806 7.806 7.405 0.401 19488 1642 1 7 . 1 1 46 46 PRO HA H 46 3.744 3.744 4.878 -1.134 19488 1643 1 7 . 1 1 46 46 PRO C C 46 175.368 175.368 177.803 -2.435 19488 1644 1 7 . 1 1 46 46 PRO CA C 46 61.186 61.186 62.337 -1.151 19488 1645 1 7 . 1 1 46 46 PRO CB C 46 30.471 30.471 33.013 -2.542 19488 1646 1 7 . 1 1 47 47 THR N N 47 112.549 112.549 116.996 -4.447 19488 1647 1 7 . 1 1 47 47 THR HA H 47 4.140 4.140 4.305 -0.165 19488 1648 1 7 . 1 1 47 47 THR C C 47 174.132 174.132 174.613 -0.481 19488 1649 1 7 . 1 1 47 47 THR CA C 47 60.809 60.809 60.663 0.146 19488 1650 1 7 . 1 1 47 47 THR CB C 47 70.206 70.206 67.930 2.276 19488 1651 1 7 . 1 1 47 47 THR H H 47 7.706 7.706 8.666 -0.960 19488 1652 1 7 . 1 1 48 48 TRP N N 48 123.411 123.411 119.698 3.713 19488 1653 1 7 . 1 1 48 48 TRP HA H 48 4.340 4.340 5.138 -0.798 19488 1654 1 7 . 1 1 48 48 TRP C C 48 175.852 175.852 175.341 0.511 19488 1655 1 7 . 1 1 48 48 TRP CA C 48 57.750 57.750 56.663 1.087 19488 1656 1 7 . 1 1 48 48 TRP CB C 48 29.261 29.261 29.168 0.093 19488 1657 1 7 . 1 1 48 48 TRP H H 48 8.432 8.432 7.949 0.483 19488 1658 1 7 . 1 1 49 49 GLU N N 49 123.053 123.053 116.251 6.802 19488 1659 1 7 . 1 1 49 49 GLU HA H 49 4.157 4.157 4.086 0.071 19488 1660 1 7 . 1 1 49 49 GLU C C 49 175.724 175.724 174.654 1.070 19488 1661 1 7 . 1 1 49 49 GLU CA C 49 56.016 56.016 54.843 1.173 19488 1662 1 7 . 1 1 49 49 GLU CB C 49 30.509 30.509 32.286 -1.777 19488 1663 1 7 . 1 1 49 49 GLU H H 49 8.246 8.246 7.040 1.206 19488 1664 1 7 . 1 1 50 50 SER N N 50 118.135 118.135 115.924 2.211 19488 1665 1 7 . 1 1 50 50 SER HA H 50 4.436 4.436 4.727 -0.291 19488 1666 1 7 . 1 1 50 50 SER CA C 50 56.119 56.119 54.281 1.839 19488 1667 1 7 . 1 1 50 50 SER CB C 50 63.309 63.309 64.597 -1.288 19488 1668 1 7 . 1 1 50 50 SER H H 50 8.228 8.228 8.106 0.122 19488 1669 1 7 . 1 1 51 51 PRO HA H 51 4.299 4.299 4.464 -0.165 19488 1670 1 7 . 1 1 51 51 PRO C C 51 177.365 177.365 177.759 -0.394 19488 1671 1 7 . 1 1 51 51 PRO CA C 51 63.458 63.458 62.534 0.924 19488 1672 1 7 . 1 1 51 51 PRO CB C 51 32.004 32.004 32.233 -0.230 19488 1673 1 7 . 1 1 52 52 GLY N N 52 109.163 109.163 105.364 3.799 19488 1674 1 7 . 1 1 52 52 GLY C C 52 173.865 173.865 176.298 -2.433 19488 1675 1 7 . 1 1 52 52 GLY CA C 52 45.040 45.040 46.337 -1.297 19488 1676 1 7 . 1 1 52 52 GLY H H 52 8.309 8.309 8.461 -0.152 19488 1677 1 7 . 1 1 53 53 ASP N N 53 120.553 120.553 120.697 -0.144 19488 1678 1 7 . 1 1 53 53 ASP HA H 53 4.507 4.507 4.404 0.103 19488 1679 1 7 . 1 1 53 53 ASP C C 53 176.049 176.049 177.294 -1.245 19488 1680 1 7 . 1 1 53 53 ASP CA C 53 54.385 54.385 56.445 -2.060 19488 1681 1 7 . 1 1 53 53 ASP CB C 53 41.202 41.202 40.466 0.736 19488 1682 1 7 . 1 1 53 53 ASP H H 53 8.175 8.175 8.343 -0.168 19488 1683 1 7 . 1 1 54 54 ASP N N 54 119.209 119.209 118.752 0.457 19488 1684 1 7 . 1 1 54 54 ASP HA H 54 4.483 4.483 4.567 -0.084 19488 1685 1 7 . 1 1 54 54 ASP C C 54 175.804 175.804 177.626 -1.822 19488 1686 1 7 . 1 1 54 54 ASP CA C 54 54.197 54.197 55.172 -0.975 19488 1687 1 7 . 1 1 54 54 ASP CB C 54 40.934 40.934 41.664 -0.730 19488 1688 1 7 . 1 1 54 54 ASP H H 54 8.287 8.287 7.808 0.479 19488 1689 1 7 . 1 1 55 55 ALA N N 55 124.837 124.837 120.721 4.116 19488 1690 1 7 . 1 1 55 55 ALA HA H 55 4.186 4.186 4.323 -0.137 19488 1691 1 7 . 1 1 55 55 ALA C C 55 176.839 176.839 177.752 -0.913 19488 1692 1 7 . 1 1 55 55 ALA CA C 55 52.271 52.271 53.433 -1.162 19488 1693 1 7 . 1 1 55 55 ALA CB C 55 19.294 19.294 19.550 -0.256 19488 1694 1 7 . 1 1 55 55 ALA H H 55 8.119 8.119 7.882 0.237 19488 1695 1 8 . 1 1 2 2 SER N N 2 117.587 117.587 114.774 2.813 19488 1696 1 8 . 1 1 2 2 SER HA H 2 4.412 4.412 4.271 0.141 19488 1697 1 8 . 1 1 2 2 SER C C 2 173.921 173.921 174.383 -0.462 19488 1698 1 8 . 1 1 2 2 SER CA C 2 58.253 58.253 60.772 -2.519 19488 1699 1 8 . 1 1 2 2 SER CB C 2 63.958 63.958 63.438 0.520 19488 1700 1 8 . 1 1 2 2 SER H H 2 8.036 8.036 7.694 0.342 19488 1701 1 8 . 1 1 3 3 ASP N N 3 122.646 122.646 119.543 3.103 19488 1702 1 8 . 1 1 3 3 ASP HA H 3 4.531 4.531 4.614 -0.083 19488 1703 1 8 . 1 1 3 3 ASP C C 3 175.710 175.710 175.419 0.291 19488 1704 1 8 . 1 1 3 3 ASP CA C 3 54.099 54.099 55.416 -1.317 19488 1705 1 8 . 1 1 3 3 ASP CB C 3 41.079 41.079 41.437 -0.358 19488 1706 1 8 . 1 1 3 3 ASP H H 3 8.453 8.453 8.004 0.449 19488 1707 1 8 . 1 1 4 4 LEU N N 4 123.784 123.784 118.949 4.835 19488 1708 1 8 . 1 1 4 4 LEU HA H 4 4.473 4.473 4.705 -0.232 19488 1709 1 8 . 1 1 4 4 LEU CA C 4 52.953 52.953 51.441 1.512 19488 1710 1 8 . 1 1 4 4 LEU CB C 4 41.653 41.653 45.052 -3.399 19488 1711 1 8 . 1 1 4 4 LEU H H 4 8.178 8.178 7.189 0.989 19488 1712 1 8 . 1 1 7 7 PRO HA H 7 4.448 4.448 4.613 -0.165 19488 1713 1 8 . 1 1 7 7 PRO C C 7 174.930 174.930 176.237 -1.307 19488 1714 1 8 . 1 1 7 7 PRO CA C 7 61.363 61.363 62.294 -0.931 19488 1715 1 8 . 1 1 7 7 PRO CB C 7 32.014 32.014 32.898 -0.884 19488 1716 1 8 . 1 1 8 8 SER N N 8 116.891 116.891 117.622 -0.731 19488 1717 1 8 . 1 1 8 8 SER HA H 8 3.980 3.980 4.870 -0.890 19488 1718 1 8 . 1 1 8 8 SER CA C 8 57.703 57.703 56.333 1.370 19488 1719 1 8 . 1 1 8 8 SER CB C 8 62.241 62.241 63.286 -1.045 19488 1720 1 8 . 1 1 8 8 SER H H 8 8.281 8.281 8.703 -0.422 19488 1721 1 8 . 1 1 14 14 THR C C 14 175.383 175.383 174.839 0.544 19488 1722 1 8 . 1 1 15 15 ILE N N 15 126.726 126.726 121.589 5.137 19488 1723 1 8 . 1 1 15 15 ILE HA H 15 4.075 4.075 3.818 0.257 19488 1724 1 8 . 1 1 15 15 ILE C C 15 175.223 175.223 175.518 -0.295 19488 1725 1 8 . 1 1 15 15 ILE CA C 15 60.716 60.716 61.416 -0.701 19488 1726 1 8 . 1 1 15 15 ILE CB C 15 38.878 38.878 38.786 0.092 19488 1727 1 8 . 1 1 15 15 ILE H H 15 8.344 8.344 7.587 0.757 19488 1728 1 8 . 1 1 16 16 VAL N N 16 128.233 128.233 125.907 2.326 19488 1729 1 8 . 1 1 16 16 VAL HA H 16 4.041 4.041 2.850 1.190 19488 1730 1 8 . 1 1 16 16 VAL C C 16 175.413 175.413 174.561 0.852 19488 1731 1 8 . 1 1 16 16 VAL CA C 16 61.884 61.884 62.001 -0.117 19488 1732 1 8 . 1 1 16 16 VAL CB C 16 32.472 32.472 32.252 0.220 19488 1733 1 8 . 1 1 16 16 VAL H H 16 8.374 8.374 7.793 0.581 19488 1734 1 8 . 1 1 17 17 LEU N N 17 128.084 128.084 117.942 10.142 19488 1735 1 8 . 1 1 17 17 LEU HA H 17 4.482 4.482 4.688 -0.206 19488 1736 1 8 . 1 1 17 17 LEU CA C 17 52.176 52.176 51.284 0.892 19488 1737 1 8 . 1 1 17 17 LEU CB C 17 42.034 42.034 42.416 -0.382 19488 1738 1 8 . 1 1 17 17 LEU H H 17 8.488 8.488 7.551 0.937 19488 1739 1 8 . 1 1 19 19 PRO HA H 19 4.110 4.110 4.720 -0.610 19488 1740 1 8 . 1 1 19 19 PRO C C 19 176.801 176.801 177.128 -0.327 19488 1741 1 8 . 1 1 19 19 PRO CA C 19 63.788 63.788 64.218 -0.430 19488 1742 1 8 . 1 1 19 19 PRO CB C 19 31.976 31.976 31.532 0.444 19488 1743 1 8 . 1 1 20 20 ASN N N 20 111.397 111.397 114.894 -3.497 19488 1744 1 8 . 1 1 20 20 ASN HA H 20 3.898 3.898 4.520 -0.622 19488 1745 1 8 . 1 1 20 20 ASN C C 20 172.167 172.167 175.335 -3.168 19488 1746 1 8 . 1 1 20 20 ASN CA C 20 55.054 55.054 54.850 0.204 19488 1747 1 8 . 1 1 20 20 ASN CB C 20 36.712 36.712 37.929 -1.217 19488 1748 1 8 . 1 1 20 20 ASN H H 20 8.516 8.516 8.379 0.137 19488 1749 1 8 . 1 1 21 21 TRP N N 21 117.522 117.522 122.150 -4.628 19488 1750 1 8 . 1 1 21 21 TRP HA H 21 5.006 5.006 4.845 0.161 19488 1751 1 8 . 1 1 21 21 TRP C C 21 175.534 175.534 175.328 0.206 19488 1752 1 8 . 1 1 21 21 TRP CA C 21 57.056 57.056 56.004 1.052 19488 1753 1 8 . 1 1 21 21 TRP CB C 21 31.558 31.558 32.073 -0.515 19488 1754 1 8 . 1 1 21 21 TRP H H 21 7.317 7.317 7.728 -0.411 19488 1755 1 8 . 1 1 22 22 LYS N N 22 121.530 121.530 118.988 2.542 19488 1756 1 8 . 1 1 22 22 LYS HA H 22 4.457 4.457 4.938 -0.481 19488 1757 1 8 . 1 1 22 22 LYS C C 22 174.479 174.479 175.917 -1.438 19488 1758 1 8 . 1 1 22 22 LYS CA C 22 54.265 54.265 54.013 0.252 19488 1759 1 8 . 1 1 22 22 LYS CB C 22 37.342 37.342 35.585 1.757 19488 1760 1 8 . 1 1 22 22 LYS H H 22 8.947 8.947 7.755 1.192 19488 1761 1 8 . 1 1 23 23 THR N N 23 108.162 108.162 113.795 -5.633 19488 1762 1 8 . 1 1 23 23 THR HA H 23 4.961 4.961 4.169 0.792 19488 1763 1 8 . 1 1 23 23 THR C C 23 175.581 175.581 172.839 2.742 19488 1764 1 8 . 1 1 23 23 THR CA C 23 59.375 59.375 60.225 -0.850 19488 1765 1 8 . 1 1 23 23 THR CB C 23 71.708 71.708 68.738 2.970 19488 1766 1 8 . 1 1 23 23 THR H H 23 7.700 7.700 8.301 -0.601 19488 1767 1 8 . 1 1 24 24 ALA N N 24 124.178 124.178 128.473 -4.295 19488 1768 1 8 . 1 1 24 24 ALA HA H 24 4.243 4.243 4.372 -0.129 19488 1769 1 8 . 1 1 24 24 ALA C C 24 173.562 173.562 173.895 -0.333 19488 1770 1 8 . 1 1 24 24 ALA CA C 24 50.533 50.533 50.658 -0.125 19488 1771 1 8 . 1 1 24 24 ALA CB C 24 21.856 21.856 21.750 0.106 19488 1772 1 8 . 1 1 24 24 ALA H H 24 8.265 8.265 8.208 0.057 19488 1773 1 8 . 1 1 25 25 ARG N N 25 115.093 115.093 119.593 -4.500 19488 1774 1 8 . 1 1 25 25 ARG HA H 25 5.222 5.222 4.870 0.352 19488 1775 1 8 . 1 1 25 25 ARG C C 25 176.749 176.749 174.665 2.084 19488 1776 1 8 . 1 1 25 25 ARG CA C 25 53.777 53.777 54.900 -1.123 19488 1777 1 8 . 1 1 25 25 ARG CB C 25 33.601 33.601 33.253 0.348 19488 1778 1 8 . 1 1 25 25 ARG H H 25 7.866 7.866 8.173 -0.307 19488 1779 1 8 . 1 1 26 26 ASP N N 26 126.621 126.621 123.473 3.148 19488 1780 1 8 . 1 1 26 26 ASP HA H 26 4.849 4.849 5.051 -0.202 19488 1781 1 8 . 1 1 26 26 ASP CA C 26 52.625 52.625 53.015 -0.390 19488 1782 1 8 . 1 1 26 26 ASP CB C 26 40.594 40.594 41.671 -1.077 19488 1783 1 8 . 1 1 26 26 ASP H H 26 9.377 9.377 9.004 0.373 19488 1784 1 8 . 1 1 27 27 PRO HA H 27 4.305 4.305 4.286 0.019 19488 1785 1 8 . 1 1 27 27 PRO C C 27 176.323 176.323 176.486 -0.163 19488 1786 1 8 . 1 1 27 27 PRO CA C 27 65.656 65.656 64.631 1.025 19488 1787 1 8 . 1 1 27 27 PRO CB C 27 31.959 31.959 31.769 0.190 19488 1788 1 8 . 1 1 28 28 GLU N N 28 115.086 115.086 117.841 -2.755 19488 1789 1 8 . 1 1 28 28 GLU HA H 28 4.344 4.344 4.331 0.013 19488 1790 1 8 . 1 1 28 28 GLU CA C 28 55.671 55.671 55.491 0.180 19488 1791 1 8 . 1 1 28 28 GLU CB C 28 30.313 30.313 27.678 2.635 19488 1792 1 8 . 1 1 28 28 GLU H H 28 7.933 7.933 8.104 -0.171 19488 1793 1 8 . 1 1 29 29 GLY N N 29 108.180 108.180 107.360 0.820 19488 1794 1 8 . 1 1 29 29 GLY C C 29 174.929 174.929 174.514 0.415 19488 1795 1 8 . 1 1 29 29 GLY CA C 29 45.348 45.348 46.095 -0.747 19488 1796 1 8 . 1 1 29 29 GLY H H 29 8.429 8.429 7.587 0.842 19488 1797 1 8 . 1 1 30 30 LYS N N 30 124.331 124.331 120.514 3.817 19488 1798 1 8 . 1 1 30 30 LYS C C 30 176.537 176.537 175.012 1.525 19488 1799 1 8 . 1 1 30 30 LYS CA C 30 57.723 57.723 55.624 2.099 19488 1800 1 8 . 1 1 30 30 LYS CB C 30 32.465 32.465 33.324 -0.859 19488 1801 1 8 . 1 1 30 30 LYS H H 30 8.895 8.895 7.796 1.099 19488 1802 1 8 . 1 1 31 31 ILE N N 31 125.574 125.574 122.513 3.061 19488 1803 1 8 . 1 1 31 31 ILE HA H 31 4.201 4.201 4.009 0.192 19488 1804 1 8 . 1 1 31 31 ILE C C 31 174.866 174.866 175.320 -0.454 19488 1805 1 8 . 1 1 31 31 ILE CA C 31 61.221 61.221 59.636 1.585 19488 1806 1 8 . 1 1 31 31 ILE CB C 31 39.168 39.168 38.246 0.922 19488 1807 1 8 . 1 1 31 31 ILE H H 31 8.398 8.398 8.375 0.023 19488 1808 1 8 . 1 1 32 32 TYR N N 32 120.913 120.913 123.231 -2.318 19488 1809 1 8 . 1 1 32 32 TYR HA H 32 4.944 4.944 4.903 0.041 19488 1810 1 8 . 1 1 32 32 TYR C C 32 171.083 171.083 172.508 -1.425 19488 1811 1 8 . 1 1 32 32 TYR CA C 32 55.654 55.654 55.246 0.408 19488 1812 1 8 . 1 1 32 32 TYR CB C 32 39.566 39.566 40.482 -0.916 19488 1813 1 8 . 1 1 32 32 TYR H H 32 8.613 8.613 8.741 -0.128 19488 1814 1 8 . 1 1 33 33 TYR N N 33 116.422 116.422 116.645 -0.223 19488 1815 1 8 . 1 1 33 33 TYR HA H 33 5.290 5.290 4.579 0.711 19488 1816 1 8 . 1 1 33 33 TYR C C 33 175.406 175.406 174.346 1.060 19488 1817 1 8 . 1 1 33 33 TYR CA C 33 56.476 56.476 56.488 -0.012 19488 1818 1 8 . 1 1 33 33 TYR CB C 33 41.891 41.891 41.522 0.369 19488 1819 1 8 . 1 1 33 33 TYR H H 33 8.644 8.644 8.987 -0.343 19488 1820 1 8 . 1 1 34 34 TYR N N 34 117.976 117.976 118.095 -0.119 19488 1821 1 8 . 1 1 34 34 TYR HA H 34 5.954 5.954 4.974 0.980 19488 1822 1 8 . 1 1 34 34 TYR C C 34 170.962 170.962 173.099 -2.137 19488 1823 1 8 . 1 1 34 34 TYR CA C 34 55.440 55.440 54.291 1.149 19488 1824 1 8 . 1 1 34 34 TYR CB C 34 43.569 43.569 39.867 3.702 19488 1825 1 8 . 1 1 34 34 TYR H H 34 9.266 9.266 9.120 0.146 19488 1826 1 8 . 1 1 35 35 HIS N N 35 124.263 124.263 120.496 3.767 19488 1827 1 8 . 1 1 35 35 HIS HA H 35 3.885 3.885 5.383 -1.498 19488 1828 1 8 . 1 1 35 35 HIS C C 35 178.636 178.636 175.923 2.713 19488 1829 1 8 . 1 1 35 35 HIS CA C 35 54.788 54.788 55.030 -0.242 19488 1830 1 8 . 1 1 35 35 HIS CB C 35 32.272 32.272 33.511 -1.239 19488 1831 1 8 . 1 1 35 35 HIS H H 35 7.644 7.644 9.048 -1.404 19488 1832 1 8 . 1 1 36 36 VAL N N 36 123.179 123.179 122.763 0.416 19488 1833 1 8 . 1 1 36 36 VAL HA H 36 3.669 3.669 3.824 -0.155 19488 1834 1 8 . 1 1 36 36 VAL C C 36 176.537 176.537 176.811 -0.274 19488 1835 1 8 . 1 1 36 36 VAL CA C 36 64.572 64.572 64.776 -0.204 19488 1836 1 8 . 1 1 36 36 VAL CB C 36 31.914 31.914 31.579 0.335 19488 1837 1 8 . 1 1 36 36 VAL H H 36 8.503 8.503 8.982 -0.479 19488 1838 1 8 . 1 1 37 37 ILE N N 37 120.710 120.710 118.469 2.241 19488 1839 1 8 . 1 1 37 37 ILE HA H 37 4.113 4.113 3.845 0.268 19488 1840 1 8 . 1 1 37 37 ILE C C 37 178.177 178.177 178.074 0.103 19488 1841 1 8 . 1 1 37 37 ILE CA C 37 62.557 62.557 63.946 -1.389 19488 1842 1 8 . 1 1 37 37 ILE CB C 37 38.116 38.116 37.221 0.895 19488 1843 1 8 . 1 1 37 37 ILE H H 37 8.845 8.845 8.380 0.465 19488 1844 1 8 . 1 1 38 38 THR N N 38 112.090 112.090 111.057 1.033 19488 1845 1 8 . 1 1 38 38 THR HA H 38 3.939 3.939 4.147 -0.208 19488 1846 1 8 . 1 1 38 38 THR C C 38 176.610 176.610 174.891 1.719 19488 1847 1 8 . 1 1 38 38 THR CA C 38 63.049 63.049 63.249 -0.200 19488 1848 1 8 . 1 1 38 38 THR CB C 38 69.301 69.301 68.896 0.405 19488 1849 1 8 . 1 1 38 38 THR H H 38 8.889 8.889 8.288 0.601 19488 1850 1 8 . 1 1 39 39 ARG N N 39 113.685 113.685 117.375 -3.690 19488 1851 1 8 . 1 1 39 39 ARG HA H 39 3.932 3.932 4.129 -0.197 19488 1852 1 8 . 1 1 39 39 ARG C C 39 174.683 174.683 174.633 0.050 19488 1853 1 8 . 1 1 39 39 ARG CA C 39 56.784 56.784 57.320 -0.536 19488 1854 1 8 . 1 1 39 39 ARG CB C 39 25.977 25.977 26.900 -0.923 19488 1855 1 8 . 1 1 39 39 ARG H H 39 8.059 8.059 7.750 0.309 19488 1856 1 8 . 1 1 40 40 GLN N N 40 118.874 118.874 117.340 1.534 19488 1857 1 8 . 1 1 40 40 GLN HA H 40 4.235 4.235 5.540 -1.305 19488 1858 1 8 . 1 1 40 40 GLN C C 40 174.846 174.846 175.568 -0.722 19488 1859 1 8 . 1 1 40 40 GLN CA C 40 56.092 56.092 54.300 1.792 19488 1860 1 8 . 1 1 40 40 GLN CB C 40 29.485 29.485 33.660 -4.175 19488 1861 1 8 . 1 1 40 40 GLN H H 40 7.689 7.689 8.450 -0.761 19488 1862 1 8 . 1 1 41 41 THR N N 41 110.442 110.442 117.174 -6.732 19488 1863 1 8 . 1 1 41 41 THR HA H 41 5.789 5.789 5.277 0.512 19488 1864 1 8 . 1 1 41 41 THR C C 41 174.892 174.892 172.448 2.444 19488 1865 1 8 . 1 1 41 41 THR CA C 41 59.109 59.109 60.977 -1.867 19488 1866 1 8 . 1 1 41 41 THR CB C 41 73.064 73.064 70.028 3.036 19488 1867 1 8 . 1 1 41 41 THR H H 41 8.149 8.149 8.356 -0.207 19488 1868 1 8 . 1 1 42 42 GLN N N 42 113.851 113.851 127.013 -13.162 19488 1869 1 8 . 1 1 42 42 GLN HA H 42 4.309 4.309 4.582 -0.273 19488 1870 1 8 . 1 1 42 42 GLN C C 42 174.849 174.849 174.575 0.274 19488 1871 1 8 . 1 1 42 42 GLN CA C 42 55.340 55.340 54.825 0.515 19488 1872 1 8 . 1 1 42 42 GLN CB C 42 32.221 32.221 31.782 0.439 19488 1873 1 8 . 1 1 42 42 GLN H H 42 9.092 9.092 9.342 -0.250 19488 1874 1 8 . 1 1 43 43 TRP N N 43 120.309 120.309 123.836 -3.527 19488 1875 1 8 . 1 1 43 43 TRP C C 43 176.109 176.109 176.069 0.040 19488 1876 1 8 . 1 1 43 43 TRP CA C 43 59.210 59.210 58.921 0.289 19488 1877 1 8 . 1 1 43 43 TRP CB C 43 31.257 31.257 29.750 1.507 19488 1878 1 8 . 1 1 43 43 TRP H H 43 8.988 8.988 8.171 0.817 19488 1879 1 8 . 1 1 44 44 ASP N N 44 116.214 116.214 119.633 -3.419 19488 1880 1 8 . 1 1 44 44 ASP HA H 44 5.048 5.048 4.837 0.211 19488 1881 1 8 . 1 1 44 44 ASP CA C 44 51.638 51.638 54.449 -2.811 19488 1882 1 8 . 1 1 44 44 ASP CB C 44 40.185 40.185 38.816 1.369 19488 1883 1 8 . 1 1 44 44 ASP H H 44 7.806 7.806 7.577 0.229 19488 1884 1 8 . 1 1 46 46 PRO HA H 46 3.744 3.744 4.366 -0.622 19488 1885 1 8 . 1 1 46 46 PRO C C 46 175.368 175.368 177.639 -2.271 19488 1886 1 8 . 1 1 46 46 PRO CA C 46 61.186 61.186 63.049 -1.863 19488 1887 1 8 . 1 1 46 46 PRO CB C 46 30.471 30.471 32.285 -1.813 19488 1888 1 8 . 1 1 47 47 THR N N 47 112.549 112.549 116.834 -4.285 19488 1889 1 8 . 1 1 47 47 THR HA H 47 4.140 4.140 4.189 -0.049 19488 1890 1 8 . 1 1 47 47 THR C C 47 174.132 174.132 175.016 -0.884 19488 1891 1 8 . 1 1 47 47 THR CA C 47 60.809 60.809 59.810 0.998 19488 1892 1 8 . 1 1 47 47 THR CB C 47 70.206 70.206 66.897 3.309 19488 1893 1 8 . 1 1 47 47 THR H H 47 7.706 7.706 8.404 -0.698 19488 1894 1 8 . 1 1 48 48 TRP N N 48 123.411 123.411 123.005 0.406 19488 1895 1 8 . 1 1 48 48 TRP HA H 48 4.340 4.340 4.340 0.000 19488 1896 1 8 . 1 1 48 48 TRP C C 48 175.852 175.852 175.989 -0.137 19488 1897 1 8 . 1 1 48 48 TRP CA C 48 57.750 57.750 59.036 -1.286 19488 1898 1 8 . 1 1 48 48 TRP CB C 48 29.261 29.261 29.803 -0.542 19488 1899 1 8 . 1 1 48 48 TRP H H 48 8.432 8.432 7.645 0.787 19488 1900 1 8 . 1 1 49 49 GLU N N 49 123.053 123.053 114.213 8.840 19488 1901 1 8 . 1 1 49 49 GLU HA H 49 4.157 4.157 4.973 -0.816 19488 1902 1 8 . 1 1 49 49 GLU C C 49 175.724 175.724 174.573 1.151 19488 1903 1 8 . 1 1 49 49 GLU CA C 49 56.016 56.016 54.856 1.159 19488 1904 1 8 . 1 1 49 49 GLU CB C 49 30.509 30.509 33.367 -2.858 19488 1905 1 8 . 1 1 49 49 GLU H H 49 8.246 8.246 7.564 0.682 19488 1906 1 8 . 1 1 50 50 SER N N 50 118.135 118.135 114.872 3.263 19488 1907 1 8 . 1 1 50 50 SER HA H 50 4.436 4.436 5.112 -0.676 19488 1908 1 8 . 1 1 50 50 SER CA C 50 56.119 56.119 55.595 0.524 19488 1909 1 8 . 1 1 50 50 SER CB C 50 63.309 63.309 64.926 -1.617 19488 1910 1 8 . 1 1 50 50 SER H H 50 8.228 8.228 8.497 -0.269 19488 1911 1 8 . 1 1 51 51 PRO HA H 51 4.299 4.299 4.430 -0.131 19488 1912 1 8 . 1 1 51 51 PRO C C 51 177.365 177.365 178.648 -1.283 19488 1913 1 8 . 1 1 51 51 PRO CA C 51 63.458 63.458 64.080 -0.622 19488 1914 1 8 . 1 1 51 51 PRO CB C 51 32.004 32.004 32.065 -0.061 19488 1915 1 8 . 1 1 52 52 GLY N N 52 109.163 109.163 105.094 4.069 19488 1916 1 8 . 1 1 52 52 GLY C C 52 173.865 173.865 175.587 -1.722 19488 1917 1 8 . 1 1 52 52 GLY CA C 52 45.040 45.040 46.309 -1.269 19488 1918 1 8 . 1 1 52 52 GLY H H 52 8.309 8.309 8.379 -0.070 19488 1919 1 8 . 1 1 53 53 ASP N N 53 120.553 120.553 120.284 0.269 19488 1920 1 8 . 1 1 53 53 ASP HA H 53 4.507 4.507 4.478 0.029 19488 1921 1 8 . 1 1 53 53 ASP C C 53 176.049 176.049 177.041 -0.992 19488 1922 1 8 . 1 1 53 53 ASP CA C 53 54.385 54.385 56.304 -1.919 19488 1923 1 8 . 1 1 53 53 ASP CB C 53 41.202 41.202 40.592 0.611 19488 1924 1 8 . 1 1 53 53 ASP H H 53 8.175 8.175 8.296 -0.121 19488 1925 1 8 . 1 1 54 54 ASP N N 54 119.209 119.209 118.939 0.270 19488 1926 1 8 . 1 1 54 54 ASP HA H 54 4.483 4.483 4.524 -0.041 19488 1927 1 8 . 1 1 54 54 ASP C C 54 175.804 175.804 177.236 -1.432 19488 1928 1 8 . 1 1 54 54 ASP CA C 54 54.197 54.197 55.032 -0.835 19488 1929 1 8 . 1 1 54 54 ASP CB C 54 40.934 40.934 41.950 -1.016 19488 1930 1 8 . 1 1 54 54 ASP H H 54 8.287 8.287 7.792 0.495 19488 1931 1 8 . 1 1 55 55 ALA N N 55 124.837 124.837 121.150 3.687 19488 1932 1 8 . 1 1 55 55 ALA HA H 55 4.186 4.186 3.903 0.283 19488 1933 1 8 . 1 1 55 55 ALA C C 55 176.839 176.839 177.112 -0.273 19488 1934 1 8 . 1 1 55 55 ALA CA C 55 52.271 52.271 53.723 -1.452 19488 1935 1 8 . 1 1 55 55 ALA CB C 55 19.294 19.294 17.705 1.589 19488 1936 1 8 . 1 1 55 55 ALA H H 55 8.119 8.119 7.921 0.198 19488 1937 1 9 . 1 1 2 2 SER N N 2 117.587 117.587 117.876 -0.289 19488 1938 1 9 . 1 1 2 2 SER HA H 2 4.412 4.412 4.115 0.297 19488 1939 1 9 . 1 1 2 2 SER C C 2 173.921 173.921 174.504 -0.583 19488 1940 1 9 . 1 1 2 2 SER CA C 2 58.253 58.253 60.360 -2.107 19488 1941 1 9 . 1 1 2 2 SER CB C 2 63.958 63.958 63.281 0.677 19488 1942 1 9 . 1 1 2 2 SER H H 2 8.036 8.036 7.614 0.422 19488 1943 1 9 . 1 1 3 3 ASP N N 3 122.646 122.646 119.708 2.938 19488 1944 1 9 . 1 1 3 3 ASP HA H 3 4.531 4.531 4.604 -0.073 19488 1945 1 9 . 1 1 3 3 ASP C C 3 175.710 175.710 175.482 0.228 19488 1946 1 9 . 1 1 3 3 ASP CA C 3 54.099 54.099 55.156 -1.057 19488 1947 1 9 . 1 1 3 3 ASP CB C 3 41.079 41.079 41.448 -0.369 19488 1948 1 9 . 1 1 3 3 ASP H H 3 8.453 8.453 8.073 0.380 19488 1949 1 9 . 1 1 4 4 LEU N N 4 123.784 123.784 119.187 4.597 19488 1950 1 9 . 1 1 4 4 LEU HA H 4 4.473 4.473 4.786 -0.313 19488 1951 1 9 . 1 1 4 4 LEU CA C 4 52.953 52.953 51.702 1.251 19488 1952 1 9 . 1 1 4 4 LEU CB C 4 41.653 41.653 44.639 -2.986 19488 1953 1 9 . 1 1 4 4 LEU H H 4 8.178 8.178 7.342 0.836 19488 1954 1 9 . 1 1 7 7 PRO HA H 7 4.448 4.448 4.537 -0.089 19488 1955 1 9 . 1 1 7 7 PRO C C 7 174.930 174.930 176.168 -1.238 19488 1956 1 9 . 1 1 7 7 PRO CA C 7 61.363 61.363 62.818 -1.455 19488 1957 1 9 . 1 1 7 7 PRO CB C 7 32.014 32.014 33.002 -0.988 19488 1958 1 9 . 1 1 8 8 SER N N 8 116.891 116.891 117.810 -0.919 19488 1959 1 9 . 1 1 8 8 SER HA H 8 3.980 3.980 4.731 -0.751 19488 1960 1 9 . 1 1 8 8 SER CA C 8 57.703 57.703 57.393 0.310 19488 1961 1 9 . 1 1 8 8 SER CB C 8 62.241 62.241 63.345 -1.104 19488 1962 1 9 . 1 1 8 8 SER H H 8 8.281 8.281 8.667 -0.386 19488 1963 1 9 . 1 1 14 14 THR C C 14 175.383 175.383 175.120 0.263 19488 1964 1 9 . 1 1 15 15 ILE N N 15 126.726 126.726 121.617 5.109 19488 1965 1 9 . 1 1 15 15 ILE HA H 15 4.075 4.075 3.998 0.077 19488 1966 1 9 . 1 1 15 15 ILE C C 15 175.223 175.223 176.167 -0.944 19488 1967 1 9 . 1 1 15 15 ILE CA C 15 60.716 60.716 60.879 -0.163 19488 1968 1 9 . 1 1 15 15 ILE CB C 15 38.878 38.878 38.996 -0.118 19488 1969 1 9 . 1 1 15 15 ILE H H 15 8.344 8.344 7.696 0.648 19488 1970 1 9 . 1 1 16 16 VAL N N 16 128.233 128.233 122.584 5.649 19488 1971 1 9 . 1 1 16 16 VAL HA H 16 4.041 4.041 3.886 0.155 19488 1972 1 9 . 1 1 16 16 VAL C C 16 175.413 175.413 175.030 0.383 19488 1973 1 9 . 1 1 16 16 VAL CA C 16 61.884 61.884 62.973 -1.089 19488 1974 1 9 . 1 1 16 16 VAL CB C 16 32.472 32.472 32.550 -0.078 19488 1975 1 9 . 1 1 16 16 VAL H H 16 8.374 8.374 7.994 0.380 19488 1976 1 9 . 1 1 17 17 LEU N N 17 128.084 128.084 117.767 10.317 19488 1977 1 9 . 1 1 17 17 LEU HA H 17 4.482 4.482 4.657 -0.175 19488 1978 1 9 . 1 1 17 17 LEU CA C 17 52.176 52.176 51.060 1.116 19488 1979 1 9 . 1 1 17 17 LEU CB C 17 42.034 42.034 42.306 -0.272 19488 1980 1 9 . 1 1 17 17 LEU H H 17 8.488 8.488 7.419 1.069 19488 1981 1 9 . 1 1 19 19 PRO HA H 19 4.110 4.110 4.572 -0.462 19488 1982 1 9 . 1 1 19 19 PRO C C 19 176.801 176.801 177.392 -0.591 19488 1983 1 9 . 1 1 19 19 PRO CA C 19 63.788 63.788 64.387 -0.599 19488 1984 1 9 . 1 1 19 19 PRO CB C 19 31.976 31.976 31.995 -0.019 19488 1985 1 9 . 1 1 20 20 ASN N N 20 111.397 111.397 115.267 -3.870 19488 1986 1 9 . 1 1 20 20 ASN HA H 20 3.898 3.898 4.482 -0.584 19488 1987 1 9 . 1 1 20 20 ASN C C 20 172.167 172.167 174.896 -2.729 19488 1988 1 9 . 1 1 20 20 ASN CA C 20 55.054 55.054 54.580 0.474 19488 1989 1 9 . 1 1 20 20 ASN CB C 20 36.712 36.712 38.267 -1.555 19488 1990 1 9 . 1 1 20 20 ASN H H 20 8.516 8.516 8.144 0.372 19488 1991 1 9 . 1 1 21 21 TRP N N 21 117.522 117.522 119.392 -1.870 19488 1992 1 9 . 1 1 21 21 TRP HA H 21 5.006 5.006 4.729 0.277 19488 1993 1 9 . 1 1 21 21 TRP C C 21 175.534 175.534 174.248 1.286 19488 1994 1 9 . 1 1 21 21 TRP CA C 21 57.056 57.056 56.255 0.801 19488 1995 1 9 . 1 1 21 21 TRP CB C 21 31.558 31.558 32.805 -1.247 19488 1996 1 9 . 1 1 21 21 TRP H H 21 7.317 7.317 7.660 -0.343 19488 1997 1 9 . 1 1 22 22 LYS N N 22 121.530 121.530 116.910 4.620 19488 1998 1 9 . 1 1 22 22 LYS HA H 22 4.457 4.457 4.682 -0.225 19488 1999 1 9 . 1 1 22 22 LYS C C 22 174.479 174.479 174.821 -0.342 19488 2000 1 9 . 1 1 22 22 LYS CA C 22 54.265 54.265 54.225 0.040 19488 2001 1 9 . 1 1 22 22 LYS CB C 22 37.342 37.342 35.332 2.010 19488 2002 1 9 . 1 1 22 22 LYS H H 22 8.947 8.947 7.544 1.403 19488 2003 1 9 . 1 1 23 23 THR N N 23 108.162 108.162 113.995 -5.833 19488 2004 1 9 . 1 1 23 23 THR HA H 23 4.961 4.961 4.626 0.335 19488 2005 1 9 . 1 1 23 23 THR C C 23 175.581 175.581 173.069 2.512 19488 2006 1 9 . 1 1 23 23 THR CA C 23 59.375 59.375 60.190 -0.815 19488 2007 1 9 . 1 1 23 23 THR CB C 23 71.708 71.708 69.620 2.088 19488 2008 1 9 . 1 1 23 23 THR H H 23 7.700 7.700 7.978 -0.278 19488 2009 1 9 . 1 1 24 24 ALA N N 24 124.178 124.178 128.809 -4.631 19488 2010 1 9 . 1 1 24 24 ALA HA H 24 4.243 4.243 4.480 -0.237 19488 2011 1 9 . 1 1 24 24 ALA C C 24 173.562 173.562 174.423 -0.861 19488 2012 1 9 . 1 1 24 24 ALA CA C 24 50.533 50.533 51.806 -1.273 19488 2013 1 9 . 1 1 24 24 ALA CB C 24 21.856 21.856 21.529 0.327 19488 2014 1 9 . 1 1 24 24 ALA H H 24 8.265 8.265 8.989 -0.724 19488 2015 1 9 . 1 1 25 25 ARG N N 25 115.093 115.093 120.280 -5.187 19488 2016 1 9 . 1 1 25 25 ARG HA H 25 5.222 5.222 4.989 0.233 19488 2017 1 9 . 1 1 25 25 ARG C C 25 176.749 176.749 174.997 1.752 19488 2018 1 9 . 1 1 25 25 ARG CA C 25 53.777 53.777 54.969 -1.192 19488 2019 1 9 . 1 1 25 25 ARG CB C 25 33.601 33.601 33.043 0.558 19488 2020 1 9 . 1 1 25 25 ARG H H 25 7.866 7.866 8.397 -0.531 19488 2021 1 9 . 1 1 26 26 ASP N N 26 126.621 126.621 123.555 3.066 19488 2022 1 9 . 1 1 26 26 ASP HA H 26 4.849 4.849 5.087 -0.238 19488 2023 1 9 . 1 1 26 26 ASP CA C 26 52.625 52.625 52.758 -0.133 19488 2024 1 9 . 1 1 26 26 ASP CB C 26 40.594 40.594 41.777 -1.183 19488 2025 1 9 . 1 1 26 26 ASP H H 26 9.377 9.377 8.789 0.588 19488 2026 1 9 . 1 1 27 27 PRO HA H 27 4.305 4.305 4.285 0.020 19488 2027 1 9 . 1 1 27 27 PRO C C 27 176.323 176.323 176.294 0.029 19488 2028 1 9 . 1 1 27 27 PRO CA C 27 65.656 65.656 64.687 0.969 19488 2029 1 9 . 1 1 27 27 PRO CB C 27 31.959 31.959 31.689 0.270 19488 2030 1 9 . 1 1 28 28 GLU N N 28 115.086 115.086 118.180 -3.094 19488 2031 1 9 . 1 1 28 28 GLU HA H 28 4.344 4.344 4.326 0.018 19488 2032 1 9 . 1 1 28 28 GLU CA C 28 55.671 55.671 55.579 0.092 19488 2033 1 9 . 1 1 28 28 GLU CB C 28 30.313 30.313 27.639 2.674 19488 2034 1 9 . 1 1 28 28 GLU H H 28 7.933 7.933 7.849 0.084 19488 2035 1 9 . 1 1 29 29 GLY N N 29 108.180 108.180 108.072 0.108 19488 2036 1 9 . 1 1 29 29 GLY C C 29 174.929 174.929 173.858 1.071 19488 2037 1 9 . 1 1 29 29 GLY CA C 29 45.348 45.348 46.100 -0.752 19488 2038 1 9 . 1 1 29 29 GLY H H 29 8.429 8.429 7.862 0.567 19488 2039 1 9 . 1 1 30 30 LYS N N 30 124.331 124.331 119.780 4.551 19488 2040 1 9 . 1 1 30 30 LYS C C 30 176.537 176.537 175.428 1.109 19488 2041 1 9 . 1 1 30 30 LYS CA C 30 57.723 57.723 54.908 2.815 19488 2042 1 9 . 1 1 30 30 LYS CB C 30 32.465 32.465 34.062 -1.597 19488 2043 1 9 . 1 1 30 30 LYS H H 30 8.895 8.895 7.592 1.303 19488 2044 1 9 . 1 1 31 31 ILE N N 31 125.574 125.574 122.969 2.605 19488 2045 1 9 . 1 1 31 31 ILE HA H 31 4.201 4.201 4.519 -0.318 19488 2046 1 9 . 1 1 31 31 ILE C C 31 174.866 174.866 175.530 -0.664 19488 2047 1 9 . 1 1 31 31 ILE CA C 31 61.221 61.221 58.634 2.587 19488 2048 1 9 . 1 1 31 31 ILE CB C 31 39.168 39.168 37.348 1.820 19488 2049 1 9 . 1 1 31 31 ILE H H 31 8.398 8.398 8.489 -0.091 19488 2050 1 9 . 1 1 32 32 TYR N N 32 120.913 120.913 121.306 -0.393 19488 2051 1 9 . 1 1 32 32 TYR HA H 32 4.944 4.944 5.063 -0.119 19488 2052 1 9 . 1 1 32 32 TYR C C 32 171.083 171.083 172.940 -1.857 19488 2053 1 9 . 1 1 32 32 TYR CA C 32 55.654 55.654 55.278 0.376 19488 2054 1 9 . 1 1 32 32 TYR CB C 32 39.566 39.566 40.933 -1.367 19488 2055 1 9 . 1 1 32 32 TYR H H 32 8.613 8.613 8.634 -0.021 19488 2056 1 9 . 1 1 33 33 TYR N N 33 116.422 116.422 120.674 -4.252 19488 2057 1 9 . 1 1 33 33 TYR HA H 33 5.290 5.290 4.803 0.487 19488 2058 1 9 . 1 1 33 33 TYR C C 33 175.406 175.406 173.392 2.014 19488 2059 1 9 . 1 1 33 33 TYR CA C 33 56.476 56.476 55.159 1.317 19488 2060 1 9 . 1 1 33 33 TYR CB C 33 41.891 41.891 41.834 0.056 19488 2061 1 9 . 1 1 33 33 TYR H H 33 8.644 8.644 9.027 -0.383 19488 2062 1 9 . 1 1 34 34 TYR N N 34 117.976 117.976 124.133 -6.157 19488 2063 1 9 . 1 1 34 34 TYR HA H 34 5.954 5.954 5.494 0.460 19488 2064 1 9 . 1 1 34 34 TYR C C 34 170.962 170.962 174.071 -3.109 19488 2065 1 9 . 1 1 34 34 TYR CA C 34 55.440 55.440 53.916 1.524 19488 2066 1 9 . 1 1 34 34 TYR CB C 34 43.569 43.569 40.709 2.860 19488 2067 1 9 . 1 1 34 34 TYR H H 34 9.266 9.266 8.644 0.622 19488 2068 1 9 . 1 1 35 35 HIS N N 35 124.263 124.263 119.486 4.777 19488 2069 1 9 . 1 1 35 35 HIS HA H 35 3.885 3.885 5.037 -1.152 19488 2070 1 9 . 1 1 35 35 HIS C C 35 178.636 178.636 175.901 2.735 19488 2071 1 9 . 1 1 35 35 HIS CA C 35 54.788 54.788 54.989 -0.201 19488 2072 1 9 . 1 1 35 35 HIS CB C 35 32.272 32.272 33.245 -0.973 19488 2073 1 9 . 1 1 35 35 HIS H H 35 7.644 7.644 9.193 -1.549 19488 2074 1 9 . 1 1 36 36 VAL N N 36 123.179 123.179 123.852 -0.673 19488 2075 1 9 . 1 1 36 36 VAL HA H 36 3.669 3.669 3.964 -0.295 19488 2076 1 9 . 1 1 36 36 VAL C C 36 176.537 176.537 176.569 -0.032 19488 2077 1 9 . 1 1 36 36 VAL CA C 36 64.572 64.572 63.864 0.708 19488 2078 1 9 . 1 1 36 36 VAL CB C 36 31.914 31.914 31.538 0.376 19488 2079 1 9 . 1 1 36 36 VAL H H 36 8.503 8.503 9.012 -0.509 19488 2080 1 9 . 1 1 37 37 ILE N N 37 120.710 120.710 118.450 2.260 19488 2081 1 9 . 1 1 37 37 ILE HA H 37 4.113 4.113 3.859 0.254 19488 2082 1 9 . 1 1 37 37 ILE C C 37 178.177 178.177 178.019 0.158 19488 2083 1 9 . 1 1 37 37 ILE CA C 37 62.557 62.557 64.015 -1.458 19488 2084 1 9 . 1 1 37 37 ILE CB C 37 38.116 38.116 38.095 0.021 19488 2085 1 9 . 1 1 37 37 ILE H H 37 8.845 8.845 8.314 0.531 19488 2086 1 9 . 1 1 38 38 THR N N 38 112.090 112.090 108.725 3.365 19488 2087 1 9 . 1 1 38 38 THR HA H 38 3.939 3.939 4.159 -0.220 19488 2088 1 9 . 1 1 38 38 THR C C 38 176.610 176.610 174.753 1.857 19488 2089 1 9 . 1 1 38 38 THR CA C 38 63.049 63.049 62.854 0.195 19488 2090 1 9 . 1 1 38 38 THR CB C 38 69.301 69.301 69.519 -0.218 19488 2091 1 9 . 1 1 38 38 THR H H 38 8.889 8.889 8.090 0.799 19488 2092 1 9 . 1 1 39 39 ARG N N 39 113.685 113.685 116.823 -3.138 19488 2093 1 9 . 1 1 39 39 ARG HA H 39 3.932 3.932 4.089 -0.157 19488 2094 1 9 . 1 1 39 39 ARG C C 39 174.683 174.683 174.418 0.265 19488 2095 1 9 . 1 1 39 39 ARG CA C 39 56.784 56.784 57.245 -0.461 19488 2096 1 9 . 1 1 39 39 ARG CB C 39 25.977 25.977 26.987 -1.010 19488 2097 1 9 . 1 1 39 39 ARG H H 39 8.059 8.059 7.918 0.141 19488 2098 1 9 . 1 1 40 40 GLN N N 40 118.874 118.874 116.806 2.068 19488 2099 1 9 . 1 1 40 40 GLN HA H 40 4.235 4.235 5.592 -1.357 19488 2100 1 9 . 1 1 40 40 GLN C C 40 174.846 174.846 175.113 -0.267 19488 2101 1 9 . 1 1 40 40 GLN CA C 40 56.092 56.092 54.355 1.737 19488 2102 1 9 . 1 1 40 40 GLN CB C 40 29.485 29.485 33.801 -4.316 19488 2103 1 9 . 1 1 40 40 GLN H H 40 7.689 7.689 7.942 -0.253 19488 2104 1 9 . 1 1 41 41 THR N N 41 110.442 110.442 114.437 -3.995 19488 2105 1 9 . 1 1 41 41 THR HA H 41 5.789 5.789 5.369 0.420 19488 2106 1 9 . 1 1 41 41 THR C C 41 174.892 174.892 173.923 0.969 19488 2107 1 9 . 1 1 41 41 THR CA C 41 59.109 59.109 59.821 -0.712 19488 2108 1 9 . 1 1 41 41 THR CB C 41 73.064 73.064 70.264 2.800 19488 2109 1 9 . 1 1 41 41 THR H H 41 8.149 8.149 8.297 -0.148 19488 2110 1 9 . 1 1 42 42 GLN N N 42 113.851 113.851 125.680 -11.829 19488 2111 1 9 . 1 1 42 42 GLN HA H 42 4.309 4.309 4.784 -0.475 19488 2112 1 9 . 1 1 42 42 GLN C C 42 174.849 174.849 176.017 -1.168 19488 2113 1 9 . 1 1 42 42 GLN CA C 42 55.340 55.340 54.516 0.824 19488 2114 1 9 . 1 1 42 42 GLN CB C 42 32.221 32.221 30.779 1.442 19488 2115 1 9 . 1 1 42 42 GLN H H 42 9.092 9.092 9.361 -0.269 19488 2116 1 9 . 1 1 43 43 TRP N N 43 120.309 120.309 124.807 -4.498 19488 2117 1 9 . 1 1 43 43 TRP C C 43 176.109 176.109 176.309 -0.200 19488 2118 1 9 . 1 1 43 43 TRP CA C 43 59.210 59.210 59.649 -0.439 19488 2119 1 9 . 1 1 43 43 TRP CB C 43 31.257 31.257 29.622 1.635 19488 2120 1 9 . 1 1 43 43 TRP H H 43 8.988 8.988 8.665 0.323 19488 2121 1 9 . 1 1 44 44 ASP N N 44 116.214 116.214 119.814 -3.600 19488 2122 1 9 . 1 1 44 44 ASP HA H 44 5.048 5.048 4.795 0.253 19488 2123 1 9 . 1 1 44 44 ASP CA C 44 51.638 51.638 54.131 -2.493 19488 2124 1 9 . 1 1 44 44 ASP CB C 44 40.185 40.185 39.919 0.266 19488 2125 1 9 . 1 1 44 44 ASP H H 44 7.806 7.806 7.538 0.268 19488 2126 1 9 . 1 1 46 46 PRO HA H 46 3.744 3.744 4.668 -0.924 19488 2127 1 9 . 1 1 46 46 PRO C C 46 175.368 175.368 177.139 -1.771 19488 2128 1 9 . 1 1 46 46 PRO CA C 46 61.186 61.186 62.354 -1.168 19488 2129 1 9 . 1 1 46 46 PRO CB C 46 30.471 30.471 33.162 -2.691 19488 2130 1 9 . 1 1 47 47 THR N N 47 112.549 112.549 115.156 -2.607 19488 2131 1 9 . 1 1 47 47 THR HA H 47 4.140 4.140 4.329 -0.189 19488 2132 1 9 . 1 1 47 47 THR C C 47 174.132 174.132 174.592 -0.460 19488 2133 1 9 . 1 1 47 47 THR CA C 47 60.809 60.809 61.846 -1.037 19488 2134 1 9 . 1 1 47 47 THR CB C 47 70.206 70.206 68.210 1.996 19488 2135 1 9 . 1 1 47 47 THR H H 47 7.706 7.706 8.713 -1.007 19488 2136 1 9 . 1 1 48 48 TRP N N 48 123.411 123.411 121.804 1.607 19488 2137 1 9 . 1 1 48 48 TRP HA H 48 4.340 4.340 4.759 -0.419 19488 2138 1 9 . 1 1 48 48 TRP C C 48 175.852 175.852 175.853 -0.001 19488 2139 1 9 . 1 1 48 48 TRP CA C 48 57.750 57.750 57.047 0.703 19488 2140 1 9 . 1 1 48 48 TRP CB C 48 29.261 29.261 30.727 -1.466 19488 2141 1 9 . 1 1 48 48 TRP H H 48 8.432 8.432 7.720 0.712 19488 2142 1 9 . 1 1 49 49 GLU N N 49 123.053 123.053 115.663 7.390 19488 2143 1 9 . 1 1 49 49 GLU HA H 49 4.157 4.157 4.587 -0.430 19488 2144 1 9 . 1 1 49 49 GLU C C 49 175.724 175.724 174.266 1.458 19488 2145 1 9 . 1 1 49 49 GLU CA C 49 56.016 56.016 54.991 1.025 19488 2146 1 9 . 1 1 49 49 GLU CB C 49 30.509 30.509 32.215 -1.706 19488 2147 1 9 . 1 1 49 49 GLU H H 49 8.246 8.246 7.533 0.713 19488 2148 1 9 . 1 1 50 50 SER N N 50 118.135 118.135 115.610 2.525 19488 2149 1 9 . 1 1 50 50 SER HA H 50 4.436 4.436 4.853 -0.417 19488 2150 1 9 . 1 1 50 50 SER CA C 50 56.119 56.119 54.256 1.863 19488 2151 1 9 . 1 1 50 50 SER CB C 50 63.309 63.309 64.687 -1.378 19488 2152 1 9 . 1 1 50 50 SER H H 50 8.228 8.228 8.491 -0.263 19488 2153 1 9 . 1 1 51 51 PRO HA H 51 4.299 4.299 4.369 -0.070 19488 2154 1 9 . 1 1 51 51 PRO C C 51 177.365 177.365 178.448 -1.083 19488 2155 1 9 . 1 1 51 51 PRO CA C 51 63.458 63.458 63.909 -0.451 19488 2156 1 9 . 1 1 51 51 PRO CB C 51 32.004 32.004 32.089 -0.084 19488 2157 1 9 . 1 1 52 52 GLY N N 52 109.163 109.163 106.999 2.164 19488 2158 1 9 . 1 1 52 52 GLY C C 52 173.865 173.865 175.941 -2.076 19488 2159 1 9 . 1 1 52 52 GLY CA C 52 45.040 45.040 46.390 -1.350 19488 2160 1 9 . 1 1 52 52 GLY H H 52 8.309 8.309 8.804 -0.495 19488 2161 1 9 . 1 1 53 53 ASP N N 53 120.553 120.553 121.553 -1.000 19488 2162 1 9 . 1 1 53 53 ASP HA H 53 4.507 4.507 4.339 0.168 19488 2163 1 9 . 1 1 53 53 ASP C C 53 176.049 176.049 177.878 -1.829 19488 2164 1 9 . 1 1 53 53 ASP CA C 53 54.385 54.385 57.764 -3.379 19488 2165 1 9 . 1 1 53 53 ASP CB C 53 41.202 41.202 40.758 0.444 19488 2166 1 9 . 1 1 53 53 ASP H H 53 8.175 8.175 8.477 -0.302 19488 2167 1 9 . 1 1 54 54 ASP N N 54 119.209 119.209 120.143 -0.934 19488 2168 1 9 . 1 1 54 54 ASP HA H 54 4.483 4.483 4.424 0.059 19488 2169 1 9 . 1 1 54 54 ASP C C 54 175.804 175.804 176.800 -0.996 19488 2170 1 9 . 1 1 54 54 ASP CA C 54 54.197 54.197 56.252 -2.055 19488 2171 1 9 . 1 1 54 54 ASP CB C 54 40.934 40.934 40.884 0.050 19488 2172 1 9 . 1 1 54 54 ASP H H 54 8.287 8.287 7.705 0.582 19488 2173 1 9 . 1 1 55 55 ALA N N 55 124.837 124.837 120.790 4.047 19488 2174 1 9 . 1 1 55 55 ALA HA H 55 4.186 4.186 4.523 -0.337 19488 2175 1 9 . 1 1 55 55 ALA C C 55 176.839 176.839 176.528 0.311 19488 2176 1 9 . 1 1 55 55 ALA CA C 55 52.271 52.271 52.051 0.220 19488 2177 1 9 . 1 1 55 55 ALA CB C 55 19.294 19.294 19.035 0.259 19488 2178 1 9 . 1 1 55 55 ALA H H 55 8.119 8.119 7.476 0.643 19488 2179 1 10 . 1 1 2 2 SER N N 2 117.587 117.587 114.886 2.701 19488 2180 1 10 . 1 1 2 2 SER HA H 2 4.412 4.412 4.209 0.203 19488 2181 1 10 . 1 1 2 2 SER C C 2 173.921 173.921 174.763 -0.842 19488 2182 1 10 . 1 1 2 2 SER CA C 2 58.253 58.253 59.868 -1.615 19488 2183 1 10 . 1 1 2 2 SER CB C 2 63.958 63.958 63.516 0.442 19488 2184 1 10 . 1 1 2 2 SER H H 2 8.036 8.036 7.447 0.589 19488 2185 1 10 . 1 1 3 3 ASP N N 3 122.646 122.646 119.771 2.875 19488 2186 1 10 . 1 1 3 3 ASP HA H 3 4.531 4.531 4.558 -0.027 19488 2187 1 10 . 1 1 3 3 ASP C C 3 175.710 175.710 175.454 0.256 19488 2188 1 10 . 1 1 3 3 ASP CA C 3 54.099 54.099 54.467 -0.368 19488 2189 1 10 . 1 1 3 3 ASP CB C 3 41.079 41.079 41.837 -0.757 19488 2190 1 10 . 1 1 3 3 ASP H H 3 8.453 8.453 7.721 0.732 19488 2191 1 10 . 1 1 4 4 LEU N N 4 123.784 123.784 119.550 4.234 19488 2192 1 10 . 1 1 4 4 LEU HA H 4 4.473 4.473 4.698 -0.225 19488 2193 1 10 . 1 1 4 4 LEU CA C 4 52.953 52.953 51.715 1.238 19488 2194 1 10 . 1 1 4 4 LEU CB C 4 41.653 41.653 44.736 -3.083 19488 2195 1 10 . 1 1 4 4 LEU H H 4 8.178 8.178 7.201 0.977 19488 2196 1 10 . 1 1 7 7 PRO HA H 7 4.448 4.448 4.576 -0.128 19488 2197 1 10 . 1 1 7 7 PRO C C 7 174.930 174.930 175.579 -0.649 19488 2198 1 10 . 1 1 7 7 PRO CA C 7 61.363 61.363 62.270 -0.907 19488 2199 1 10 . 1 1 7 7 PRO CB C 7 32.014 32.014 33.687 -1.673 19488 2200 1 10 . 1 1 8 8 SER N N 8 116.891 116.891 116.340 0.551 19488 2201 1 10 . 1 1 8 8 SER HA H 8 3.980 3.980 4.891 -0.911 19488 2202 1 10 . 1 1 8 8 SER CA C 8 57.703 57.703 55.139 2.564 19488 2203 1 10 . 1 1 8 8 SER CB C 8 62.241 62.241 64.661 -2.420 19488 2204 1 10 . 1 1 8 8 SER H H 8 8.281 8.281 8.514 -0.233 19488 2205 1 10 . 1 1 14 14 THR C C 14 175.383 175.383 175.084 0.299 19488 2206 1 10 . 1 1 15 15 ILE N N 15 126.726 126.726 121.965 4.761 19488 2207 1 10 . 1 1 15 15 ILE HA H 15 4.075 4.075 3.967 0.108 19488 2208 1 10 . 1 1 15 15 ILE C C 15 175.223 175.223 176.395 -1.172 19488 2209 1 10 . 1 1 15 15 ILE CA C 15 60.716 60.716 61.169 -0.453 19488 2210 1 10 . 1 1 15 15 ILE CB C 15 38.878 38.878 38.854 0.024 19488 2211 1 10 . 1 1 15 15 ILE H H 15 8.344 8.344 7.352 0.992 19488 2212 1 10 . 1 1 16 16 VAL N N 16 128.233 128.233 122.560 5.673 19488 2213 1 10 . 1 1 16 16 VAL HA H 16 4.041 4.041 3.602 0.439 19488 2214 1 10 . 1 1 16 16 VAL C C 16 175.413 175.413 174.222 1.191 19488 2215 1 10 . 1 1 16 16 VAL CA C 16 61.884 61.884 62.163 -0.280 19488 2216 1 10 . 1 1 16 16 VAL CB C 16 32.472 32.472 32.606 -0.134 19488 2217 1 10 . 1 1 16 16 VAL H H 16 8.374 8.374 7.948 0.426 19488 2218 1 10 . 1 1 17 17 LEU N N 17 128.084 128.084 122.463 5.621 19488 2219 1 10 . 1 1 17 17 LEU HA H 17 4.482 4.482 4.771 -0.289 19488 2220 1 10 . 1 1 17 17 LEU CA C 17 52.176 52.176 51.620 0.556 19488 2221 1 10 . 1 1 17 17 LEU CB C 17 42.034 42.034 42.890 -0.856 19488 2222 1 10 . 1 1 17 17 LEU H H 17 8.488 8.488 7.946 0.542 19488 2223 1 10 . 1 1 19 19 PRO HA H 19 4.110 4.110 4.256 -0.146 19488 2224 1 10 . 1 1 19 19 PRO C C 19 176.801 176.801 177.440 -0.639 19488 2225 1 10 . 1 1 19 19 PRO CA C 19 63.788 63.788 64.460 -0.672 19488 2226 1 10 . 1 1 19 19 PRO CB C 19 31.976 31.976 31.620 0.356 19488 2227 1 10 . 1 1 20 20 ASN N N 20 111.397 111.397 116.502 -5.105 19488 2228 1 10 . 1 1 20 20 ASN HA H 20 3.898 3.898 4.646 -0.748 19488 2229 1 10 . 1 1 20 20 ASN C C 20 172.167 172.167 175.405 -3.238 19488 2230 1 10 . 1 1 20 20 ASN CA C 20 55.054 55.054 55.179 -0.125 19488 2231 1 10 . 1 1 20 20 ASN CB C 20 36.712 36.712 38.789 -2.077 19488 2232 1 10 . 1 1 20 20 ASN H H 20 8.516 8.516 8.128 0.388 19488 2233 1 10 . 1 1 21 21 TRP N N 21 117.522 117.522 118.997 -1.475 19488 2234 1 10 . 1 1 21 21 TRP HA H 21 5.006 5.006 4.831 0.175 19488 2235 1 10 . 1 1 21 21 TRP C C 21 175.534 175.534 174.851 0.683 19488 2236 1 10 . 1 1 21 21 TRP CA C 21 57.056 57.056 56.645 0.411 19488 2237 1 10 . 1 1 21 21 TRP CB C 21 31.558 31.558 31.644 -0.086 19488 2238 1 10 . 1 1 21 21 TRP H H 21 7.317 7.317 7.598 -0.281 19488 2239 1 10 . 1 1 22 22 LYS N N 22 121.530 121.530 117.000 4.530 19488 2240 1 10 . 1 1 22 22 LYS HA H 22 4.457 4.457 4.790 -0.333 19488 2241 1 10 . 1 1 22 22 LYS C C 22 174.479 174.479 175.642 -1.163 19488 2242 1 10 . 1 1 22 22 LYS CA C 22 54.265 54.265 53.474 0.791 19488 2243 1 10 . 1 1 22 22 LYS CB C 22 37.342 37.342 34.999 2.343 19488 2244 1 10 . 1 1 22 22 LYS H H 22 8.947 8.947 7.581 1.366 19488 2245 1 10 . 1 1 23 23 THR N N 23 108.162 108.162 111.931 -3.769 19488 2246 1 10 . 1 1 23 23 THR HA H 23 4.961 4.961 4.295 0.666 19488 2247 1 10 . 1 1 23 23 THR C C 23 175.581 175.581 173.226 2.355 19488 2248 1 10 . 1 1 23 23 THR CA C 23 59.375 59.375 60.646 -1.271 19488 2249 1 10 . 1 1 23 23 THR CB C 23 71.708 71.708 68.869 2.839 19488 2250 1 10 . 1 1 23 23 THR H H 23 7.700 7.700 7.992 -0.292 19488 2251 1 10 . 1 1 24 24 ALA N N 24 124.178 124.178 127.295 -3.117 19488 2252 1 10 . 1 1 24 24 ALA HA H 24 4.243 4.243 4.285 -0.042 19488 2253 1 10 . 1 1 24 24 ALA C C 24 173.562 173.562 174.044 -0.482 19488 2254 1 10 . 1 1 24 24 ALA CA C 24 50.533 50.533 50.328 0.205 19488 2255 1 10 . 1 1 24 24 ALA CB C 24 21.856 21.856 21.506 0.350 19488 2256 1 10 . 1 1 24 24 ALA H H 24 8.265 8.265 7.983 0.282 19488 2257 1 10 . 1 1 25 25 ARG N N 25 115.093 115.093 118.168 -3.075 19488 2258 1 10 . 1 1 25 25 ARG HA H 25 5.222 5.222 4.537 0.685 19488 2259 1 10 . 1 1 25 25 ARG C C 25 176.749 176.749 175.117 1.632 19488 2260 1 10 . 1 1 25 25 ARG CA C 25 53.777 53.777 54.330 -0.553 19488 2261 1 10 . 1 1 25 25 ARG CB C 25 33.601 33.601 33.878 -0.277 19488 2262 1 10 . 1 1 25 25 ARG H H 25 7.866 7.866 7.972 -0.106 19488 2263 1 10 . 1 1 26 26 ASP N N 26 126.621 126.621 121.218 5.403 19488 2264 1 10 . 1 1 26 26 ASP HA H 26 4.849 4.849 5.055 -0.206 19488 2265 1 10 . 1 1 26 26 ASP CA C 26 52.625 52.625 52.501 0.124 19488 2266 1 10 . 1 1 26 26 ASP CB C 26 40.594 40.594 41.166 -0.572 19488 2267 1 10 . 1 1 26 26 ASP H H 26 9.377 9.377 8.855 0.522 19488 2268 1 10 . 1 1 27 27 PRO HA H 27 4.305 4.305 4.404 -0.099 19488 2269 1 10 . 1 1 27 27 PRO C C 27 176.323 176.323 176.388 -0.065 19488 2270 1 10 . 1 1 27 27 PRO CA C 27 65.656 65.656 64.375 1.281 19488 2271 1 10 . 1 1 27 27 PRO CB C 27 31.959 31.959 31.986 -0.027 19488 2272 1 10 . 1 1 28 28 GLU N N 28 115.086 115.086 118.847 -3.761 19488 2273 1 10 . 1 1 28 28 GLU HA H 28 4.344 4.344 4.329 0.015 19488 2274 1 10 . 1 1 28 28 GLU CA C 28 55.671 55.671 55.383 0.288 19488 2275 1 10 . 1 1 28 28 GLU CB C 28 30.313 30.313 28.312 2.001 19488 2276 1 10 . 1 1 28 28 GLU H H 28 7.933 7.933 8.069 -0.136 19488 2277 1 10 . 1 1 29 29 GLY N N 29 108.180 108.180 107.611 0.569 19488 2278 1 10 . 1 1 29 29 GLY C C 29 174.929 174.929 173.820 1.109 19488 2279 1 10 . 1 1 29 29 GLY CA C 29 45.348 45.348 46.099 -0.751 19488 2280 1 10 . 1 1 29 29 GLY H H 29 8.429 8.429 7.740 0.689 19488 2281 1 10 . 1 1 30 30 LYS N N 30 124.331 124.331 119.891 4.440 19488 2282 1 10 . 1 1 30 30 LYS C C 30 176.537 176.537 175.078 1.459 19488 2283 1 10 . 1 1 30 30 LYS CA C 30 57.723 57.723 54.710 3.013 19488 2284 1 10 . 1 1 30 30 LYS CB C 30 32.465 32.465 33.121 -0.656 19488 2285 1 10 . 1 1 30 30 LYS H H 30 8.895 8.895 7.763 1.132 19488 2286 1 10 . 1 1 31 31 ILE N N 31 125.574 125.574 124.020 1.554 19488 2287 1 10 . 1 1 31 31 ILE HA H 31 4.201 4.201 4.394 -0.193 19488 2288 1 10 . 1 1 31 31 ILE C C 31 174.866 174.866 175.132 -0.266 19488 2289 1 10 . 1 1 31 31 ILE CA C 31 61.221 61.221 59.805 1.416 19488 2290 1 10 . 1 1 31 31 ILE CB C 31 39.168 39.168 38.413 0.756 19488 2291 1 10 . 1 1 31 31 ILE H H 31 8.398 8.398 8.445 -0.047 19488 2292 1 10 . 1 1 32 32 TYR N N 32 120.913 120.913 123.533 -2.620 19488 2293 1 10 . 1 1 32 32 TYR HA H 32 4.944 4.944 5.143 -0.199 19488 2294 1 10 . 1 1 32 32 TYR C C 32 171.083 171.083 173.016 -1.933 19488 2295 1 10 . 1 1 32 32 TYR CA C 32 55.654 55.654 55.131 0.523 19488 2296 1 10 . 1 1 32 32 TYR CB C 32 39.566 39.566 40.227 -0.661 19488 2297 1 10 . 1 1 32 32 TYR H H 32 8.613 8.613 8.539 0.075 19488 2298 1 10 . 1 1 33 33 TYR N N 33 116.422 116.422 116.943 -0.521 19488 2299 1 10 . 1 1 33 33 TYR HA H 33 5.290 5.290 4.833 0.457 19488 2300 1 10 . 1 1 33 33 TYR C C 33 175.406 175.406 175.030 0.376 19488 2301 1 10 . 1 1 33 33 TYR CA C 33 56.476 56.476 55.933 0.543 19488 2302 1 10 . 1 1 33 33 TYR CB C 33 41.891 41.891 40.846 1.045 19488 2303 1 10 . 1 1 33 33 TYR H H 33 8.644 8.644 9.024 -0.380 19488 2304 1 10 . 1 1 34 34 TYR N N 34 117.976 117.976 117.921 0.055 19488 2305 1 10 . 1 1 34 34 TYR HA H 34 5.954 5.954 5.281 0.673 19488 2306 1 10 . 1 1 34 34 TYR C C 34 170.962 170.962 173.880 -2.918 19488 2307 1 10 . 1 1 34 34 TYR CA C 34 55.440 55.440 54.265 1.175 19488 2308 1 10 . 1 1 34 34 TYR CB C 34 43.569 43.569 40.586 2.983 19488 2309 1 10 . 1 1 34 34 TYR H H 34 9.266 9.266 9.160 0.106 19488 2310 1 10 . 1 1 35 35 HIS N N 35 124.263 124.263 120.832 3.431 19488 2311 1 10 . 1 1 35 35 HIS HA H 35 3.885 3.885 5.322 -1.437 19488 2312 1 10 . 1 1 35 35 HIS C C 35 178.636 178.636 175.961 2.675 19488 2313 1 10 . 1 1 35 35 HIS CA C 35 54.788 54.788 54.544 0.244 19488 2314 1 10 . 1 1 35 35 HIS CB C 35 32.272 32.272 33.361 -1.089 19488 2315 1 10 . 1 1 35 35 HIS H H 35 7.644 7.644 9.258 -1.614 19488 2316 1 10 . 1 1 36 36 VAL N N 36 123.179 123.179 123.241 -0.062 19488 2317 1 10 . 1 1 36 36 VAL HA H 36 3.669 3.669 3.773 -0.104 19488 2318 1 10 . 1 1 36 36 VAL C C 36 176.537 176.537 176.791 -0.254 19488 2319 1 10 . 1 1 36 36 VAL CA C 36 64.572 64.572 64.145 0.427 19488 2320 1 10 . 1 1 36 36 VAL CB C 36 31.914 31.914 31.495 0.419 19488 2321 1 10 . 1 1 36 36 VAL H H 36 8.503 8.503 8.939 -0.436 19488 2322 1 10 . 1 1 37 37 ILE N N 37 120.710 120.710 118.655 2.055 19488 2323 1 10 . 1 1 37 37 ILE HA H 37 4.113 4.113 3.800 0.313 19488 2324 1 10 . 1 1 37 37 ILE C C 37 178.177 178.177 177.863 0.314 19488 2325 1 10 . 1 1 37 37 ILE CA C 37 62.557 62.557 64.490 -1.933 19488 2326 1 10 . 1 1 37 37 ILE CB C 37 38.116 38.116 37.587 0.529 19488 2327 1 10 . 1 1 37 37 ILE H H 37 8.845 8.845 8.401 0.444 19488 2328 1 10 . 1 1 38 38 THR N N 38 112.090 112.090 109.512 2.578 19488 2329 1 10 . 1 1 38 38 THR HA H 38 3.939 3.939 4.142 -0.203 19488 2330 1 10 . 1 1 38 38 THR C C 38 176.610 176.610 175.102 1.508 19488 2331 1 10 . 1 1 38 38 THR CA C 38 63.049 63.049 62.668 0.381 19488 2332 1 10 . 1 1 38 38 THR CB C 38 69.301 69.301 68.931 0.370 19488 2333 1 10 . 1 1 38 38 THR H H 38 8.889 8.889 8.236 0.653 19488 2334 1 10 . 1 1 39 39 ARG N N 39 113.685 113.685 117.262 -3.577 19488 2335 1 10 . 1 1 39 39 ARG HA H 39 3.932 3.932 4.117 -0.185 19488 2336 1 10 . 1 1 39 39 ARG C C 39 174.683 174.683 174.649 0.034 19488 2337 1 10 . 1 1 39 39 ARG CA C 39 56.784 56.784 57.283 -0.499 19488 2338 1 10 . 1 1 39 39 ARG CB C 39 25.977 25.977 26.971 -0.994 19488 2339 1 10 . 1 1 39 39 ARG H H 39 8.059 8.059 7.775 0.284 19488 2340 1 10 . 1 1 40 40 GLN N N 40 118.874 118.874 116.725 2.149 19488 2341 1 10 . 1 1 40 40 GLN HA H 40 4.235 4.235 5.715 -1.480 19488 2342 1 10 . 1 1 40 40 GLN C C 40 174.846 174.846 175.618 -0.772 19488 2343 1 10 . 1 1 40 40 GLN CA C 40 56.092 56.092 53.739 2.353 19488 2344 1 10 . 1 1 40 40 GLN CB C 40 29.485 29.485 33.672 -4.187 19488 2345 1 10 . 1 1 40 40 GLN H H 40 7.689 7.689 8.106 -0.417 19488 2346 1 10 . 1 1 41 41 THR N N 41 110.442 110.442 113.567 -3.125 19488 2347 1 10 . 1 1 41 41 THR HA H 41 5.789 5.789 5.140 0.649 19488 2348 1 10 . 1 1 41 41 THR C C 41 174.892 174.892 173.731 1.161 19488 2349 1 10 . 1 1 41 41 THR CA C 41 59.109 59.109 60.116 -1.007 19488 2350 1 10 . 1 1 41 41 THR CB C 41 73.064 73.064 70.838 2.225 19488 2351 1 10 . 1 1 41 41 THR H H 41 8.149 8.149 8.287 -0.138 19488 2352 1 10 . 1 1 42 42 GLN N N 42 113.851 113.851 125.233 -11.382 19488 2353 1 10 . 1 1 42 42 GLN HA H 42 4.309 4.309 4.756 -0.447 19488 2354 1 10 . 1 1 42 42 GLN C C 42 174.849 174.849 175.012 -0.163 19488 2355 1 10 . 1 1 42 42 GLN CA C 42 55.340 55.340 55.105 0.235 19488 2356 1 10 . 1 1 42 42 GLN CB C 42 32.221 32.221 31.571 0.650 19488 2357 1 10 . 1 1 42 42 GLN H H 42 9.092 9.092 9.237 -0.145 19488 2358 1 10 . 1 1 43 43 TRP N N 43 120.309 120.309 125.098 -4.789 19488 2359 1 10 . 1 1 43 43 TRP C C 43 176.109 176.109 175.489 0.620 19488 2360 1 10 . 1 1 43 43 TRP CA C 43 59.210 59.210 58.484 0.726 19488 2361 1 10 . 1 1 43 43 TRP CB C 43 31.257 31.257 29.512 1.745 19488 2362 1 10 . 1 1 43 43 TRP H H 43 8.988 8.988 8.718 0.270 19488 2363 1 10 . 1 1 44 44 ASP N N 44 116.214 116.214 120.313 -4.099 19488 2364 1 10 . 1 1 44 44 ASP HA H 44 5.048 5.048 4.475 0.573 19488 2365 1 10 . 1 1 44 44 ASP CA C 44 51.638 51.638 53.308 -1.670 19488 2366 1 10 . 1 1 44 44 ASP CB C 44 40.185 40.185 39.258 0.928 19488 2367 1 10 . 1 1 44 44 ASP H H 44 7.806 7.806 7.392 0.414 19488 2368 1 10 . 1 1 46 46 PRO HA H 46 3.744 3.744 4.197 -0.454 19488 2369 1 10 . 1 1 46 46 PRO C C 46 175.368 175.368 175.959 -0.591 19488 2370 1 10 . 1 1 46 46 PRO CA C 46 61.186 61.186 61.799 -0.613 19488 2371 1 10 . 1 1 46 46 PRO CB C 46 30.471 30.471 32.481 -2.010 19488 2372 1 10 . 1 1 47 47 THR N N 47 112.549 112.549 112.934 -0.385 19488 2373 1 10 . 1 1 47 47 THR HA H 47 4.140 4.140 4.245 -0.105 19488 2374 1 10 . 1 1 47 47 THR C C 47 174.132 174.132 174.531 -0.399 19488 2375 1 10 . 1 1 47 47 THR CA C 47 60.809 60.809 62.989 -2.180 19488 2376 1 10 . 1 1 47 47 THR CB C 47 70.206 70.206 68.314 1.893 19488 2377 1 10 . 1 1 47 47 THR H H 47 7.706 7.706 8.295 -0.589 19488 2378 1 10 . 1 1 48 48 TRP N N 48 123.411 123.411 127.876 -4.465 19488 2379 1 10 . 1 1 48 48 TRP HA H 48 4.340 4.340 4.449 -0.109 19488 2380 1 10 . 1 1 48 48 TRP C C 48 175.852 175.852 176.087 -0.235 19488 2381 1 10 . 1 1 48 48 TRP CA C 48 57.750 57.750 58.844 -1.094 19488 2382 1 10 . 1 1 48 48 TRP CB C 48 29.261 29.261 30.192 -0.931 19488 2383 1 10 . 1 1 48 48 TRP H H 48 8.432 8.432 8.938 -0.506 19488 2384 1 10 . 1 1 49 49 GLU N N 49 123.053 123.053 119.364 3.689 19488 2385 1 10 . 1 1 49 49 GLU HA H 49 4.157 4.157 4.471 -0.314 19488 2386 1 10 . 1 1 49 49 GLU C C 49 175.724 175.724 174.496 1.228 19488 2387 1 10 . 1 1 49 49 GLU CA C 49 56.016 56.016 54.370 1.646 19488 2388 1 10 . 1 1 49 49 GLU CB C 49 30.509 30.509 31.739 -1.230 19488 2389 1 10 . 1 1 49 49 GLU H H 49 8.246 8.246 8.222 0.024 19488 2390 1 10 . 1 1 50 50 SER N N 50 118.135 118.135 116.034 2.101 19488 2391 1 10 . 1 1 50 50 SER HA H 50 4.436 4.436 4.831 -0.395 19488 2392 1 10 . 1 1 50 50 SER CA C 50 56.119 56.119 55.714 0.405 19488 2393 1 10 . 1 1 50 50 SER CB C 50 63.309 63.309 63.666 -0.358 19488 2394 1 10 . 1 1 50 50 SER H H 50 8.228 8.228 8.323 -0.095 19488 2395 1 10 . 1 1 51 51 PRO HA H 51 4.299 4.299 4.463 -0.164 19488 2396 1 10 . 1 1 51 51 PRO C C 51 177.365 177.365 178.096 -0.731 19488 2397 1 10 . 1 1 51 51 PRO CA C 51 63.458 63.458 62.507 0.952 19488 2398 1 10 . 1 1 51 51 PRO CB C 51 32.004 32.004 32.261 -0.257 19488 2399 1 10 . 1 1 52 52 GLY N N 52 109.163 109.163 106.769 2.394 19488 2400 1 10 . 1 1 52 52 GLY C C 52 173.865 173.865 175.067 -1.202 19488 2401 1 10 . 1 1 52 52 GLY CA C 52 45.040 45.040 46.670 -1.630 19488 2402 1 10 . 1 1 52 52 GLY H H 52 8.309 8.309 8.587 -0.278 19488 2403 1 10 . 1 1 53 53 ASP N N 53 120.553 120.553 118.468 2.085 19488 2404 1 10 . 1 1 53 53 ASP HA H 53 4.507 4.507 4.568 -0.061 19488 2405 1 10 . 1 1 53 53 ASP C C 53 176.049 176.049 178.263 -2.214 19488 2406 1 10 . 1 1 53 53 ASP CA C 53 54.385 54.385 56.379 -1.994 19488 2407 1 10 . 1 1 53 53 ASP CB C 53 41.202 41.202 40.473 0.729 19488 2408 1 10 . 1 1 53 53 ASP H H 53 8.175 8.175 8.402 -0.227 19488 2409 1 10 . 1 1 54 54 ASP N N 54 119.209 119.209 120.267 -1.058 19488 2410 1 10 . 1 1 54 54 ASP HA H 54 4.483 4.483 4.600 -0.117 19488 2411 1 10 . 1 1 54 54 ASP C C 54 175.804 175.804 176.988 -1.184 19488 2412 1 10 . 1 1 54 54 ASP CA C 54 54.197 54.197 55.633 -1.436 19488 2413 1 10 . 1 1 54 54 ASP CB C 54 40.934 40.934 40.986 -0.052 19488 2414 1 10 . 1 1 54 54 ASP H H 54 8.287 8.287 8.194 0.093 19488 2415 1 10 . 1 1 55 55 ALA N N 55 124.837 124.837 124.000 0.837 19488 2416 1 10 . 1 1 55 55 ALA HA H 55 4.186 4.186 4.504 -0.318 19488 2417 1 10 . 1 1 55 55 ALA C C 55 176.839 176.839 176.392 0.447 19488 2418 1 10 . 1 1 55 55 ALA CA C 55 52.271 52.271 51.417 0.854 19488 2419 1 10 . 1 1 55 55 ALA CB C 55 19.294 19.294 17.598 1.696 19488 2420 1 10 . 1 1 55 55 ALA H H 55 8.119 8.119 7.957 0.162 19488 2421 1 11 . 1 1 2 2 SER N N 2 117.587 117.587 119.379 -1.792 19488 2422 1 11 . 1 1 2 2 SER HA H 2 4.412 4.412 4.320 0.092 19488 2423 1 11 . 1 1 2 2 SER C C 2 173.921 173.921 174.624 -0.703 19488 2424 1 11 . 1 1 2 2 SER CA C 2 58.253 58.253 61.428 -3.175 19488 2425 1 11 . 1 1 2 2 SER CB C 2 63.958 63.958 63.764 0.194 19488 2426 1 11 . 1 1 2 2 SER H H 2 8.036 8.036 8.795 -0.759 19488 2427 1 11 . 1 1 3 3 ASP N N 3 122.646 122.646 118.636 4.010 19488 2428 1 11 . 1 1 3 3 ASP HA H 3 4.531 4.531 4.633 -0.102 19488 2429 1 11 . 1 1 3 3 ASP C C 3 175.710 175.710 174.800 0.910 19488 2430 1 11 . 1 1 3 3 ASP CA C 3 54.099 54.099 55.230 -1.131 19488 2431 1 11 . 1 1 3 3 ASP CB C 3 41.079 41.079 41.358 -0.279 19488 2432 1 11 . 1 1 3 3 ASP H H 3 8.453 8.453 8.332 0.121 19488 2433 1 11 . 1 1 4 4 LEU N N 4 123.784 123.784 120.136 3.648 19488 2434 1 11 . 1 1 4 4 LEU HA H 4 4.473 4.473 4.922 -0.449 19488 2435 1 11 . 1 1 4 4 LEU CA C 4 52.953 52.953 51.898 1.054 19488 2436 1 11 . 1 1 4 4 LEU CB C 4 41.653 41.653 45.439 -3.786 19488 2437 1 11 . 1 1 4 4 LEU H H 4 8.178 8.178 7.688 0.490 19488 2438 1 11 . 1 1 7 7 PRO HA H 7 4.448 4.448 4.601 -0.153 19488 2439 1 11 . 1 1 7 7 PRO C C 7 174.930 174.930 175.771 -0.841 19488 2440 1 11 . 1 1 7 7 PRO CA C 7 61.363 61.363 62.194 -0.831 19488 2441 1 11 . 1 1 7 7 PRO CB C 7 32.014 32.014 32.768 -0.754 19488 2442 1 11 . 1 1 8 8 SER N N 8 116.891 116.891 116.417 0.474 19488 2443 1 11 . 1 1 8 8 SER HA H 8 3.980 3.980 4.901 -0.921 19488 2444 1 11 . 1 1 8 8 SER CA C 8 57.703 57.703 55.475 2.228 19488 2445 1 11 . 1 1 8 8 SER CB C 8 62.241 62.241 63.581 -1.340 19488 2446 1 11 . 1 1 8 8 SER H H 8 8.281 8.281 8.695 -0.414 19488 2447 1 11 . 1 1 14 14 THR C C 14 175.383 175.383 173.990 1.393 19488 2448 1 11 . 1 1 15 15 ILE N N 15 126.726 126.726 123.000 3.726 19488 2449 1 11 . 1 1 15 15 ILE HA H 15 4.075 4.075 3.827 0.248 19488 2450 1 11 . 1 1 15 15 ILE C C 15 175.223 175.223 176.234 -1.011 19488 2451 1 11 . 1 1 15 15 ILE CA C 15 60.716 60.716 60.939 -0.223 19488 2452 1 11 . 1 1 15 15 ILE CB C 15 38.878 38.878 38.365 0.513 19488 2453 1 11 . 1 1 15 15 ILE H H 15 8.344 8.344 7.812 0.532 19488 2454 1 11 . 1 1 16 16 VAL N N 16 128.233 128.233 128.287 -0.054 19488 2455 1 11 . 1 1 16 16 VAL HA H 16 4.041 4.041 3.864 0.177 19488 2456 1 11 . 1 1 16 16 VAL C C 16 175.413 175.413 174.798 0.615 19488 2457 1 11 . 1 1 16 16 VAL CA C 16 61.884 61.884 62.205 -0.321 19488 2458 1 11 . 1 1 16 16 VAL CB C 16 32.472 32.472 32.419 0.053 19488 2459 1 11 . 1 1 16 16 VAL H H 16 8.374 8.374 8.052 0.322 19488 2460 1 11 . 1 1 17 17 LEU N N 17 128.084 128.084 121.375 6.709 19488 2461 1 11 . 1 1 17 17 LEU HA H 17 4.482 4.482 4.625 -0.143 19488 2462 1 11 . 1 1 17 17 LEU CA C 17 52.176 52.176 50.864 1.312 19488 2463 1 11 . 1 1 17 17 LEU CB C 17 42.034 42.034 42.045 -0.011 19488 2464 1 11 . 1 1 17 17 LEU H H 17 8.488 8.488 7.871 0.617 19488 2465 1 11 . 1 1 19 19 PRO HA H 19 4.110 4.110 3.921 0.189 19488 2466 1 11 . 1 1 19 19 PRO C C 19 176.801 176.801 176.447 0.354 19488 2467 1 11 . 1 1 19 19 PRO CA C 19 63.788 63.788 64.055 -0.267 19488 2468 1 11 . 1 1 19 19 PRO CB C 19 31.976 31.976 31.629 0.347 19488 2469 1 11 . 1 1 20 20 ASN N N 20 111.397 111.397 114.748 -3.351 19488 2470 1 11 . 1 1 20 20 ASN HA H 20 3.898 3.898 4.429 -0.531 19488 2471 1 11 . 1 1 20 20 ASN C C 20 172.167 172.167 175.696 -3.529 19488 2472 1 11 . 1 1 20 20 ASN CA C 20 55.054 55.054 53.969 1.085 19488 2473 1 11 . 1 1 20 20 ASN CB C 20 36.712 36.712 37.797 -1.085 19488 2474 1 11 . 1 1 20 20 ASN H H 20 8.516 8.516 8.116 0.400 19488 2475 1 11 . 1 1 21 21 TRP N N 21 117.522 117.522 120.290 -2.768 19488 2476 1 11 . 1 1 21 21 TRP HA H 21 5.006 5.006 4.438 0.568 19488 2477 1 11 . 1 1 21 21 TRP C C 21 175.534 175.534 174.897 0.637 19488 2478 1 11 . 1 1 21 21 TRP CA C 21 57.056 57.056 56.925 0.132 19488 2479 1 11 . 1 1 21 21 TRP CB C 21 31.558 31.558 30.180 1.378 19488 2480 1 11 . 1 1 21 21 TRP H H 21 7.317 7.317 7.124 0.193 19488 2481 1 11 . 1 1 22 22 LYS N N 22 121.530 121.530 117.493 4.037 19488 2482 1 11 . 1 1 22 22 LYS HA H 22 4.457 4.457 4.841 -0.384 19488 2483 1 11 . 1 1 22 22 LYS C C 22 174.479 174.479 175.629 -1.150 19488 2484 1 11 . 1 1 22 22 LYS CA C 22 54.265 54.265 54.002 0.263 19488 2485 1 11 . 1 1 22 22 LYS CB C 22 37.342 37.342 36.194 1.148 19488 2486 1 11 . 1 1 22 22 LYS H H 22 8.947 8.947 8.071 0.876 19488 2487 1 11 . 1 1 23 23 THR N N 23 108.162 108.162 111.971 -3.809 19488 2488 1 11 . 1 1 23 23 THR HA H 23 4.961 4.961 4.817 0.144 19488 2489 1 11 . 1 1 23 23 THR C C 23 175.581 175.581 173.694 1.887 19488 2490 1 11 . 1 1 23 23 THR CA C 23 59.375 59.375 60.364 -0.989 19488 2491 1 11 . 1 1 23 23 THR CB C 23 71.708 71.708 70.313 1.395 19488 2492 1 11 . 1 1 23 23 THR H H 23 7.700 7.700 8.309 -0.609 19488 2493 1 11 . 1 1 24 24 ALA N N 24 124.178 124.178 124.023 0.155 19488 2494 1 11 . 1 1 24 24 ALA HA H 24 4.243 4.243 4.485 -0.242 19488 2495 1 11 . 1 1 24 24 ALA C C 24 173.562 173.562 173.870 -0.308 19488 2496 1 11 . 1 1 24 24 ALA CA C 24 50.533 50.533 51.223 -0.690 19488 2497 1 11 . 1 1 24 24 ALA CB C 24 21.856 21.856 22.048 -0.192 19488 2498 1 11 . 1 1 24 24 ALA H H 24 8.265 8.265 8.597 -0.332 19488 2499 1 11 . 1 1 25 25 ARG N N 25 115.093 115.093 119.473 -4.380 19488 2500 1 11 . 1 1 25 25 ARG HA H 25 5.222 5.222 4.665 0.557 19488 2501 1 11 . 1 1 25 25 ARG C C 25 176.749 176.749 175.078 1.671 19488 2502 1 11 . 1 1 25 25 ARG CA C 25 53.777 53.777 54.697 -0.920 19488 2503 1 11 . 1 1 25 25 ARG CB C 25 33.601 33.601 33.629 -0.028 19488 2504 1 11 . 1 1 25 25 ARG H H 25 7.866 7.866 8.288 -0.422 19488 2505 1 11 . 1 1 26 26 ASP N N 26 126.621 126.621 124.239 2.382 19488 2506 1 11 . 1 1 26 26 ASP HA H 26 4.849 4.849 5.045 -0.196 19488 2507 1 11 . 1 1 26 26 ASP CA C 26 52.625 52.625 52.865 -0.241 19488 2508 1 11 . 1 1 26 26 ASP CB C 26 40.594 40.594 41.434 -0.840 19488 2509 1 11 . 1 1 26 26 ASP H H 26 9.377 9.377 9.051 0.326 19488 2510 1 11 . 1 1 27 27 PRO HA H 27 4.305 4.305 4.297 0.008 19488 2511 1 11 . 1 1 27 27 PRO C C 27 176.323 176.323 176.747 -0.424 19488 2512 1 11 . 1 1 27 27 PRO CA C 27 65.656 65.656 64.630 1.026 19488 2513 1 11 . 1 1 27 27 PRO CB C 27 31.959 31.959 31.835 0.124 19488 2514 1 11 . 1 1 28 28 GLU N N 28 115.086 115.086 118.401 -3.315 19488 2515 1 11 . 1 1 28 28 GLU HA H 28 4.344 4.344 4.341 0.003 19488 2516 1 11 . 1 1 28 28 GLU CA C 28 55.671 55.671 55.301 0.370 19488 2517 1 11 . 1 1 28 28 GLU CB C 28 30.313 30.313 28.508 1.805 19488 2518 1 11 . 1 1 28 28 GLU H H 28 7.933 7.933 7.789 0.144 19488 2519 1 11 . 1 1 29 29 GLY N N 29 108.180 108.180 108.019 0.161 19488 2520 1 11 . 1 1 29 29 GLY C C 29 174.929 174.929 173.825 1.104 19488 2521 1 11 . 1 1 29 29 GLY CA C 29 45.348 45.348 45.912 -0.564 19488 2522 1 11 . 1 1 29 29 GLY H H 29 8.429 8.429 7.780 0.649 19488 2523 1 11 . 1 1 30 30 LYS N N 30 124.331 124.331 119.887 4.444 19488 2524 1 11 . 1 1 30 30 LYS C C 30 176.537 176.537 174.985 1.552 19488 2525 1 11 . 1 1 30 30 LYS CA C 30 57.723 57.723 55.505 2.218 19488 2526 1 11 . 1 1 30 30 LYS CB C 30 32.465 32.465 33.690 -1.225 19488 2527 1 11 . 1 1 30 30 LYS H H 30 8.895 8.895 7.327 1.568 19488 2528 1 11 . 1 1 31 31 ILE N N 31 125.574 125.574 124.792 0.782 19488 2529 1 11 . 1 1 31 31 ILE HA H 31 4.201 4.201 4.075 0.126 19488 2530 1 11 . 1 1 31 31 ILE C C 31 174.866 174.866 175.246 -0.380 19488 2531 1 11 . 1 1 31 31 ILE CA C 31 61.221 61.221 59.635 1.586 19488 2532 1 11 . 1 1 31 31 ILE CB C 31 39.168 39.168 38.567 0.601 19488 2533 1 11 . 1 1 31 31 ILE H H 31 8.398 8.398 8.402 -0.004 19488 2534 1 11 . 1 1 32 32 TYR N N 32 120.913 120.913 123.785 -2.872 19488 2535 1 11 . 1 1 32 32 TYR HA H 32 4.944 4.944 4.558 0.386 19488 2536 1 11 . 1 1 32 32 TYR C C 32 171.083 171.083 172.790 -1.707 19488 2537 1 11 . 1 1 32 32 TYR CA C 32 55.654 55.654 54.886 0.768 19488 2538 1 11 . 1 1 32 32 TYR CB C 32 39.566 39.566 40.561 -0.995 19488 2539 1 11 . 1 1 32 32 TYR H H 32 8.613 8.613 8.772 -0.159 19488 2540 1 11 . 1 1 33 33 TYR N N 33 116.422 116.422 115.964 0.458 19488 2541 1 11 . 1 1 33 33 TYR HA H 33 5.290 5.290 5.064 0.226 19488 2542 1 11 . 1 1 33 33 TYR C C 33 175.406 175.406 174.295 1.111 19488 2543 1 11 . 1 1 33 33 TYR CA C 33 56.476 56.476 56.267 0.208 19488 2544 1 11 . 1 1 33 33 TYR CB C 33 41.891 41.891 41.176 0.715 19488 2545 1 11 . 1 1 33 33 TYR H H 33 8.644 8.644 8.542 0.102 19488 2546 1 11 . 1 1 34 34 TYR N N 34 117.976 117.976 117.670 0.306 19488 2547 1 11 . 1 1 34 34 TYR HA H 34 5.954 5.954 5.292 0.662 19488 2548 1 11 . 1 1 34 34 TYR C C 34 170.962 170.962 174.234 -3.272 19488 2549 1 11 . 1 1 34 34 TYR CA C 34 55.440 55.440 55.277 0.163 19488 2550 1 11 . 1 1 34 34 TYR CB C 34 43.569 43.569 40.719 2.850 19488 2551 1 11 . 1 1 34 34 TYR H H 34 9.266 9.266 9.249 0.017 19488 2552 1 11 . 1 1 35 35 HIS N N 35 124.263 124.263 122.056 2.207 19488 2553 1 11 . 1 1 35 35 HIS HA H 35 3.885 3.885 5.094 -1.209 19488 2554 1 11 . 1 1 35 35 HIS C C 35 178.636 178.636 176.100 2.536 19488 2555 1 11 . 1 1 35 35 HIS CA C 35 54.788 54.788 55.431 -0.643 19488 2556 1 11 . 1 1 35 35 HIS CB C 35 32.272 32.272 31.094 1.178 19488 2557 1 11 . 1 1 35 35 HIS H H 35 7.644 7.644 8.913 -1.269 19488 2558 1 11 . 1 1 36 36 VAL N N 36 123.179 123.179 120.908 2.271 19488 2559 1 11 . 1 1 36 36 VAL HA H 36 3.669 3.669 4.065 -0.396 19488 2560 1 11 . 1 1 36 36 VAL C C 36 176.537 176.537 176.423 0.114 19488 2561 1 11 . 1 1 36 36 VAL CA C 36 64.572 64.572 64.310 0.262 19488 2562 1 11 . 1 1 36 36 VAL CB C 36 31.914 31.914 32.089 -0.175 19488 2563 1 11 . 1 1 36 36 VAL H H 36 8.503 8.503 8.564 -0.061 19488 2564 1 11 . 1 1 37 37 ILE N N 37 120.710 120.710 118.267 2.443 19488 2565 1 11 . 1 1 37 37 ILE HA H 37 4.113 4.113 3.971 0.142 19488 2566 1 11 . 1 1 37 37 ILE C C 37 178.177 178.177 178.131 0.046 19488 2567 1 11 . 1 1 37 37 ILE CA C 37 62.557 62.557 63.899 -1.342 19488 2568 1 11 . 1 1 37 37 ILE CB C 37 38.116 38.116 38.175 -0.059 19488 2569 1 11 . 1 1 37 37 ILE H H 37 8.845 8.845 8.305 0.540 19488 2570 1 11 . 1 1 38 38 THR N N 38 112.090 112.090 110.499 1.591 19488 2571 1 11 . 1 1 38 38 THR HA H 38 3.939 3.939 4.178 -0.239 19488 2572 1 11 . 1 1 38 38 THR C C 38 176.610 176.610 175.036 1.574 19488 2573 1 11 . 1 1 38 38 THR CA C 38 63.049 63.049 63.309 -0.260 19488 2574 1 11 . 1 1 38 38 THR CB C 38 69.301 69.301 68.882 0.419 19488 2575 1 11 . 1 1 38 38 THR H H 38 8.889 8.889 8.354 0.535 19488 2576 1 11 . 1 1 39 39 ARG N N 39 113.685 113.685 117.873 -4.188 19488 2577 1 11 . 1 1 39 39 ARG HA H 39 3.932 3.932 4.249 -0.317 19488 2578 1 11 . 1 1 39 39 ARG C C 39 174.683 174.683 174.506 0.177 19488 2579 1 11 . 1 1 39 39 ARG CA C 39 56.784 56.784 57.394 -0.610 19488 2580 1 11 . 1 1 39 39 ARG CB C 39 25.977 25.977 27.158 -1.181 19488 2581 1 11 . 1 1 39 39 ARG H H 39 8.059 8.059 7.966 0.093 19488 2582 1 11 . 1 1 40 40 GLN N N 40 118.874 118.874 115.963 2.911 19488 2583 1 11 . 1 1 40 40 GLN HA H 40 4.235 4.235 5.790 -1.555 19488 2584 1 11 . 1 1 40 40 GLN C C 40 174.846 174.846 175.220 -0.374 19488 2585 1 11 . 1 1 40 40 GLN CA C 40 56.092 56.092 53.373 2.719 19488 2586 1 11 . 1 1 40 40 GLN CB C 40 29.485 29.485 34.097 -4.612 19488 2587 1 11 . 1 1 40 40 GLN H H 40 7.689 7.689 7.718 -0.029 19488 2588 1 11 . 1 1 41 41 THR N N 41 110.442 110.442 112.930 -2.488 19488 2589 1 11 . 1 1 41 41 THR HA H 41 5.789 5.789 5.063 0.726 19488 2590 1 11 . 1 1 41 41 THR C C 41 174.892 174.892 174.090 0.802 19488 2591 1 11 . 1 1 41 41 THR CA C 41 59.109 59.109 59.489 -0.380 19488 2592 1 11 . 1 1 41 41 THR CB C 41 73.064 73.064 70.638 2.426 19488 2593 1 11 . 1 1 41 41 THR H H 41 8.149 8.149 8.217 -0.068 19488 2594 1 11 . 1 1 42 42 GLN N N 42 113.851 113.851 122.732 -8.881 19488 2595 1 11 . 1 1 42 42 GLN HA H 42 4.309 4.309 4.560 -0.251 19488 2596 1 11 . 1 1 42 42 GLN C C 42 174.849 174.849 175.986 -1.137 19488 2597 1 11 . 1 1 42 42 GLN CA C 42 55.340 55.340 54.466 0.874 19488 2598 1 11 . 1 1 42 42 GLN CB C 42 32.221 32.221 30.637 1.584 19488 2599 1 11 . 1 1 42 42 GLN H H 42 9.092 9.092 8.962 0.130 19488 2600 1 11 . 1 1 43 43 TRP N N 43 120.309 120.309 124.063 -3.754 19488 2601 1 11 . 1 1 43 43 TRP C C 43 176.109 176.109 175.942 0.167 19488 2602 1 11 . 1 1 43 43 TRP CA C 43 59.210 59.210 58.602 0.608 19488 2603 1 11 . 1 1 43 43 TRP CB C 43 31.257 31.257 29.543 1.714 19488 2604 1 11 . 1 1 43 43 TRP H H 43 8.988 8.988 8.279 0.709 19488 2605 1 11 . 1 1 44 44 ASP N N 44 116.214 116.214 119.270 -3.056 19488 2606 1 11 . 1 1 44 44 ASP HA H 44 5.048 5.048 4.787 0.261 19488 2607 1 11 . 1 1 44 44 ASP CA C 44 51.638 51.638 53.561 -1.923 19488 2608 1 11 . 1 1 44 44 ASP CB C 44 40.185 40.185 39.739 0.446 19488 2609 1 11 . 1 1 44 44 ASP H H 44 7.806 7.806 7.206 0.600 19488 2610 1 11 . 1 1 46 46 PRO HA H 46 3.744 3.744 4.549 -0.805 19488 2611 1 11 . 1 1 46 46 PRO C C 46 175.368 175.368 176.643 -1.275 19488 2612 1 11 . 1 1 46 46 PRO CA C 46 61.186 61.186 62.698 -1.512 19488 2613 1 11 . 1 1 46 46 PRO CB C 46 30.471 30.471 32.192 -1.721 19488 2614 1 11 . 1 1 47 47 THR N N 47 112.549 112.549 114.524 -1.975 19488 2615 1 11 . 1 1 47 47 THR HA H 47 4.140 4.140 4.435 -0.295 19488 2616 1 11 . 1 1 47 47 THR C C 47 174.132 174.132 174.494 -0.362 19488 2617 1 11 . 1 1 47 47 THR CA C 47 60.809 60.809 62.185 -1.376 19488 2618 1 11 . 1 1 47 47 THR CB C 47 70.206 70.206 68.345 1.861 19488 2619 1 11 . 1 1 47 47 THR H H 47 7.706 7.706 8.290 -0.584 19488 2620 1 11 . 1 1 48 48 TRP N N 48 123.411 123.411 127.889 -4.478 19488 2621 1 11 . 1 1 48 48 TRP HA H 48 4.340 4.340 4.693 -0.353 19488 2622 1 11 . 1 1 48 48 TRP C C 48 175.852 175.852 175.693 0.159 19488 2623 1 11 . 1 1 48 48 TRP CA C 48 57.750 57.750 58.757 -1.006 19488 2624 1 11 . 1 1 48 48 TRP CB C 48 29.261 29.261 30.588 -1.327 19488 2625 1 11 . 1 1 48 48 TRP H H 48 8.432 8.432 8.862 -0.430 19488 2626 1 11 . 1 1 49 49 GLU N N 49 123.053 123.053 117.535 5.518 19488 2627 1 11 . 1 1 49 49 GLU HA H 49 4.157 4.157 4.547 -0.390 19488 2628 1 11 . 1 1 49 49 GLU C C 49 175.724 175.724 174.517 1.207 19488 2629 1 11 . 1 1 49 49 GLU CA C 49 56.016 56.016 55.804 0.212 19488 2630 1 11 . 1 1 49 49 GLU CB C 49 30.509 30.509 33.055 -2.546 19488 2631 1 11 . 1 1 49 49 GLU H H 49 8.246 8.246 7.937 0.309 19488 2632 1 11 . 1 1 50 50 SER N N 50 118.135 118.135 116.033 2.102 19488 2633 1 11 . 1 1 50 50 SER HA H 50 4.436 4.436 4.607 -0.171 19488 2634 1 11 . 1 1 50 50 SER CA C 50 56.119 56.119 56.169 -0.050 19488 2635 1 11 . 1 1 50 50 SER CB C 50 63.309 63.309 64.304 -0.995 19488 2636 1 11 . 1 1 50 50 SER H H 50 8.228 8.228 8.322 -0.094 19488 2637 1 11 . 1 1 51 51 PRO HA H 51 4.299 4.299 4.375 -0.076 19488 2638 1 11 . 1 1 51 51 PRO C C 51 177.365 177.365 178.624 -1.259 19488 2639 1 11 . 1 1 51 51 PRO CA C 51 63.458 63.458 62.776 0.682 19488 2640 1 11 . 1 1 51 51 PRO CB C 51 32.004 32.004 31.981 0.023 19488 2641 1 11 . 1 1 52 52 GLY N N 52 109.163 109.163 106.230 2.933 19488 2642 1 11 . 1 1 52 52 GLY C C 52 173.865 173.865 175.816 -1.951 19488 2643 1 11 . 1 1 52 52 GLY CA C 52 45.040 45.040 46.580 -1.540 19488 2644 1 11 . 1 1 52 52 GLY H H 52 8.309 8.309 8.353 -0.044 19488 2645 1 11 . 1 1 53 53 ASP N N 53 120.553 120.553 119.852 0.701 19488 2646 1 11 . 1 1 53 53 ASP HA H 53 4.507 4.507 4.402 0.105 19488 2647 1 11 . 1 1 53 53 ASP C C 53 176.049 176.049 177.246 -1.197 19488 2648 1 11 . 1 1 53 53 ASP CA C 53 54.385 54.385 56.088 -1.703 19488 2649 1 11 . 1 1 53 53 ASP CB C 53 41.202 41.202 40.824 0.378 19488 2650 1 11 . 1 1 53 53 ASP H H 53 8.175 8.175 8.232 -0.057 19488 2651 1 11 . 1 1 54 54 ASP N N 54 119.209 119.209 118.519 0.690 19488 2652 1 11 . 1 1 54 54 ASP HA H 54 4.483 4.483 4.505 -0.022 19488 2653 1 11 . 1 1 54 54 ASP C C 54 175.804 175.804 176.014 -0.210 19488 2654 1 11 . 1 1 54 54 ASP CA C 54 54.197 54.197 54.193 0.004 19488 2655 1 11 . 1 1 54 54 ASP CB C 54 40.934 40.934 41.312 -0.378 19488 2656 1 11 . 1 1 54 54 ASP H H 54 8.287 8.287 7.661 0.626 19488 2657 1 11 . 1 1 55 55 ALA N N 55 124.837 124.837 117.849 6.988 19488 2658 1 11 . 1 1 55 55 ALA HA H 55 4.186 4.186 3.969 0.217 19488 2659 1 11 . 1 1 55 55 ALA C C 55 176.839 176.839 176.945 -0.106 19488 2660 1 11 . 1 1 55 55 ALA CA C 55 52.271 52.271 53.017 -0.746 19488 2661 1 11 . 1 1 55 55 ALA CB C 55 19.294 19.294 17.154 2.140 19488 2662 1 11 . 1 1 55 55 ALA H H 55 8.119 8.119 7.600 0.519 19488 2663 1 12 . 1 1 2 2 SER N N 2 117.587 117.587 116.820 0.767 19488 2664 1 12 . 1 1 2 2 SER HA H 2 4.412 4.412 4.247 0.165 19488 2665 1 12 . 1 1 2 2 SER C C 2 173.921 173.921 175.085 -1.164 19488 2666 1 12 . 1 1 2 2 SER CA C 2 58.253 58.253 60.567 -2.314 19488 2667 1 12 . 1 1 2 2 SER CB C 2 63.958 63.958 63.450 0.508 19488 2668 1 12 . 1 1 2 2 SER H H 2 8.036 8.036 8.515 -0.479 19488 2669 1 12 . 1 1 3 3 ASP N N 3 122.646 122.646 118.574 4.072 19488 2670 1 12 . 1 1 3 3 ASP HA H 3 4.531 4.531 4.620 -0.089 19488 2671 1 12 . 1 1 3 3 ASP C C 3 175.710 175.710 175.104 0.606 19488 2672 1 12 . 1 1 3 3 ASP CA C 3 54.099 54.099 55.980 -1.881 19488 2673 1 12 . 1 1 3 3 ASP CB C 3 41.079 41.079 41.367 -0.288 19488 2674 1 12 . 1 1 3 3 ASP H H 3 8.453 8.453 8.433 0.020 19488 2675 1 12 . 1 1 4 4 LEU N N 4 123.784 123.784 119.190 4.594 19488 2676 1 12 . 1 1 4 4 LEU HA H 4 4.473 4.473 4.781 -0.308 19488 2677 1 12 . 1 1 4 4 LEU CA C 4 52.953 52.953 51.806 1.147 19488 2678 1 12 . 1 1 4 4 LEU CB C 4 41.653 41.653 44.823 -3.170 19488 2679 1 12 . 1 1 4 4 LEU H H 4 8.178 8.178 7.588 0.590 19488 2680 1 12 . 1 1 7 7 PRO HA H 7 4.448 4.448 4.478 -0.030 19488 2681 1 12 . 1 1 7 7 PRO C C 7 174.930 174.930 176.098 -1.168 19488 2682 1 12 . 1 1 7 7 PRO CA C 7 61.363 61.363 62.698 -1.335 19488 2683 1 12 . 1 1 7 7 PRO CB C 7 32.014 32.014 32.578 -0.564 19488 2684 1 12 . 1 1 8 8 SER N N 8 116.891 116.891 116.936 -0.045 19488 2685 1 12 . 1 1 8 8 SER HA H 8 3.980 3.980 4.818 -0.838 19488 2686 1 12 . 1 1 8 8 SER CA C 8 57.703 57.703 56.822 0.881 19488 2687 1 12 . 1 1 8 8 SER CB C 8 62.241 62.241 62.738 -0.497 19488 2688 1 12 . 1 1 8 8 SER H H 8 8.281 8.281 8.567 -0.286 19488 2689 1 12 . 1 1 14 14 THR C C 14 175.383 175.383 175.216 0.167 19488 2690 1 12 . 1 1 15 15 ILE N N 15 126.726 126.726 122.122 4.604 19488 2691 1 12 . 1 1 15 15 ILE HA H 15 4.075 4.075 3.871 0.204 19488 2692 1 12 . 1 1 15 15 ILE C C 15 175.223 175.223 176.812 -1.589 19488 2693 1 12 . 1 1 15 15 ILE CA C 15 60.716 60.716 61.653 -0.937 19488 2694 1 12 . 1 1 15 15 ILE CB C 15 38.878 38.878 38.510 0.368 19488 2695 1 12 . 1 1 15 15 ILE H H 15 8.344 8.344 7.424 0.920 19488 2696 1 12 . 1 1 16 16 VAL N N 16 128.233 128.233 123.242 4.991 19488 2697 1 12 . 1 1 16 16 VAL HA H 16 4.041 4.041 3.855 0.186 19488 2698 1 12 . 1 1 16 16 VAL C C 16 175.413 175.413 174.924 0.489 19488 2699 1 12 . 1 1 16 16 VAL CA C 16 61.884 61.884 62.619 -0.735 19488 2700 1 12 . 1 1 16 16 VAL CB C 16 32.472 32.472 32.304 0.168 19488 2701 1 12 . 1 1 16 16 VAL H H 16 8.374 8.374 8.050 0.324 19488 2702 1 12 . 1 1 17 17 LEU N N 17 128.084 128.084 118.527 9.557 19488 2703 1 12 . 1 1 17 17 LEU HA H 17 4.482 4.482 4.897 -0.415 19488 2704 1 12 . 1 1 17 17 LEU CA C 17 52.176 52.176 51.777 0.399 19488 2705 1 12 . 1 1 17 17 LEU CB C 17 42.034 42.034 41.006 1.028 19488 2706 1 12 . 1 1 17 17 LEU H H 17 8.488 8.488 8.069 0.419 19488 2707 1 12 . 1 1 19 19 PRO HA H 19 4.110 4.110 4.036 0.074 19488 2708 1 12 . 1 1 19 19 PRO C C 19 176.801 176.801 176.336 0.465 19488 2709 1 12 . 1 1 19 19 PRO CA C 19 63.788 63.788 64.006 -0.218 19488 2710 1 12 . 1 1 19 19 PRO CB C 19 31.976 31.976 31.585 0.390 19488 2711 1 12 . 1 1 20 20 ASN N N 20 111.397 111.397 113.578 -2.181 19488 2712 1 12 . 1 1 20 20 ASN HA H 20 3.898 3.898 4.389 -0.491 19488 2713 1 12 . 1 1 20 20 ASN C C 20 172.167 172.167 175.290 -3.123 19488 2714 1 12 . 1 1 20 20 ASN CA C 20 55.054 55.054 54.106 0.948 19488 2715 1 12 . 1 1 20 20 ASN CB C 20 36.712 36.712 37.968 -1.256 19488 2716 1 12 . 1 1 20 20 ASN H H 20 8.516 8.516 8.131 0.385 19488 2717 1 12 . 1 1 21 21 TRP N N 21 117.522 117.522 120.016 -2.494 19488 2718 1 12 . 1 1 21 21 TRP HA H 21 5.006 5.006 4.423 0.583 19488 2719 1 12 . 1 1 21 21 TRP C C 21 175.534 175.534 174.886 0.648 19488 2720 1 12 . 1 1 21 21 TRP CA C 21 57.056 57.056 57.227 -0.171 19488 2721 1 12 . 1 1 21 21 TRP CB C 21 31.558 31.558 29.989 1.569 19488 2722 1 12 . 1 1 21 21 TRP H H 21 7.317 7.317 7.073 0.244 19488 2723 1 12 . 1 1 22 22 LYS N N 22 121.530 121.530 117.823 3.707 19488 2724 1 12 . 1 1 22 22 LYS HA H 22 4.457 4.457 4.867 -0.410 19488 2725 1 12 . 1 1 22 22 LYS C C 22 174.479 174.479 175.261 -0.782 19488 2726 1 12 . 1 1 22 22 LYS CA C 22 54.265 54.265 54.301 -0.036 19488 2727 1 12 . 1 1 22 22 LYS CB C 22 37.342 37.342 36.090 1.252 19488 2728 1 12 . 1 1 22 22 LYS H H 22 8.947 8.947 8.157 0.790 19488 2729 1 12 . 1 1 23 23 THR N N 23 108.162 108.162 114.403 -6.241 19488 2730 1 12 . 1 1 23 23 THR HA H 23 4.961 4.961 5.086 -0.125 19488 2731 1 12 . 1 1 23 23 THR C C 23 175.581 175.581 173.118 2.463 19488 2732 1 12 . 1 1 23 23 THR CA C 23 59.375 59.375 60.151 -0.776 19488 2733 1 12 . 1 1 23 23 THR CB C 23 71.708 71.708 70.662 1.046 19488 2734 1 12 . 1 1 23 23 THR H H 23 7.700 7.700 8.338 -0.638 19488 2735 1 12 . 1 1 24 24 ALA N N 24 124.178 124.178 127.450 -3.272 19488 2736 1 12 . 1 1 24 24 ALA HA H 24 4.243 4.243 4.443 -0.200 19488 2737 1 12 . 1 1 24 24 ALA C C 24 173.562 173.562 174.537 -0.975 19488 2738 1 12 . 1 1 24 24 ALA CA C 24 50.533 50.533 52.068 -1.535 19488 2739 1 12 . 1 1 24 24 ALA CB C 24 21.856 21.856 21.335 0.520 19488 2740 1 12 . 1 1 24 24 ALA H H 24 8.265 8.265 9.071 -0.806 19488 2741 1 12 . 1 1 25 25 ARG N N 25 115.093 115.093 118.594 -3.501 19488 2742 1 12 . 1 1 25 25 ARG HA H 25 5.222 5.222 4.722 0.500 19488 2743 1 12 . 1 1 25 25 ARG C C 25 176.749 176.749 175.990 0.759 19488 2744 1 12 . 1 1 25 25 ARG CA C 25 53.777 53.777 54.678 -0.901 19488 2745 1 12 . 1 1 25 25 ARG CB C 25 33.601 33.601 31.582 2.019 19488 2746 1 12 . 1 1 25 25 ARG H H 25 7.866 7.866 8.374 -0.508 19488 2747 1 12 . 1 1 26 26 ASP N N 26 126.621 126.621 121.099 5.522 19488 2748 1 12 . 1 1 26 26 ASP HA H 26 4.849 4.849 4.997 -0.148 19488 2749 1 12 . 1 1 26 26 ASP CA C 26 52.625 52.625 52.105 0.520 19488 2750 1 12 . 1 1 26 26 ASP CB C 26 40.594 40.594 40.479 0.115 19488 2751 1 12 . 1 1 26 26 ASP H H 26 9.377 9.377 8.718 0.659 19488 2752 1 12 . 1 1 27 27 PRO HA H 27 4.305 4.305 4.265 0.040 19488 2753 1 12 . 1 1 27 27 PRO C C 27 176.323 176.323 177.132 -0.809 19488 2754 1 12 . 1 1 27 27 PRO CA C 27 65.656 65.656 64.753 0.903 19488 2755 1 12 . 1 1 27 27 PRO CB C 27 31.959 31.959 31.968 -0.009 19488 2756 1 12 . 1 1 28 28 GLU N N 28 115.086 115.086 117.572 -2.486 19488 2757 1 12 . 1 1 28 28 GLU HA H 28 4.344 4.344 4.308 0.036 19488 2758 1 12 . 1 1 28 28 GLU CA C 28 55.671 55.671 55.681 -0.010 19488 2759 1 12 . 1 1 28 28 GLU CB C 28 30.313 30.313 28.029 2.284 19488 2760 1 12 . 1 1 28 28 GLU H H 28 7.933 7.933 8.131 -0.198 19488 2761 1 12 . 1 1 29 29 GLY N N 29 108.180 108.180 108.702 -0.522 19488 2762 1 12 . 1 1 29 29 GLY C C 29 174.929 174.929 174.617 0.312 19488 2763 1 12 . 1 1 29 29 GLY CA C 29 45.348 45.348 46.005 -0.657 19488 2764 1 12 . 1 1 29 29 GLY H H 29 8.429 8.429 7.823 0.606 19488 2765 1 12 . 1 1 30 30 LYS N N 30 124.331 124.331 120.779 3.552 19488 2766 1 12 . 1 1 30 30 LYS C C 30 176.537 176.537 175.147 1.390 19488 2767 1 12 . 1 1 30 30 LYS CA C 30 57.723 57.723 55.621 2.102 19488 2768 1 12 . 1 1 30 30 LYS CB C 30 32.465 32.465 32.773 -0.308 19488 2769 1 12 . 1 1 30 30 LYS H H 30 8.895 8.895 7.601 1.294 19488 2770 1 12 . 1 1 31 31 ILE N N 31 125.574 125.574 124.742 0.832 19488 2771 1 12 . 1 1 31 31 ILE HA H 31 4.201 4.201 4.258 -0.057 19488 2772 1 12 . 1 1 31 31 ILE C C 31 174.866 174.866 174.004 0.862 19488 2773 1 12 . 1 1 31 31 ILE CA C 31 61.221 61.221 59.003 2.218 19488 2774 1 12 . 1 1 31 31 ILE CB C 31 39.168 39.168 38.950 0.218 19488 2775 1 12 . 1 1 31 31 ILE H H 31 8.398 8.398 8.238 0.160 19488 2776 1 12 . 1 1 32 32 TYR N N 32 120.913 120.913 125.303 -4.390 19488 2777 1 12 . 1 1 32 32 TYR HA H 32 4.944 4.944 4.668 0.276 19488 2778 1 12 . 1 1 32 32 TYR C C 32 171.083 171.083 172.749 -1.666 19488 2779 1 12 . 1 1 32 32 TYR CA C 32 55.654 55.654 54.606 1.048 19488 2780 1 12 . 1 1 32 32 TYR CB C 32 39.566 39.566 39.819 -0.253 19488 2781 1 12 . 1 1 32 32 TYR H H 32 8.613 8.613 8.106 0.507 19488 2782 1 12 . 1 1 33 33 TYR N N 33 116.422 116.422 117.383 -0.961 19488 2783 1 12 . 1 1 33 33 TYR HA H 33 5.290 5.290 4.892 0.398 19488 2784 1 12 . 1 1 33 33 TYR C C 33 175.406 175.406 174.661 0.745 19488 2785 1 12 . 1 1 33 33 TYR CA C 33 56.476 56.476 56.469 0.007 19488 2786 1 12 . 1 1 33 33 TYR CB C 33 41.891 41.891 39.772 2.119 19488 2787 1 12 . 1 1 33 33 TYR H H 33 8.644 8.644 8.601 0.043 19488 2788 1 12 . 1 1 34 34 TYR N N 34 117.976 117.976 118.772 -0.796 19488 2789 1 12 . 1 1 34 34 TYR HA H 34 5.954 5.954 5.113 0.841 19488 2790 1 12 . 1 1 34 34 TYR C C 34 170.962 170.962 174.319 -3.357 19488 2791 1 12 . 1 1 34 34 TYR CA C 34 55.440 55.440 54.983 0.457 19488 2792 1 12 . 1 1 34 34 TYR CB C 34 43.569 43.569 40.022 3.547 19488 2793 1 12 . 1 1 34 34 TYR H H 34 9.266 9.266 9.218 0.048 19488 2794 1 12 . 1 1 35 35 HIS N N 35 124.263 124.263 122.931 1.332 19488 2795 1 12 . 1 1 35 35 HIS HA H 35 3.885 3.885 5.044 -1.159 19488 2796 1 12 . 1 1 35 35 HIS C C 35 178.636 178.636 176.205 2.431 19488 2797 1 12 . 1 1 35 35 HIS CA C 35 54.788 54.788 55.163 -0.375 19488 2798 1 12 . 1 1 35 35 HIS CB C 35 32.272 32.272 31.117 1.155 19488 2799 1 12 . 1 1 35 35 HIS H H 35 7.644 7.644 8.527 -0.883 19488 2800 1 12 . 1 1 36 36 VAL N N 36 123.179 123.179 121.616 1.563 19488 2801 1 12 . 1 1 36 36 VAL HA H 36 3.669 3.669 4.013 -0.344 19488 2802 1 12 . 1 1 36 36 VAL C C 36 176.537 176.537 176.650 -0.113 19488 2803 1 12 . 1 1 36 36 VAL CA C 36 64.572 64.572 64.343 0.229 19488 2804 1 12 . 1 1 36 36 VAL CB C 36 31.914 31.914 32.113 -0.199 19488 2805 1 12 . 1 1 36 36 VAL H H 36 8.503 8.503 8.575 -0.072 19488 2806 1 12 . 1 1 37 37 ILE N N 37 120.710 120.710 119.046 1.664 19488 2807 1 12 . 1 1 37 37 ILE HA H 37 4.113 4.113 3.949 0.164 19488 2808 1 12 . 1 1 37 37 ILE C C 37 178.177 178.177 177.535 0.642 19488 2809 1 12 . 1 1 37 37 ILE CA C 37 62.557 62.557 63.650 -1.093 19488 2810 1 12 . 1 1 37 37 ILE CB C 37 38.116 38.116 37.745 0.371 19488 2811 1 12 . 1 1 37 37 ILE H H 37 8.845 8.845 8.409 0.436 19488 2812 1 12 . 1 1 38 38 THR N N 38 112.090 112.090 107.853 4.237 19488 2813 1 12 . 1 1 38 38 THR HA H 38 3.939 3.939 4.233 -0.294 19488 2814 1 12 . 1 1 38 38 THR C C 38 176.610 176.610 174.643 1.967 19488 2815 1 12 . 1 1 38 38 THR CA C 38 63.049 63.049 63.071 -0.022 19488 2816 1 12 . 1 1 38 38 THR CB C 38 69.301 69.301 69.046 0.255 19488 2817 1 12 . 1 1 38 38 THR H H 38 8.889 8.889 8.229 0.660 19488 2818 1 12 . 1 1 39 39 ARG N N 39 113.685 113.685 116.622 -2.937 19488 2819 1 12 . 1 1 39 39 ARG HA H 39 3.932 3.932 4.127 -0.195 19488 2820 1 12 . 1 1 39 39 ARG C C 39 174.683 174.683 174.424 0.259 19488 2821 1 12 . 1 1 39 39 ARG CA C 39 56.784 56.784 56.933 -0.149 19488 2822 1 12 . 1 1 39 39 ARG CB C 39 25.977 25.977 26.848 -0.871 19488 2823 1 12 . 1 1 39 39 ARG H H 39 8.059 8.059 7.948 0.111 19488 2824 1 12 . 1 1 40 40 GLN N N 40 118.874 118.874 116.678 2.196 19488 2825 1 12 . 1 1 40 40 GLN HA H 40 4.235 4.235 4.840 -0.605 19488 2826 1 12 . 1 1 40 40 GLN C C 40 174.846 174.846 174.945 -0.099 19488 2827 1 12 . 1 1 40 40 GLN CA C 40 56.092 56.092 54.336 1.756 19488 2828 1 12 . 1 1 40 40 GLN CB C 40 29.485 29.485 33.083 -3.598 19488 2829 1 12 . 1 1 40 40 GLN H H 40 7.689 7.689 7.751 -0.062 19488 2830 1 12 . 1 1 41 41 THR N N 41 110.442 110.442 114.636 -4.194 19488 2831 1 12 . 1 1 41 41 THR HA H 41 5.789 5.789 4.907 0.882 19488 2832 1 12 . 1 1 41 41 THR C C 41 174.892 174.892 173.022 1.870 19488 2833 1 12 . 1 1 41 41 THR CA C 41 59.109 59.109 59.976 -0.867 19488 2834 1 12 . 1 1 41 41 THR CB C 41 73.064 73.064 69.643 3.421 19488 2835 1 12 . 1 1 41 41 THR H H 41 8.149 8.149 8.272 -0.123 19488 2836 1 12 . 1 1 42 42 GLN N N 42 113.851 113.851 125.788 -11.937 19488 2837 1 12 . 1 1 42 42 GLN HA H 42 4.309 4.309 4.644 -0.335 19488 2838 1 12 . 1 1 42 42 GLN C C 42 174.849 174.849 175.849 -1.000 19488 2839 1 12 . 1 1 42 42 GLN CA C 42 55.340 55.340 54.556 0.784 19488 2840 1 12 . 1 1 42 42 GLN CB C 42 32.221 32.221 30.642 1.579 19488 2841 1 12 . 1 1 42 42 GLN H H 42 9.092 9.092 9.010 0.082 19488 2842 1 12 . 1 1 43 43 TRP N N 43 120.309 120.309 123.430 -3.121 19488 2843 1 12 . 1 1 43 43 TRP C C 43 176.109 176.109 175.563 0.546 19488 2844 1 12 . 1 1 43 43 TRP CA C 43 59.210 59.210 58.320 0.890 19488 2845 1 12 . 1 1 43 43 TRP CB C 43 31.257 31.257 29.255 2.002 19488 2846 1 12 . 1 1 43 43 TRP H H 43 8.988 8.988 8.513 0.475 19488 2847 1 12 . 1 1 44 44 ASP N N 44 116.214 116.214 120.551 -4.337 19488 2848 1 12 . 1 1 44 44 ASP HA H 44 5.048 5.048 4.779 0.269 19488 2849 1 12 . 1 1 44 44 ASP CA C 44 51.638 51.638 53.748 -2.110 19488 2850 1 12 . 1 1 44 44 ASP CB C 44 40.185 40.185 39.311 0.874 19488 2851 1 12 . 1 1 44 44 ASP H H 44 7.806 7.806 7.259 0.547 19488 2852 1 12 . 1 1 46 46 PRO HA H 46 3.744 3.744 4.415 -0.671 19488 2853 1 12 . 1 1 46 46 PRO C C 46 175.368 175.368 176.775 -1.407 19488 2854 1 12 . 1 1 46 46 PRO CA C 46 61.186 61.186 62.319 -1.133 19488 2855 1 12 . 1 1 46 46 PRO CB C 46 30.471 30.471 32.844 -2.373 19488 2856 1 12 . 1 1 47 47 THR N N 47 112.549 112.549 113.537 -0.988 19488 2857 1 12 . 1 1 47 47 THR HA H 47 4.140 4.140 4.496 -0.356 19488 2858 1 12 . 1 1 47 47 THR C C 47 174.132 174.132 175.119 -0.987 19488 2859 1 12 . 1 1 47 47 THR CA C 47 60.809 60.809 61.684 -0.875 19488 2860 1 12 . 1 1 47 47 THR CB C 47 70.206 70.206 69.627 0.579 19488 2861 1 12 . 1 1 47 47 THR H H 47 7.706 7.706 8.240 -0.534 19488 2862 1 12 . 1 1 48 48 TRP N N 48 123.411 123.411 127.863 -4.452 19488 2863 1 12 . 1 1 48 48 TRP HA H 48 4.340 4.340 4.740 -0.400 19488 2864 1 12 . 1 1 48 48 TRP C C 48 175.852 175.852 175.624 0.228 19488 2865 1 12 . 1 1 48 48 TRP CA C 48 57.750 57.750 57.917 -0.168 19488 2866 1 12 . 1 1 48 48 TRP CB C 48 29.261 29.261 30.394 -1.133 19488 2867 1 12 . 1 1 48 48 TRP H H 48 8.432 8.432 8.789 -0.357 19488 2868 1 12 . 1 1 49 49 GLU N N 49 123.053 123.053 116.893 6.160 19488 2869 1 12 . 1 1 49 49 GLU HA H 49 4.157 4.157 4.526 -0.369 19488 2870 1 12 . 1 1 49 49 GLU C C 49 175.724 175.724 174.473 1.251 19488 2871 1 12 . 1 1 49 49 GLU CA C 49 56.016 56.016 55.302 0.714 19488 2872 1 12 . 1 1 49 49 GLU CB C 49 30.509 30.509 33.973 -3.464 19488 2873 1 12 . 1 1 49 49 GLU H H 49 8.246 8.246 7.632 0.614 19488 2874 1 12 . 1 1 50 50 SER N N 50 118.135 118.135 118.365 -0.230 19488 2875 1 12 . 1 1 50 50 SER HA H 50 4.436 4.436 4.799 -0.363 19488 2876 1 12 . 1 1 50 50 SER CA C 50 56.119 56.119 56.164 -0.045 19488 2877 1 12 . 1 1 50 50 SER CB C 50 63.309 63.309 63.641 -0.332 19488 2878 1 12 . 1 1 50 50 SER H H 50 8.228 8.228 8.569 -0.341 19488 2879 1 12 . 1 1 51 51 PRO HA H 51 4.299 4.299 4.451 -0.152 19488 2880 1 12 . 1 1 51 51 PRO C C 51 177.365 177.365 177.854 -0.489 19488 2881 1 12 . 1 1 51 51 PRO CA C 51 63.458 63.458 62.557 0.901 19488 2882 1 12 . 1 1 51 51 PRO CB C 51 32.004 32.004 32.247 -0.243 19488 2883 1 12 . 1 1 52 52 GLY N N 52 109.163 109.163 107.036 2.127 19488 2884 1 12 . 1 1 52 52 GLY C C 52 173.865 173.865 174.604 -0.739 19488 2885 1 12 . 1 1 52 52 GLY CA C 52 45.040 45.040 45.752 -0.711 19488 2886 1 12 . 1 1 52 52 GLY H H 52 8.309 8.309 8.720 -0.411 19488 2887 1 12 . 1 1 53 53 ASP N N 53 120.553 120.553 118.940 1.613 19488 2888 1 12 . 1 1 53 53 ASP HA H 53 4.507 4.507 4.342 0.165 19488 2889 1 12 . 1 1 53 53 ASP C C 53 176.049 176.049 176.576 -0.527 19488 2890 1 12 . 1 1 53 53 ASP CA C 53 54.385 54.385 55.877 -1.492 19488 2891 1 12 . 1 1 53 53 ASP CB C 53 41.202 41.202 40.101 1.101 19488 2892 1 12 . 1 1 53 53 ASP H H 53 8.175 8.175 8.119 0.056 19488 2893 1 12 . 1 1 54 54 ASP N N 54 119.209 119.209 120.294 -1.085 19488 2894 1 12 . 1 1 54 54 ASP HA H 54 4.483 4.483 4.507 -0.024 19488 2895 1 12 . 1 1 54 54 ASP C C 54 175.804 175.804 176.597 -0.793 19488 2896 1 12 . 1 1 54 54 ASP CA C 54 54.197 54.197 55.147 -0.950 19488 2897 1 12 . 1 1 54 54 ASP CB C 54 40.934 40.934 42.002 -1.068 19488 2898 1 12 . 1 1 54 54 ASP H H 54 8.287 8.287 7.828 0.459 19488 2899 1 12 . 1 1 55 55 ALA N N 55 124.837 124.837 121.881 2.956 19488 2900 1 12 . 1 1 55 55 ALA HA H 55 4.186 4.186 3.814 0.372 19488 2901 1 12 . 1 1 55 55 ALA C C 55 176.839 176.839 176.637 0.202 19488 2902 1 12 . 1 1 55 55 ALA CA C 55 52.271 52.271 54.020 -1.749 19488 2903 1 12 . 1 1 55 55 ALA CB C 55 19.294 19.294 17.655 1.639 19488 2904 1 12 . 1 1 55 55 ALA H H 55 8.119 8.119 7.911 0.208 19488 2905 1 13 . 1 1 2 2 SER N N 2 117.587 117.587 118.112 -0.525 19488 2906 1 13 . 1 1 2 2 SER HA H 2 4.412 4.412 4.116 0.296 19488 2907 1 13 . 1 1 2 2 SER C C 2 173.921 173.921 174.544 -0.623 19488 2908 1 13 . 1 1 2 2 SER CA C 2 58.253 58.253 60.510 -2.257 19488 2909 1 13 . 1 1 2 2 SER CB C 2 63.958 63.958 63.450 0.507 19488 2910 1 13 . 1 1 2 2 SER H H 2 8.036 8.036 7.340 0.696 19488 2911 1 13 . 1 1 3 3 ASP N N 3 122.646 122.646 118.525 4.121 19488 2912 1 13 . 1 1 3 3 ASP HA H 3 4.531 4.531 4.544 -0.013 19488 2913 1 13 . 1 1 3 3 ASP C C 3 175.710 175.710 175.652 0.058 19488 2914 1 13 . 1 1 3 3 ASP CA C 3 54.099 54.099 54.762 -0.663 19488 2915 1 13 . 1 1 3 3 ASP CB C 3 41.079 41.079 41.356 -0.277 19488 2916 1 13 . 1 1 3 3 ASP H H 3 8.453 8.453 7.748 0.705 19488 2917 1 13 . 1 1 4 4 LEU N N 4 123.784 123.784 119.120 4.664 19488 2918 1 13 . 1 1 4 4 LEU HA H 4 4.473 4.473 4.716 -0.243 19488 2919 1 13 . 1 1 4 4 LEU CA C 4 52.953 52.953 51.550 1.403 19488 2920 1 13 . 1 1 4 4 LEU CB C 4 41.653 41.653 45.221 -3.568 19488 2921 1 13 . 1 1 4 4 LEU H H 4 8.178 8.178 7.219 0.959 19488 2922 1 13 . 1 1 7 7 PRO HA H 7 4.448 4.448 4.543 -0.095 19488 2923 1 13 . 1 1 7 7 PRO C C 7 174.930 174.930 176.303 -1.373 19488 2924 1 13 . 1 1 7 7 PRO CA C 7 61.363 61.363 62.872 -1.509 19488 2925 1 13 . 1 1 7 7 PRO CB C 7 32.014 32.014 32.831 -0.817 19488 2926 1 13 . 1 1 8 8 SER N N 8 116.891 116.891 117.479 -0.588 19488 2927 1 13 . 1 1 8 8 SER HA H 8 3.980 3.980 4.706 -0.726 19488 2928 1 13 . 1 1 8 8 SER CA C 8 57.703 57.703 56.029 1.674 19488 2929 1 13 . 1 1 8 8 SER CB C 8 62.241 62.241 64.023 -1.782 19488 2930 1 13 . 1 1 8 8 SER H H 8 8.281 8.281 8.759 -0.478 19488 2931 1 13 . 1 1 14 14 THR C C 14 175.383 175.383 175.430 -0.047 19488 2932 1 13 . 1 1 15 15 ILE N N 15 126.726 126.726 121.521 5.205 19488 2933 1 13 . 1 1 15 15 ILE HA H 15 4.075 4.075 3.888 0.187 19488 2934 1 13 . 1 1 15 15 ILE C C 15 175.223 175.223 176.406 -1.183 19488 2935 1 13 . 1 1 15 15 ILE CA C 15 60.716 60.716 60.959 -0.242 19488 2936 1 13 . 1 1 15 15 ILE CB C 15 38.878 38.878 38.653 0.225 19488 2937 1 13 . 1 1 15 15 ILE H H 15 8.344 8.344 7.586 0.758 19488 2938 1 13 . 1 1 16 16 VAL N N 16 128.233 128.233 124.595 3.638 19488 2939 1 13 . 1 1 16 16 VAL HA H 16 4.041 4.041 3.978 0.063 19488 2940 1 13 . 1 1 16 16 VAL C C 16 175.413 175.413 174.874 0.539 19488 2941 1 13 . 1 1 16 16 VAL CA C 16 61.884 61.884 62.619 -0.735 19488 2942 1 13 . 1 1 16 16 VAL CB C 16 32.472 32.472 32.586 -0.113 19488 2943 1 13 . 1 1 16 16 VAL H H 16 8.374 8.374 8.182 0.192 19488 2944 1 13 . 1 1 17 17 LEU N N 17 128.084 128.084 121.847 6.237 19488 2945 1 13 . 1 1 17 17 LEU HA H 17 4.482 4.482 4.693 -0.211 19488 2946 1 13 . 1 1 17 17 LEU CA C 17 52.176 52.176 50.496 1.680 19488 2947 1 13 . 1 1 17 17 LEU CB C 17 42.034 42.034 42.661 -0.627 19488 2948 1 13 . 1 1 17 17 LEU H H 17 8.488 8.488 8.203 0.285 19488 2949 1 13 . 1 1 19 19 PRO HA H 19 4.110 4.110 4.305 -0.195 19488 2950 1 13 . 1 1 19 19 PRO C C 19 176.801 176.801 177.570 -0.769 19488 2951 1 13 . 1 1 19 19 PRO CA C 19 63.788 63.788 64.618 -0.830 19488 2952 1 13 . 1 1 19 19 PRO CB C 19 31.976 31.976 31.824 0.152 19488 2953 1 13 . 1 1 20 20 ASN N N 20 111.397 111.397 114.423 -3.026 19488 2954 1 13 . 1 1 20 20 ASN HA H 20 3.898 3.898 4.497 -0.599 19488 2955 1 13 . 1 1 20 20 ASN C C 20 172.167 172.167 175.339 -3.172 19488 2956 1 13 . 1 1 20 20 ASN CA C 20 55.054 55.054 55.179 -0.126 19488 2957 1 13 . 1 1 20 20 ASN CB C 20 36.712 36.712 38.367 -1.655 19488 2958 1 13 . 1 1 20 20 ASN H H 20 8.516 8.516 8.434 0.082 19488 2959 1 13 . 1 1 21 21 TRP N N 21 117.522 117.522 121.830 -4.308 19488 2960 1 13 . 1 1 21 21 TRP HA H 21 5.006 5.006 4.721 0.285 19488 2961 1 13 . 1 1 21 21 TRP C C 21 175.534 175.534 174.420 1.114 19488 2962 1 13 . 1 1 21 21 TRP CA C 21 57.056 57.056 56.400 0.656 19488 2963 1 13 . 1 1 21 21 TRP CB C 21 31.558 31.558 32.315 -0.757 19488 2964 1 13 . 1 1 21 21 TRP H H 21 7.317 7.317 7.500 -0.183 19488 2965 1 13 . 1 1 22 22 LYS N N 22 121.530 121.530 116.848 4.682 19488 2966 1 13 . 1 1 22 22 LYS HA H 22 4.457 4.457 4.688 -0.231 19488 2967 1 13 . 1 1 22 22 LYS C C 22 174.479 174.479 175.109 -0.630 19488 2968 1 13 . 1 1 22 22 LYS CA C 22 54.265 54.265 53.512 0.753 19488 2969 1 13 . 1 1 22 22 LYS CB C 22 37.342 37.342 35.338 2.004 19488 2970 1 13 . 1 1 22 22 LYS H H 22 8.947 8.947 7.164 1.783 19488 2971 1 13 . 1 1 23 23 THR N N 23 108.162 108.162 113.723 -5.561 19488 2972 1 13 . 1 1 23 23 THR HA H 23 4.961 4.961 4.484 0.477 19488 2973 1 13 . 1 1 23 23 THR C C 23 175.581 175.581 173.651 1.930 19488 2974 1 13 . 1 1 23 23 THR CA C 23 59.375 59.375 60.563 -1.188 19488 2975 1 13 . 1 1 23 23 THR CB C 23 71.708 71.708 69.525 2.183 19488 2976 1 13 . 1 1 23 23 THR H H 23 7.700 7.700 8.186 -0.486 19488 2977 1 13 . 1 1 24 24 ALA N N 24 124.178 124.178 129.273 -5.095 19488 2978 1 13 . 1 1 24 24 ALA HA H 24 4.243 4.243 4.399 -0.156 19488 2979 1 13 . 1 1 24 24 ALA C C 24 173.562 173.562 174.232 -0.670 19488 2980 1 13 . 1 1 24 24 ALA CA C 24 50.533 50.533 51.764 -1.232 19488 2981 1 13 . 1 1 24 24 ALA CB C 24 21.856 21.856 20.569 1.287 19488 2982 1 13 . 1 1 24 24 ALA H H 24 8.265 8.265 8.858 -0.593 19488 2983 1 13 . 1 1 25 25 ARG N N 25 115.093 115.093 119.779 -4.686 19488 2984 1 13 . 1 1 25 25 ARG HA H 25 5.222 5.222 4.447 0.775 19488 2985 1 13 . 1 1 25 25 ARG C C 25 176.749 176.749 174.854 1.895 19488 2986 1 13 . 1 1 25 25 ARG CA C 25 53.777 53.777 54.119 -0.342 19488 2987 1 13 . 1 1 25 25 ARG CB C 25 33.601 33.601 32.369 1.232 19488 2988 1 13 . 1 1 25 25 ARG H H 25 7.866 7.866 8.032 -0.166 19488 2989 1 13 . 1 1 26 26 ASP N N 26 126.621 126.621 120.593 6.028 19488 2990 1 13 . 1 1 26 26 ASP HA H 26 4.849 4.849 4.931 -0.082 19488 2991 1 13 . 1 1 26 26 ASP CA C 26 52.625 52.625 53.248 -0.623 19488 2992 1 13 . 1 1 26 26 ASP CB C 26 40.594 40.594 40.683 -0.089 19488 2993 1 13 . 1 1 26 26 ASP H H 26 9.377 9.377 8.523 0.854 19488 2994 1 13 . 1 1 27 27 PRO HA H 27 4.305 4.305 4.264 0.041 19488 2995 1 13 . 1 1 27 27 PRO C C 27 176.323 176.323 176.582 -0.259 19488 2996 1 13 . 1 1 27 27 PRO CA C 27 65.656 65.656 64.879 0.777 19488 2997 1 13 . 1 1 27 27 PRO CB C 27 31.959 31.959 31.743 0.216 19488 2998 1 13 . 1 1 28 28 GLU N N 28 115.086 115.086 118.467 -3.381 19488 2999 1 13 . 1 1 28 28 GLU HA H 28 4.344 4.344 4.358 -0.014 19488 3000 1 13 . 1 1 28 28 GLU CA C 28 55.671 55.671 55.348 0.323 19488 3001 1 13 . 1 1 28 28 GLU CB C 28 30.313 30.313 27.914 2.399 19488 3002 1 13 . 1 1 28 28 GLU H H 28 7.933 7.933 7.824 0.110 19488 3003 1 13 . 1 1 29 29 GLY N N 29 108.180 108.180 107.085 1.095 19488 3004 1 13 . 1 1 29 29 GLY C C 29 174.929 174.929 173.968 0.961 19488 3005 1 13 . 1 1 29 29 GLY CA C 29 45.348 45.348 45.742 -0.394 19488 3006 1 13 . 1 1 29 29 GLY H H 29 8.429 8.429 7.729 0.700 19488 3007 1 13 . 1 1 30 30 LYS N N 30 124.331 124.331 120.195 4.136 19488 3008 1 13 . 1 1 30 30 LYS C C 30 176.537 176.537 175.097 1.440 19488 3009 1 13 . 1 1 30 30 LYS CA C 30 57.723 57.723 55.055 2.668 19488 3010 1 13 . 1 1 30 30 LYS CB C 30 32.465 32.465 33.383 -0.918 19488 3011 1 13 . 1 1 30 30 LYS H H 30 8.895 8.895 7.631 1.264 19488 3012 1 13 . 1 1 31 31 ILE N N 31 125.574 125.574 126.943 -1.369 19488 3013 1 13 . 1 1 31 31 ILE HA H 31 4.201 4.201 4.323 -0.122 19488 3014 1 13 . 1 1 31 31 ILE C C 31 174.866 174.866 175.069 -0.203 19488 3015 1 13 . 1 1 31 31 ILE CA C 31 61.221 61.221 59.642 1.579 19488 3016 1 13 . 1 1 31 31 ILE CB C 31 39.168 39.168 39.120 0.049 19488 3017 1 13 . 1 1 31 31 ILE H H 31 8.398 8.398 8.328 0.070 19488 3018 1 13 . 1 1 32 32 TYR N N 32 120.913 120.913 121.940 -1.027 19488 3019 1 13 . 1 1 32 32 TYR HA H 32 4.944 4.944 4.897 0.047 19488 3020 1 13 . 1 1 32 32 TYR C C 32 171.083 171.083 172.988 -1.905 19488 3021 1 13 . 1 1 32 32 TYR CA C 32 55.654 55.654 55.366 0.288 19488 3022 1 13 . 1 1 32 32 TYR CB C 32 39.566 39.566 39.794 -0.227 19488 3023 1 13 . 1 1 32 32 TYR H H 32 8.613 8.613 8.206 0.407 19488 3024 1 13 . 1 1 33 33 TYR N N 33 116.422 116.422 117.868 -1.446 19488 3025 1 13 . 1 1 33 33 TYR HA H 33 5.290 5.290 4.801 0.489 19488 3026 1 13 . 1 1 33 33 TYR C C 33 175.406 175.406 174.447 0.959 19488 3027 1 13 . 1 1 33 33 TYR CA C 33 56.476 56.476 56.666 -0.190 19488 3028 1 13 . 1 1 33 33 TYR CB C 33 41.891 41.891 40.388 1.504 19488 3029 1 13 . 1 1 33 33 TYR H H 33 8.644 8.644 9.200 -0.556 19488 3030 1 13 . 1 1 34 34 TYR N N 34 117.976 117.976 119.168 -1.192 19488 3031 1 13 . 1 1 34 34 TYR HA H 34 5.954 5.954 5.205 0.749 19488 3032 1 13 . 1 1 34 34 TYR C C 34 170.962 170.962 173.652 -2.690 19488 3033 1 13 . 1 1 34 34 TYR CA C 34 55.440 55.440 54.612 0.828 19488 3034 1 13 . 1 1 34 34 TYR CB C 34 43.569 43.569 40.162 3.407 19488 3035 1 13 . 1 1 34 34 TYR H H 34 9.266 9.266 8.961 0.305 19488 3036 1 13 . 1 1 35 35 HIS N N 35 124.263 124.263 119.931 4.332 19488 3037 1 13 . 1 1 35 35 HIS HA H 35 3.885 3.885 5.288 -1.403 19488 3038 1 13 . 1 1 35 35 HIS C C 35 178.636 178.636 176.096 2.540 19488 3039 1 13 . 1 1 35 35 HIS CA C 35 54.788 54.788 54.525 0.263 19488 3040 1 13 . 1 1 35 35 HIS CB C 35 32.272 32.272 33.630 -1.358 19488 3041 1 13 . 1 1 35 35 HIS H H 35 7.644 7.644 9.221 -1.577 19488 3042 1 13 . 1 1 36 36 VAL N N 36 123.179 123.179 122.972 0.207 19488 3043 1 13 . 1 1 36 36 VAL HA H 36 3.669 3.669 3.925 -0.256 19488 3044 1 13 . 1 1 36 36 VAL C C 36 176.537 176.537 176.848 -0.311 19488 3045 1 13 . 1 1 36 36 VAL CA C 36 64.572 64.572 65.307 -0.735 19488 3046 1 13 . 1 1 36 36 VAL CB C 36 31.914 31.914 31.944 -0.030 19488 3047 1 13 . 1 1 36 36 VAL H H 36 8.503 8.503 8.901 -0.398 19488 3048 1 13 . 1 1 37 37 ILE N N 37 120.710 120.710 119.440 1.270 19488 3049 1 13 . 1 1 37 37 ILE HA H 37 4.113 4.113 3.768 0.345 19488 3050 1 13 . 1 1 37 37 ILE C C 37 178.177 178.177 177.766 0.411 19488 3051 1 13 . 1 1 37 37 ILE CA C 37 62.557 62.557 64.463 -1.906 19488 3052 1 13 . 1 1 37 37 ILE CB C 37 38.116 38.116 37.480 0.636 19488 3053 1 13 . 1 1 37 37 ILE H H 37 8.845 8.845 8.360 0.485 19488 3054 1 13 . 1 1 38 38 THR N N 38 112.090 112.090 108.089 4.001 19488 3055 1 13 . 1 1 38 38 THR HA H 38 3.939 3.939 4.151 -0.211 19488 3056 1 13 . 1 1 38 38 THR C C 38 176.610 176.610 174.972 1.638 19488 3057 1 13 . 1 1 38 38 THR CA C 38 63.049 63.049 62.646 0.403 19488 3058 1 13 . 1 1 38 38 THR CB C 38 69.301 69.301 69.319 -0.018 19488 3059 1 13 . 1 1 38 38 THR H H 38 8.889 8.889 7.979 0.910 19488 3060 1 13 . 1 1 39 39 ARG N N 39 113.685 113.685 118.449 -4.764 19488 3061 1 13 . 1 1 39 39 ARG HA H 39 3.932 3.932 4.060 -0.128 19488 3062 1 13 . 1 1 39 39 ARG C C 39 174.683 174.683 174.186 0.497 19488 3063 1 13 . 1 1 39 39 ARG CA C 39 56.784 56.784 57.355 -0.571 19488 3064 1 13 . 1 1 39 39 ARG CB C 39 25.977 25.977 27.776 -1.799 19488 3065 1 13 . 1 1 39 39 ARG H H 39 8.059 8.059 7.788 0.271 19488 3066 1 13 . 1 1 40 40 GLN N N 40 118.874 118.874 116.529 2.345 19488 3067 1 13 . 1 1 40 40 GLN HA H 40 4.235 4.235 5.420 -1.185 19488 3068 1 13 . 1 1 40 40 GLN C C 40 174.846 174.846 175.050 -0.204 19488 3069 1 13 . 1 1 40 40 GLN CA C 40 56.092 56.092 54.330 1.762 19488 3070 1 13 . 1 1 40 40 GLN CB C 40 29.485 29.485 33.759 -4.274 19488 3071 1 13 . 1 1 40 40 GLN H H 40 7.689 7.689 8.291 -0.602 19488 3072 1 13 . 1 1 41 41 THR N N 41 110.442 110.442 116.053 -5.611 19488 3073 1 13 . 1 1 41 41 THR HA H 41 5.789 5.789 5.204 0.585 19488 3074 1 13 . 1 1 41 41 THR C C 41 174.892 174.892 173.097 1.795 19488 3075 1 13 . 1 1 41 41 THR CA C 41 59.109 59.109 60.157 -1.048 19488 3076 1 13 . 1 1 41 41 THR CB C 41 73.064 73.064 69.561 3.503 19488 3077 1 13 . 1 1 41 41 THR H H 41 8.149 8.149 8.294 -0.145 19488 3078 1 13 . 1 1 42 42 GLN N N 42 113.851 113.851 126.290 -12.439 19488 3079 1 13 . 1 1 42 42 GLN HA H 42 4.309 4.309 4.845 -0.536 19488 3080 1 13 . 1 1 42 42 GLN C C 42 174.849 174.849 175.971 -1.122 19488 3081 1 13 . 1 1 42 42 GLN CA C 42 55.340 55.340 54.536 0.804 19488 3082 1 13 . 1 1 42 42 GLN CB C 42 32.221 32.221 31.167 1.054 19488 3083 1 13 . 1 1 42 42 GLN H H 42 9.092 9.092 9.292 -0.200 19488 3084 1 13 . 1 1 43 43 TRP N N 43 120.309 120.309 123.204 -2.895 19488 3085 1 13 . 1 1 43 43 TRP C C 43 176.109 176.109 175.487 0.622 19488 3086 1 13 . 1 1 43 43 TRP CA C 43 59.210 59.210 58.518 0.692 19488 3087 1 13 . 1 1 43 43 TRP CB C 43 31.257 31.257 29.199 2.058 19488 3088 1 13 . 1 1 43 43 TRP H H 43 8.988 8.988 8.786 0.202 19488 3089 1 13 . 1 1 44 44 ASP N N 44 116.214 116.214 120.288 -4.074 19488 3090 1 13 . 1 1 44 44 ASP HA H 44 5.048 5.048 4.492 0.556 19488 3091 1 13 . 1 1 44 44 ASP CA C 44 51.638 51.638 54.502 -2.864 19488 3092 1 13 . 1 1 44 44 ASP CB C 44 40.185 40.185 39.433 0.752 19488 3093 1 13 . 1 1 44 44 ASP H H 44 7.806 7.806 7.329 0.477 19488 3094 1 13 . 1 1 46 46 PRO HA H 46 3.744 3.744 3.510 0.234 19488 3095 1 13 . 1 1 46 46 PRO C C 46 175.368 175.368 176.625 -1.257 19488 3096 1 13 . 1 1 46 46 PRO CA C 46 61.186 61.186 61.288 -0.102 19488 3097 1 13 . 1 1 46 46 PRO CB C 46 30.471 30.471 32.756 -2.285 19488 3098 1 13 . 1 1 47 47 THR N N 47 112.549 112.549 116.148 -3.599 19488 3099 1 13 . 1 1 47 47 THR HA H 47 4.140 4.140 4.245 -0.105 19488 3100 1 13 . 1 1 47 47 THR C C 47 174.132 174.132 174.154 -0.022 19488 3101 1 13 . 1 1 47 47 THR CA C 47 60.809 60.809 64.015 -3.206 19488 3102 1 13 . 1 1 47 47 THR CB C 47 70.206 70.206 67.713 2.493 19488 3103 1 13 . 1 1 47 47 THR H H 47 7.706 7.706 8.121 -0.415 19488 3104 1 13 . 1 1 48 48 TRP N N 48 123.411 123.411 128.086 -4.675 19488 3105 1 13 . 1 1 48 48 TRP HA H 48 4.340 4.340 4.510 -0.170 19488 3106 1 13 . 1 1 48 48 TRP C C 48 175.852 175.852 175.730 0.122 19488 3107 1 13 . 1 1 48 48 TRP CA C 48 57.750 57.750 58.652 -0.902 19488 3108 1 13 . 1 1 48 48 TRP CB C 48 29.261 29.261 30.590 -1.329 19488 3109 1 13 . 1 1 48 48 TRP H H 48 8.432 8.432 8.453 -0.021 19488 3110 1 13 . 1 1 49 49 GLU N N 49 123.053 123.053 116.585 6.468 19488 3111 1 13 . 1 1 49 49 GLU HA H 49 4.157 4.157 4.683 -0.526 19488 3112 1 13 . 1 1 49 49 GLU C C 49 175.724 175.724 174.421 1.303 19488 3113 1 13 . 1 1 49 49 GLU CA C 49 56.016 56.016 55.401 0.615 19488 3114 1 13 . 1 1 49 49 GLU CB C 49 30.509 30.509 33.762 -3.253 19488 3115 1 13 . 1 1 49 49 GLU H H 49 8.246 8.246 7.689 0.557 19488 3116 1 13 . 1 1 50 50 SER N N 50 118.135 118.135 117.139 0.996 19488 3117 1 13 . 1 1 50 50 SER HA H 50 4.436 4.436 4.843 -0.407 19488 3118 1 13 . 1 1 50 50 SER CA C 50 56.119 56.119 55.947 0.172 19488 3119 1 13 . 1 1 50 50 SER CB C 50 63.309 63.309 63.964 -0.655 19488 3120 1 13 . 1 1 50 50 SER H H 50 8.228 8.228 8.305 -0.077 19488 3121 1 13 . 1 1 51 51 PRO HA H 51 4.299 4.299 4.541 -0.242 19488 3122 1 13 . 1 1 51 51 PRO C C 51 177.365 177.365 178.174 -0.809 19488 3123 1 13 . 1 1 51 51 PRO CA C 51 63.458 63.458 62.268 1.190 19488 3124 1 13 . 1 1 51 51 PRO CB C 51 32.004 32.004 32.188 -0.184 19488 3125 1 13 . 1 1 52 52 GLY N N 52 109.163 109.163 106.938 2.225 19488 3126 1 13 . 1 1 52 52 GLY C C 52 173.865 173.865 175.488 -1.623 19488 3127 1 13 . 1 1 52 52 GLY CA C 52 45.040 45.040 46.508 -1.468 19488 3128 1 13 . 1 1 52 52 GLY H H 52 8.309 8.309 8.414 -0.105 19488 3129 1 13 . 1 1 53 53 ASP N N 53 120.553 120.553 119.628 0.925 19488 3130 1 13 . 1 1 53 53 ASP HA H 53 4.507 4.507 4.488 0.019 19488 3131 1 13 . 1 1 53 53 ASP C C 53 176.049 176.049 177.603 -1.554 19488 3132 1 13 . 1 1 53 53 ASP CA C 53 54.385 54.385 55.926 -1.542 19488 3133 1 13 . 1 1 53 53 ASP CB C 53 41.202 41.202 40.544 0.658 19488 3134 1 13 . 1 1 53 53 ASP H H 53 8.175 8.175 7.976 0.199 19488 3135 1 13 . 1 1 54 54 ASP N N 54 119.209 119.209 117.914 1.295 19488 3136 1 13 . 1 1 54 54 ASP HA H 54 4.483 4.483 4.415 0.068 19488 3137 1 13 . 1 1 54 54 ASP C C 54 175.804 175.804 176.850 -1.046 19488 3138 1 13 . 1 1 54 54 ASP CA C 54 54.197 54.197 55.208 -1.011 19488 3139 1 13 . 1 1 54 54 ASP CB C 54 40.934 40.934 41.122 -0.188 19488 3140 1 13 . 1 1 54 54 ASP H H 54 8.287 8.287 8.246 0.041 19488 3141 1 13 . 1 1 55 55 ALA N N 55 124.837 124.837 122.274 2.563 19488 3142 1 13 . 1 1 55 55 ALA HA H 55 4.186 4.186 3.833 0.353 19488 3143 1 13 . 1 1 55 55 ALA C C 55 176.839 176.839 176.567 0.272 19488 3144 1 13 . 1 1 55 55 ALA CA C 55 52.271 52.271 54.030 -1.759 19488 3145 1 13 . 1 1 55 55 ALA CB C 55 19.294 19.294 17.541 1.754 19488 3146 1 13 . 1 1 55 55 ALA H H 55 8.119 8.119 7.817 0.302 19488 3147 1 14 . 1 1 2 2 SER N N 2 117.587 117.587 119.587 -2.000 19488 3148 1 14 . 1 1 2 2 SER HA H 2 4.412 4.412 4.329 0.083 19488 3149 1 14 . 1 1 2 2 SER C C 2 173.921 173.921 175.110 -1.189 19488 3150 1 14 . 1 1 2 2 SER CA C 2 58.253 58.253 60.874 -2.621 19488 3151 1 14 . 1 1 2 2 SER CB C 2 63.958 63.958 64.107 -0.149 19488 3152 1 14 . 1 1 2 2 SER H H 2 8.036 8.036 8.923 -0.887 19488 3153 1 14 . 1 1 3 3 ASP N N 3 122.646 122.646 118.541 4.105 19488 3154 1 14 . 1 1 3 3 ASP HA H 3 4.531 4.531 4.696 -0.165 19488 3155 1 14 . 1 1 3 3 ASP C C 3 175.710 175.710 175.910 -0.200 19488 3156 1 14 . 1 1 3 3 ASP CA C 3 54.099 54.099 54.683 -0.584 19488 3157 1 14 . 1 1 3 3 ASP CB C 3 41.079 41.079 41.504 -0.425 19488 3158 1 14 . 1 1 3 3 ASP H H 3 8.453 8.453 8.579 -0.126 19488 3159 1 14 . 1 1 4 4 LEU N N 4 123.784 123.784 120.012 3.772 19488 3160 1 14 . 1 1 4 4 LEU HA H 4 4.473 4.473 4.887 -0.414 19488 3161 1 14 . 1 1 4 4 LEU CA C 4 52.953 52.953 51.700 1.253 19488 3162 1 14 . 1 1 4 4 LEU CB C 4 41.653 41.653 45.173 -3.520 19488 3163 1 14 . 1 1 4 4 LEU H H 4 8.178 8.178 7.717 0.461 19488 3164 1 14 . 1 1 7 7 PRO HA H 7 4.448 4.448 4.458 -0.010 19488 3165 1 14 . 1 1 7 7 PRO C C 7 174.930 174.930 176.135 -1.205 19488 3166 1 14 . 1 1 7 7 PRO CA C 7 61.363 61.363 62.671 -1.308 19488 3167 1 14 . 1 1 7 7 PRO CB C 7 32.014 32.014 32.996 -0.982 19488 3168 1 14 . 1 1 8 8 SER N N 8 116.891 116.891 117.101 -0.210 19488 3169 1 14 . 1 1 8 8 SER HA H 8 3.980 3.980 4.726 -0.746 19488 3170 1 14 . 1 1 8 8 SER CA C 8 57.703 57.703 56.924 0.779 19488 3171 1 14 . 1 1 8 8 SER CB C 8 62.241 62.241 63.466 -1.225 19488 3172 1 14 . 1 1 8 8 SER H H 8 8.281 8.281 8.235 0.046 19488 3173 1 14 . 1 1 14 14 THR C C 14 175.383 175.383 175.228 0.155 19488 3174 1 14 . 1 1 15 15 ILE N N 15 126.726 126.726 122.080 4.646 19488 3175 1 14 . 1 1 15 15 ILE HA H 15 4.075 4.075 3.984 0.091 19488 3176 1 14 . 1 1 15 15 ILE C C 15 175.223 175.223 176.703 -1.480 19488 3177 1 14 . 1 1 15 15 ILE CA C 15 60.716 60.716 61.268 -0.552 19488 3178 1 14 . 1 1 15 15 ILE CB C 15 38.878 38.878 38.797 0.081 19488 3179 1 14 . 1 1 15 15 ILE H H 15 8.344 8.344 7.734 0.610 19488 3180 1 14 . 1 1 16 16 VAL N N 16 128.233 128.233 123.836 4.397 19488 3181 1 14 . 1 1 16 16 VAL HA H 16 4.041 4.041 3.881 0.160 19488 3182 1 14 . 1 1 16 16 VAL C C 16 175.413 175.413 174.590 0.823 19488 3183 1 14 . 1 1 16 16 VAL CA C 16 61.884 61.884 62.352 -0.468 19488 3184 1 14 . 1 1 16 16 VAL CB C 16 32.472 32.472 32.524 -0.052 19488 3185 1 14 . 1 1 16 16 VAL H H 16 8.374 8.374 7.983 0.391 19488 3186 1 14 . 1 1 17 17 LEU N N 17 128.084 128.084 121.922 6.162 19488 3187 1 14 . 1 1 17 17 LEU HA H 17 4.482 4.482 4.642 -0.160 19488 3188 1 14 . 1 1 17 17 LEU CA C 17 52.176 52.176 50.831 1.345 19488 3189 1 14 . 1 1 17 17 LEU CB C 17 42.034 42.034 41.997 0.037 19488 3190 1 14 . 1 1 17 17 LEU H H 17 8.488 8.488 8.137 0.351 19488 3191 1 14 . 1 1 19 19 PRO HA H 19 4.110 4.110 4.232 -0.122 19488 3192 1 14 . 1 1 19 19 PRO C C 19 176.801 176.801 176.856 -0.055 19488 3193 1 14 . 1 1 19 19 PRO CA C 19 63.788 63.788 64.457 -0.669 19488 3194 1 14 . 1 1 19 19 PRO CB C 19 31.976 31.976 31.923 0.053 19488 3195 1 14 . 1 1 20 20 ASN N N 20 111.397 111.397 115.016 -3.619 19488 3196 1 14 . 1 1 20 20 ASN HA H 20 3.898 3.898 4.467 -0.569 19488 3197 1 14 . 1 1 20 20 ASN C C 20 172.167 172.167 175.320 -3.153 19488 3198 1 14 . 1 1 20 20 ASN CA C 20 55.054 55.054 53.754 1.300 19488 3199 1 14 . 1 1 20 20 ASN CB C 20 36.712 36.712 37.547 -0.835 19488 3200 1 14 . 1 1 20 20 ASN H H 20 8.516 8.516 8.397 0.119 19488 3201 1 14 . 1 1 21 21 TRP N N 21 117.522 117.522 119.448 -1.926 19488 3202 1 14 . 1 1 21 21 TRP HA H 21 5.006 5.006 4.587 0.419 19488 3203 1 14 . 1 1 21 21 TRP C C 21 175.534 175.534 175.431 0.103 19488 3204 1 14 . 1 1 21 21 TRP CA C 21 57.056 57.056 56.462 0.594 19488 3205 1 14 . 1 1 21 21 TRP CB C 21 31.558 31.558 29.925 1.633 19488 3206 1 14 . 1 1 21 21 TRP H H 21 7.317 7.317 7.519 -0.202 19488 3207 1 14 . 1 1 22 22 LYS N N 22 121.530 121.530 118.981 2.549 19488 3208 1 14 . 1 1 22 22 LYS HA H 22 4.457 4.457 4.781 -0.324 19488 3209 1 14 . 1 1 22 22 LYS C C 22 174.479 174.479 175.123 -0.644 19488 3210 1 14 . 1 1 22 22 LYS CA C 22 54.265 54.265 53.586 0.679 19488 3211 1 14 . 1 1 22 22 LYS CB C 22 37.342 37.342 36.226 1.116 19488 3212 1 14 . 1 1 22 22 LYS H H 22 8.947 8.947 8.062 0.885 19488 3213 1 14 . 1 1 23 23 THR N N 23 108.162 108.162 113.800 -5.638 19488 3214 1 14 . 1 1 23 23 THR HA H 23 4.961 4.961 4.822 0.139 19488 3215 1 14 . 1 1 23 23 THR C C 23 175.581 175.581 173.242 2.339 19488 3216 1 14 . 1 1 23 23 THR CA C 23 59.375 59.375 60.307 -0.932 19488 3217 1 14 . 1 1 23 23 THR CB C 23 71.708 71.708 70.560 1.148 19488 3218 1 14 . 1 1 23 23 THR H H 23 7.700 7.700 8.375 -0.675 19488 3219 1 14 . 1 1 24 24 ALA N N 24 124.178 124.178 126.527 -2.349 19488 3220 1 14 . 1 1 24 24 ALA HA H 24 4.243 4.243 4.461 -0.218 19488 3221 1 14 . 1 1 24 24 ALA C C 24 173.562 173.562 174.373 -0.811 19488 3222 1 14 . 1 1 24 24 ALA CA C 24 50.533 50.533 52.130 -1.597 19488 3223 1 14 . 1 1 24 24 ALA CB C 24 21.856 21.856 20.928 0.928 19488 3224 1 14 . 1 1 24 24 ALA H H 24 8.265 8.265 8.760 -0.495 19488 3225 1 14 . 1 1 25 25 ARG N N 25 115.093 115.093 118.558 -3.465 19488 3226 1 14 . 1 1 25 25 ARG HA H 25 5.222 5.222 4.876 0.346 19488 3227 1 14 . 1 1 25 25 ARG C C 25 176.749 176.749 175.201 1.548 19488 3228 1 14 . 1 1 25 25 ARG CA C 25 53.777 53.777 54.264 -0.487 19488 3229 1 14 . 1 1 25 25 ARG CB C 25 33.601 33.601 32.336 1.265 19488 3230 1 14 . 1 1 25 25 ARG H H 25 7.866 7.866 8.258 -0.392 19488 3231 1 14 . 1 1 26 26 ASP N N 26 126.621 126.621 120.508 6.113 19488 3232 1 14 . 1 1 26 26 ASP HA H 26 4.849 4.849 5.048 -0.199 19488 3233 1 14 . 1 1 26 26 ASP CA C 26 52.625 52.625 52.659 -0.034 19488 3234 1 14 . 1 1 26 26 ASP CB C 26 40.594 40.594 41.563 -0.969 19488 3235 1 14 . 1 1 26 26 ASP H H 26 9.377 9.377 8.807 0.570 19488 3236 1 14 . 1 1 27 27 PRO HA H 27 4.305 4.305 4.287 0.018 19488 3237 1 14 . 1 1 27 27 PRO C C 27 176.323 176.323 176.451 -0.128 19488 3238 1 14 . 1 1 27 27 PRO CA C 27 65.656 65.656 64.586 1.070 19488 3239 1 14 . 1 1 27 27 PRO CB C 27 31.959 31.959 31.677 0.282 19488 3240 1 14 . 1 1 28 28 GLU N N 28 115.086 115.086 118.116 -3.030 19488 3241 1 14 . 1 1 28 28 GLU HA H 28 4.344 4.344 4.318 0.026 19488 3242 1 14 . 1 1 28 28 GLU CA C 28 55.671 55.671 55.569 0.102 19488 3243 1 14 . 1 1 28 28 GLU CB C 28 30.313 30.313 27.875 2.438 19488 3244 1 14 . 1 1 28 28 GLU H H 28 7.933 7.933 7.952 -0.019 19488 3245 1 14 . 1 1 29 29 GLY N N 29 108.180 108.180 107.646 0.534 19488 3246 1 14 . 1 1 29 29 GLY C C 29 174.929 174.929 173.951 0.978 19488 3247 1 14 . 1 1 29 29 GLY CA C 29 45.348 45.348 45.813 -0.465 19488 3248 1 14 . 1 1 29 29 GLY H H 29 8.429 8.429 7.681 0.748 19488 3249 1 14 . 1 1 30 30 LYS N N 30 124.331 124.331 120.400 3.931 19488 3250 1 14 . 1 1 30 30 LYS C C 30 176.537 176.537 175.038 1.499 19488 3251 1 14 . 1 1 30 30 LYS CA C 30 57.723 57.723 55.703 2.020 19488 3252 1 14 . 1 1 30 30 LYS CB C 30 32.465 32.465 33.233 -0.768 19488 3253 1 14 . 1 1 30 30 LYS H H 30 8.895 8.895 7.618 1.277 19488 3254 1 14 . 1 1 31 31 ILE N N 31 125.574 125.574 125.856 -0.282 19488 3255 1 14 . 1 1 31 31 ILE HA H 31 4.201 4.201 4.321 -0.120 19488 3256 1 14 . 1 1 31 31 ILE C C 31 174.866 174.866 174.861 0.005 19488 3257 1 14 . 1 1 31 31 ILE CA C 31 61.221 61.221 59.288 1.933 19488 3258 1 14 . 1 1 31 31 ILE CB C 31 39.168 39.168 38.869 0.299 19488 3259 1 14 . 1 1 31 31 ILE H H 31 8.398 8.398 8.311 0.087 19488 3260 1 14 . 1 1 32 32 TYR N N 32 120.913 120.913 123.523 -2.610 19488 3261 1 14 . 1 1 32 32 TYR HA H 32 4.944 4.944 4.685 0.259 19488 3262 1 14 . 1 1 32 32 TYR C C 32 171.083 171.083 172.990 -1.907 19488 3263 1 14 . 1 1 32 32 TYR CA C 32 55.654 55.654 54.977 0.677 19488 3264 1 14 . 1 1 32 32 TYR CB C 32 39.566 39.566 40.373 -0.807 19488 3265 1 14 . 1 1 32 32 TYR H H 32 8.613 8.613 8.530 0.083 19488 3266 1 14 . 1 1 33 33 TYR N N 33 116.422 116.422 117.259 -0.837 19488 3267 1 14 . 1 1 33 33 TYR HA H 33 5.290 5.290 5.052 0.238 19488 3268 1 14 . 1 1 33 33 TYR C C 33 175.406 175.406 174.716 0.690 19488 3269 1 14 . 1 1 33 33 TYR CA C 33 56.476 56.476 56.293 0.183 19488 3270 1 14 . 1 1 33 33 TYR CB C 33 41.891 41.891 40.229 1.662 19488 3271 1 14 . 1 1 33 33 TYR H H 33 8.644 8.644 8.944 -0.300 19488 3272 1 14 . 1 1 34 34 TYR N N 34 117.976 117.976 120.879 -2.903 19488 3273 1 14 . 1 1 34 34 TYR HA H 34 5.954 5.954 5.264 0.690 19488 3274 1 14 . 1 1 34 34 TYR C C 34 170.962 170.962 174.341 -3.379 19488 3275 1 14 . 1 1 34 34 TYR CA C 34 55.440 55.440 55.392 0.048 19488 3276 1 14 . 1 1 34 34 TYR CB C 34 43.569 43.569 40.414 3.155 19488 3277 1 14 . 1 1 34 34 TYR H H 34 9.266 9.266 9.479 -0.213 19488 3278 1 14 . 1 1 35 35 HIS N N 35 124.263 124.263 123.116 1.147 19488 3279 1 14 . 1 1 35 35 HIS HA H 35 3.885 3.885 5.035 -1.150 19488 3280 1 14 . 1 1 35 35 HIS C C 35 178.636 178.636 175.779 2.857 19488 3281 1 14 . 1 1 35 35 HIS CA C 35 54.788 54.788 54.656 0.132 19488 3282 1 14 . 1 1 35 35 HIS CB C 35 32.272 32.272 31.259 1.012 19488 3283 1 14 . 1 1 35 35 HIS H H 35 7.644 7.644 8.916 -1.272 19488 3284 1 14 . 1 1 36 36 VAL N N 36 123.179 123.179 124.949 -1.770 19488 3285 1 14 . 1 1 36 36 VAL HA H 36 3.669 3.669 4.227 -0.558 19488 3286 1 14 . 1 1 36 36 VAL C C 36 176.537 176.537 177.218 -0.681 19488 3287 1 14 . 1 1 36 36 VAL CA C 36 64.572 64.572 64.523 0.049 19488 3288 1 14 . 1 1 36 36 VAL CB C 36 31.914 31.914 31.966 -0.052 19488 3289 1 14 . 1 1 36 36 VAL H H 36 8.503 8.503 8.263 0.240 19488 3290 1 14 . 1 1 37 37 ILE N N 37 120.710 120.710 120.075 0.635 19488 3291 1 14 . 1 1 37 37 ILE HA H 37 4.113 4.113 3.867 0.246 19488 3292 1 14 . 1 1 37 37 ILE C C 37 178.177 178.177 178.137 0.040 19488 3293 1 14 . 1 1 37 37 ILE CA C 37 62.557 62.557 64.285 -1.728 19488 3294 1 14 . 1 1 37 37 ILE CB C 37 38.116 38.116 37.806 0.310 19488 3295 1 14 . 1 1 37 37 ILE H H 37 8.845 8.845 7.789 1.056 19488 3296 1 14 . 1 1 38 38 THR N N 38 112.090 112.090 110.057 2.033 19488 3297 1 14 . 1 1 38 38 THR HA H 38 3.939 3.939 4.208 -0.269 19488 3298 1 14 . 1 1 38 38 THR C C 38 176.610 176.610 175.343 1.267 19488 3299 1 14 . 1 1 38 38 THR CA C 38 63.049 63.049 62.521 0.528 19488 3300 1 14 . 1 1 38 38 THR CB C 38 69.301 69.301 69.531 -0.230 19488 3301 1 14 . 1 1 38 38 THR H H 38 8.889 8.889 8.302 0.587 19488 3302 1 14 . 1 1 39 39 ARG N N 39 113.685 113.685 116.890 -3.205 19488 3303 1 14 . 1 1 39 39 ARG HA H 39 3.932 3.932 4.087 -0.155 19488 3304 1 14 . 1 1 39 39 ARG C C 39 174.683 174.683 174.491 0.192 19488 3305 1 14 . 1 1 39 39 ARG CA C 39 56.784 56.784 57.370 -0.585 19488 3306 1 14 . 1 1 39 39 ARG CB C 39 25.977 25.977 27.316 -1.339 19488 3307 1 14 . 1 1 39 39 ARG H H 39 8.059 8.059 8.067 -0.008 19488 3308 1 14 . 1 1 40 40 GLN N N 40 118.874 118.874 116.451 2.423 19488 3309 1 14 . 1 1 40 40 GLN HA H 40 4.235 4.235 5.621 -1.386 19488 3310 1 14 . 1 1 40 40 GLN C C 40 174.846 174.846 175.217 -0.371 19488 3311 1 14 . 1 1 40 40 GLN CA C 40 56.092 56.092 53.952 2.140 19488 3312 1 14 . 1 1 40 40 GLN CB C 40 29.485 29.485 33.675 -4.190 19488 3313 1 14 . 1 1 40 40 GLN H H 40 7.689 7.689 8.108 -0.419 19488 3314 1 14 . 1 1 41 41 THR N N 41 110.442 110.442 112.666 -2.224 19488 3315 1 14 . 1 1 41 41 THR HA H 41 5.789 5.789 4.918 0.871 19488 3316 1 14 . 1 1 41 41 THR C C 41 174.892 174.892 173.744 1.148 19488 3317 1 14 . 1 1 41 41 THR CA C 41 59.109 59.109 59.930 -0.821 19488 3318 1 14 . 1 1 41 41 THR CB C 41 73.064 73.064 70.294 2.770 19488 3319 1 14 . 1 1 41 41 THR H H 41 8.149 8.149 8.306 -0.157 19488 3320 1 14 . 1 1 42 42 GLN N N 42 113.851 113.851 123.100 -9.249 19488 3321 1 14 . 1 1 42 42 GLN HA H 42 4.309 4.309 4.395 -0.086 19488 3322 1 14 . 1 1 42 42 GLN C C 42 174.849 174.849 175.386 -0.537 19488 3323 1 14 . 1 1 42 42 GLN CA C 42 55.340 55.340 54.834 0.506 19488 3324 1 14 . 1 1 42 42 GLN CB C 42 32.221 32.221 31.014 1.207 19488 3325 1 14 . 1 1 42 42 GLN H H 42 9.092 9.092 8.963 0.129 19488 3326 1 14 . 1 1 43 43 TRP N N 43 120.309 120.309 123.256 -2.947 19488 3327 1 14 . 1 1 43 43 TRP C C 43 176.109 176.109 176.012 0.097 19488 3328 1 14 . 1 1 43 43 TRP CA C 43 59.210 59.210 59.044 0.166 19488 3329 1 14 . 1 1 43 43 TRP CB C 43 31.257 31.257 29.684 1.573 19488 3330 1 14 . 1 1 43 43 TRP H H 43 8.988 8.988 7.956 1.032 19488 3331 1 14 . 1 1 44 44 ASP N N 44 116.214 116.214 118.755 -2.541 19488 3332 1 14 . 1 1 44 44 ASP HA H 44 5.048 5.048 4.845 0.203 19488 3333 1 14 . 1 1 44 44 ASP CA C 44 51.638 51.638 54.846 -3.208 19488 3334 1 14 . 1 1 44 44 ASP CB C 44 40.185 40.185 39.114 1.071 19488 3335 1 14 . 1 1 44 44 ASP H H 44 7.806 7.806 7.482 0.324 19488 3336 1 14 . 1 1 46 46 PRO HA H 46 3.744 3.744 4.445 -0.701 19488 3337 1 14 . 1 1 46 46 PRO C C 46 175.368 175.368 176.206 -0.838 19488 3338 1 14 . 1 1 46 46 PRO CA C 46 61.186 61.186 62.303 -1.117 19488 3339 1 14 . 1 1 46 46 PRO CB C 46 30.471 30.471 32.710 -2.239 19488 3340 1 14 . 1 1 47 47 THR N N 47 112.549 112.549 113.444 -0.895 19488 3341 1 14 . 1 1 47 47 THR HA H 47 4.140 4.140 4.528 -0.388 19488 3342 1 14 . 1 1 47 47 THR C C 47 174.132 174.132 174.847 -0.715 19488 3343 1 14 . 1 1 47 47 THR CA C 47 60.809 60.809 60.843 -0.034 19488 3344 1 14 . 1 1 47 47 THR CB C 47 70.206 70.206 69.836 0.370 19488 3345 1 14 . 1 1 47 47 THR H H 47 7.706 7.706 8.192 -0.486 19488 3346 1 14 . 1 1 48 48 TRP N N 48 123.411 123.411 128.483 -5.072 19488 3347 1 14 . 1 1 48 48 TRP HA H 48 4.340 4.340 4.679 -0.339 19488 3348 1 14 . 1 1 48 48 TRP C C 48 175.852 175.852 175.716 0.136 19488 3349 1 14 . 1 1 48 48 TRP CA C 48 57.750 57.750 57.525 0.225 19488 3350 1 14 . 1 1 48 48 TRP CB C 48 29.261 29.261 30.547 -1.286 19488 3351 1 14 . 1 1 48 48 TRP H H 48 8.432 8.432 8.568 -0.136 19488 3352 1 14 . 1 1 49 49 GLU N N 49 123.053 123.053 118.137 4.916 19488 3353 1 14 . 1 1 49 49 GLU HA H 49 4.157 4.157 4.566 -0.409 19488 3354 1 14 . 1 1 49 49 GLU C C 49 175.724 175.724 174.283 1.441 19488 3355 1 14 . 1 1 49 49 GLU CA C 49 56.016 56.016 55.713 0.303 19488 3356 1 14 . 1 1 49 49 GLU CB C 49 30.509 30.509 33.565 -3.056 19488 3357 1 14 . 1 1 49 49 GLU H H 49 8.246 8.246 7.667 0.579 19488 3358 1 14 . 1 1 50 50 SER N N 50 118.135 118.135 115.964 2.171 19488 3359 1 14 . 1 1 50 50 SER HA H 50 4.436 4.436 4.822 -0.386 19488 3360 1 14 . 1 1 50 50 SER CA C 50 56.119 56.119 55.920 0.199 19488 3361 1 14 . 1 1 50 50 SER CB C 50 63.309 63.309 64.341 -1.032 19488 3362 1 14 . 1 1 50 50 SER H H 50 8.228 8.228 8.433 -0.205 19488 3363 1 14 . 1 1 51 51 PRO HA H 51 4.299 4.299 4.331 -0.032 19488 3364 1 14 . 1 1 51 51 PRO C C 51 177.365 177.365 178.715 -1.350 19488 3365 1 14 . 1 1 51 51 PRO CA C 51 63.458 63.458 63.688 -0.230 19488 3366 1 14 . 1 1 51 51 PRO CB C 51 32.004 32.004 31.896 0.108 19488 3367 1 14 . 1 1 52 52 GLY N N 52 109.163 109.163 105.408 3.755 19488 3368 1 14 . 1 1 52 52 GLY C C 52 173.865 173.865 176.145 -2.280 19488 3369 1 14 . 1 1 52 52 GLY CA C 52 45.040 45.040 46.414 -1.374 19488 3370 1 14 . 1 1 52 52 GLY H H 52 8.309 8.309 8.353 -0.044 19488 3371 1 14 . 1 1 53 53 ASP N N 53 120.553 120.553 120.323 0.230 19488 3372 1 14 . 1 1 53 53 ASP HA H 53 4.507 4.507 4.396 0.111 19488 3373 1 14 . 1 1 53 53 ASP C C 53 176.049 176.049 177.127 -1.078 19488 3374 1 14 . 1 1 53 53 ASP CA C 53 54.385 54.385 56.844 -2.459 19488 3375 1 14 . 1 1 53 53 ASP CB C 53 41.202 41.202 40.971 0.231 19488 3376 1 14 . 1 1 53 53 ASP H H 53 8.175 8.175 8.353 -0.178 19488 3377 1 14 . 1 1 54 54 ASP N N 54 119.209 119.209 118.307 0.902 19488 3378 1 14 . 1 1 54 54 ASP HA H 54 4.483 4.483 4.482 0.001 19488 3379 1 14 . 1 1 54 54 ASP C C 54 175.804 175.804 177.268 -1.464 19488 3380 1 14 . 1 1 54 54 ASP CA C 54 54.197 54.197 54.951 -0.754 19488 3381 1 14 . 1 1 54 54 ASP CB C 54 40.934 40.934 41.037 -0.103 19488 3382 1 14 . 1 1 54 54 ASP H H 54 8.287 8.287 7.921 0.366 19488 3383 1 14 . 1 1 55 55 ALA N N 55 124.837 124.837 121.791 3.046 19488 3384 1 14 . 1 1 55 55 ALA HA H 55 4.186 4.186 4.169 0.017 19488 3385 1 14 . 1 1 55 55 ALA C C 55 176.839 176.839 177.509 -0.670 19488 3386 1 14 . 1 1 55 55 ALA CA C 55 52.271 52.271 52.900 -0.629 19488 3387 1 14 . 1 1 55 55 ALA CB C 55 19.294 19.294 19.332 -0.038 19488 3388 1 14 . 1 1 55 55 ALA H H 55 8.119 8.119 7.478 0.641 19488 3389 1 15 . 1 1 2 2 SER N N 2 117.587 117.587 116.167 1.420 19488 3390 1 15 . 1 1 2 2 SER HA H 2 4.412 4.412 4.096 0.316 19488 3391 1 15 . 1 1 2 2 SER C C 2 173.921 173.921 174.160 -0.239 19488 3392 1 15 . 1 1 2 2 SER CA C 2 58.253 58.253 59.505 -1.252 19488 3393 1 15 . 1 1 2 2 SER CB C 2 63.958 63.958 63.349 0.609 19488 3394 1 15 . 1 1 2 2 SER H H 2 8.036 8.036 7.145 0.891 19488 3395 1 15 . 1 1 3 3 ASP N N 3 122.646 122.646 119.906 2.740 19488 3396 1 15 . 1 1 3 3 ASP HA H 3 4.531 4.531 4.542 -0.011 19488 3397 1 15 . 1 1 3 3 ASP C C 3 175.710 175.710 175.672 0.038 19488 3398 1 15 . 1 1 3 3 ASP CA C 3 54.099 54.099 54.989 -0.890 19488 3399 1 15 . 1 1 3 3 ASP CB C 3 41.079 41.079 41.626 -0.547 19488 3400 1 15 . 1 1 3 3 ASP H H 3 8.453 8.453 7.811 0.642 19488 3401 1 15 . 1 1 4 4 LEU N N 4 123.784 123.784 119.524 4.260 19488 3402 1 15 . 1 1 4 4 LEU HA H 4 4.473 4.473 4.774 -0.301 19488 3403 1 15 . 1 1 4 4 LEU CA C 4 52.953 52.953 51.815 1.138 19488 3404 1 15 . 1 1 4 4 LEU CB C 4 41.653 41.653 44.517 -2.864 19488 3405 1 15 . 1 1 4 4 LEU H H 4 8.178 8.178 7.327 0.851 19488 3406 1 15 . 1 1 7 7 PRO HA H 7 4.448 4.448 4.639 -0.191 19488 3407 1 15 . 1 1 7 7 PRO C C 7 174.930 174.930 175.960 -1.030 19488 3408 1 15 . 1 1 7 7 PRO CA C 7 61.363 61.363 62.598 -1.235 19488 3409 1 15 . 1 1 7 7 PRO CB C 7 32.014 32.014 32.547 -0.533 19488 3410 1 15 . 1 1 8 8 SER N N 8 116.891 116.891 117.488 -0.597 19488 3411 1 15 . 1 1 8 8 SER HA H 8 3.980 3.980 4.998 -1.018 19488 3412 1 15 . 1 1 8 8 SER CA C 8 57.703 57.703 56.033 1.669 19488 3413 1 15 . 1 1 8 8 SER CB C 8 62.241 62.241 63.014 -0.773 19488 3414 1 15 . 1 1 8 8 SER H H 8 8.281 8.281 8.466 -0.185 19488 3415 1 15 . 1 1 14 14 THR C C 14 175.383 175.383 174.917 0.466 19488 3416 1 15 . 1 1 15 15 ILE N N 15 126.726 126.726 121.881 4.845 19488 3417 1 15 . 1 1 15 15 ILE HA H 15 4.075 4.075 3.926 0.149 19488 3418 1 15 . 1 1 15 15 ILE C C 15 175.223 175.223 175.770 -0.547 19488 3419 1 15 . 1 1 15 15 ILE CA C 15 60.716 60.716 61.360 -0.644 19488 3420 1 15 . 1 1 15 15 ILE CB C 15 38.878 38.878 38.528 0.350 19488 3421 1 15 . 1 1 15 15 ILE H H 15 8.344 8.344 7.557 0.787 19488 3422 1 15 . 1 1 16 16 VAL N N 16 128.233 128.233 127.329 0.904 19488 3423 1 15 . 1 1 16 16 VAL HA H 16 4.041 4.041 4.125 -0.084 19488 3424 1 15 . 1 1 16 16 VAL C C 16 175.413 175.413 174.607 0.806 19488 3425 1 15 . 1 1 16 16 VAL CA C 16 61.884 61.884 62.689 -0.805 19488 3426 1 15 . 1 1 16 16 VAL CB C 16 32.472 32.472 32.885 -0.413 19488 3427 1 15 . 1 1 16 16 VAL H H 16 8.374 8.374 8.114 0.260 19488 3428 1 15 . 1 1 17 17 LEU N N 17 128.084 128.084 122.703 5.381 19488 3429 1 15 . 1 1 17 17 LEU HA H 17 4.482 4.482 4.471 0.011 19488 3430 1 15 . 1 1 17 17 LEU CA C 17 52.176 52.176 50.851 1.325 19488 3431 1 15 . 1 1 17 17 LEU CB C 17 42.034 42.034 43.648 -1.614 19488 3432 1 15 . 1 1 17 17 LEU H H 17 8.488 8.488 8.240 0.248 19488 3433 1 15 . 1 1 19 19 PRO HA H 19 4.110 4.110 4.096 0.014 19488 3434 1 15 . 1 1 19 19 PRO C C 19 176.801 176.801 176.800 0.001 19488 3435 1 15 . 1 1 19 19 PRO CA C 19 63.788 63.788 64.039 -0.251 19488 3436 1 15 . 1 1 19 19 PRO CB C 19 31.976 31.976 31.566 0.410 19488 3437 1 15 . 1 1 20 20 ASN N N 20 111.397 111.397 115.011 -3.614 19488 3438 1 15 . 1 1 20 20 ASN HA H 20 3.898 3.898 4.483 -0.585 19488 3439 1 15 . 1 1 20 20 ASN C C 20 172.167 172.167 175.525 -3.358 19488 3440 1 15 . 1 1 20 20 ASN CA C 20 55.054 55.054 54.644 0.410 19488 3441 1 15 . 1 1 20 20 ASN CB C 20 36.712 36.712 38.121 -1.409 19488 3442 1 15 . 1 1 20 20 ASN H H 20 8.516 8.516 8.015 0.501 19488 3443 1 15 . 1 1 21 21 TRP N N 21 117.522 117.522 122.069 -4.547 19488 3444 1 15 . 1 1 21 21 TRP HA H 21 5.006 5.006 4.568 0.438 19488 3445 1 15 . 1 1 21 21 TRP C C 21 175.534 175.534 174.122 1.412 19488 3446 1 15 . 1 1 21 21 TRP CA C 21 57.056 57.056 56.438 0.618 19488 3447 1 15 . 1 1 21 21 TRP CB C 21 31.558 31.558 32.226 -0.668 19488 3448 1 15 . 1 1 21 21 TRP H H 21 7.317 7.317 7.393 -0.076 19488 3449 1 15 . 1 1 22 22 LYS N N 22 121.530 121.530 116.901 4.629 19488 3450 1 15 . 1 1 22 22 LYS HA H 22 4.457 4.457 4.720 -0.263 19488 3451 1 15 . 1 1 22 22 LYS C C 22 174.479 174.479 175.385 -0.906 19488 3452 1 15 . 1 1 22 22 LYS CA C 22 54.265 54.265 53.512 0.753 19488 3453 1 15 . 1 1 22 22 LYS CB C 22 37.342 37.342 35.290 2.052 19488 3454 1 15 . 1 1 22 22 LYS H H 22 8.947 8.947 7.023 1.924 19488 3455 1 15 . 1 1 23 23 THR N N 23 108.162 108.162 113.970 -5.808 19488 3456 1 15 . 1 1 23 23 THR HA H 23 4.961 4.961 4.686 0.275 19488 3457 1 15 . 1 1 23 23 THR C C 23 175.581 175.581 173.836 1.745 19488 3458 1 15 . 1 1 23 23 THR CA C 23 59.375 59.375 60.313 -0.938 19488 3459 1 15 . 1 1 23 23 THR CB C 23 71.708 71.708 68.993 2.715 19488 3460 1 15 . 1 1 23 23 THR H H 23 7.700 7.700 7.933 -0.233 19488 3461 1 15 . 1 1 24 24 ALA N N 24 124.178 124.178 128.674 -4.496 19488 3462 1 15 . 1 1 24 24 ALA HA H 24 4.243 4.243 4.353 -0.110 19488 3463 1 15 . 1 1 24 24 ALA C C 24 173.562 173.562 174.016 -0.454 19488 3464 1 15 . 1 1 24 24 ALA CA C 24 50.533 50.533 51.693 -1.160 19488 3465 1 15 . 1 1 24 24 ALA CB C 24 21.856 21.856 20.641 1.215 19488 3466 1 15 . 1 1 24 24 ALA H H 24 8.265 8.265 8.960 -0.695 19488 3467 1 15 . 1 1 25 25 ARG N N 25 115.093 115.093 120.272 -5.179 19488 3468 1 15 . 1 1 25 25 ARG HA H 25 5.222 5.222 4.697 0.525 19488 3469 1 15 . 1 1 25 25 ARG C C 25 176.749 176.749 174.494 2.255 19488 3470 1 15 . 1 1 25 25 ARG CA C 25 53.777 53.777 54.698 -0.921 19488 3471 1 15 . 1 1 25 25 ARG CB C 25 33.601 33.601 33.138 0.463 19488 3472 1 15 . 1 1 25 25 ARG H H 25 7.866 7.866 8.134 -0.268 19488 3473 1 15 . 1 1 26 26 ASP N N 26 126.621 126.621 124.304 2.317 19488 3474 1 15 . 1 1 26 26 ASP HA H 26 4.849 4.849 4.975 -0.126 19488 3475 1 15 . 1 1 26 26 ASP CA C 26 52.625 52.625 51.721 0.904 19488 3476 1 15 . 1 1 26 26 ASP CB C 26 40.594 40.594 40.805 -0.211 19488 3477 1 15 . 1 1 26 26 ASP H H 26 9.377 9.377 9.003 0.374 19488 3478 1 15 . 1 1 27 27 PRO HA H 27 4.305 4.305 4.244 0.061 19488 3479 1 15 . 1 1 27 27 PRO C C 27 176.323 176.323 176.746 -0.423 19488 3480 1 15 . 1 1 27 27 PRO CA C 27 65.656 65.656 64.705 0.951 19488 3481 1 15 . 1 1 27 27 PRO CB C 27 31.959 31.959 31.770 0.189 19488 3482 1 15 . 1 1 28 28 GLU N N 28 115.086 115.086 116.967 -1.881 19488 3483 1 15 . 1 1 28 28 GLU HA H 28 4.344 4.344 4.385 -0.041 19488 3484 1 15 . 1 1 28 28 GLU CA C 28 55.671 55.671 55.182 0.489 19488 3485 1 15 . 1 1 28 28 GLU CB C 28 30.313 30.313 28.381 1.932 19488 3486 1 15 . 1 1 28 28 GLU H H 28 7.933 7.933 7.824 0.109 19488 3487 1 15 . 1 1 29 29 GLY N N 29 108.180 108.180 107.994 0.186 19488 3488 1 15 . 1 1 29 29 GLY C C 29 174.929 174.929 174.223 0.706 19488 3489 1 15 . 1 1 29 29 GLY CA C 29 45.348 45.348 46.143 -0.795 19488 3490 1 15 . 1 1 29 29 GLY H H 29 8.429 8.429 7.835 0.594 19488 3491 1 15 . 1 1 30 30 LYS N N 30 124.331 124.331 120.826 3.505 19488 3492 1 15 . 1 1 30 30 LYS C C 30 176.537 176.537 174.878 1.659 19488 3493 1 15 . 1 1 30 30 LYS CA C 30 57.723 57.723 54.266 3.458 19488 3494 1 15 . 1 1 30 30 LYS CB C 30 32.465 32.465 34.013 -1.548 19488 3495 1 15 . 1 1 30 30 LYS H H 30 8.895 8.895 8.164 0.731 19488 3496 1 15 . 1 1 31 31 ILE N N 31 125.574 125.574 125.339 0.235 19488 3497 1 15 . 1 1 31 31 ILE HA H 31 4.201 4.201 4.318 -0.117 19488 3498 1 15 . 1 1 31 31 ILE C C 31 174.866 174.866 175.189 -0.323 19488 3499 1 15 . 1 1 31 31 ILE CA C 31 61.221 61.221 59.113 2.108 19488 3500 1 15 . 1 1 31 31 ILE CB C 31 39.168 39.168 36.588 2.580 19488 3501 1 15 . 1 1 31 31 ILE H H 31 8.398 8.398 7.926 0.472 19488 3502 1 15 . 1 1 32 32 TYR N N 32 120.913 120.913 122.350 -1.437 19488 3503 1 15 . 1 1 32 32 TYR HA H 32 4.944 4.944 5.279 -0.335 19488 3504 1 15 . 1 1 32 32 TYR C C 32 171.083 171.083 173.327 -2.244 19488 3505 1 15 . 1 1 32 32 TYR CA C 32 55.654 55.654 55.657 -0.003 19488 3506 1 15 . 1 1 32 32 TYR CB C 32 39.566 39.566 40.561 -0.995 19488 3507 1 15 . 1 1 32 32 TYR H H 32 8.613 8.613 8.525 0.088 19488 3508 1 15 . 1 1 33 33 TYR N N 33 116.422 116.422 120.706 -4.284 19488 3509 1 15 . 1 1 33 33 TYR HA H 33 5.290 5.290 5.200 0.090 19488 3510 1 15 . 1 1 33 33 TYR C C 33 175.406 175.406 174.114 1.292 19488 3511 1 15 . 1 1 33 33 TYR CA C 33 56.476 56.476 56.797 -0.321 19488 3512 1 15 . 1 1 33 33 TYR CB C 33 41.891 41.891 41.607 0.284 19488 3513 1 15 . 1 1 33 33 TYR H H 33 8.644 8.644 8.528 0.116 19488 3514 1 15 . 1 1 34 34 TYR N N 34 117.976 117.976 122.766 -4.790 19488 3515 1 15 . 1 1 34 34 TYR HA H 34 5.954 5.954 5.176 0.778 19488 3516 1 15 . 1 1 34 34 TYR C C 34 170.962 170.962 173.787 -2.825 19488 3517 1 15 . 1 1 34 34 TYR CA C 34 55.440 55.440 54.205 1.235 19488 3518 1 15 . 1 1 34 34 TYR CB C 34 43.569 43.569 40.818 2.751 19488 3519 1 15 . 1 1 34 34 TYR H H 34 9.266 9.266 8.906 0.360 19488 3520 1 15 . 1 1 35 35 HIS N N 35 124.263 124.263 120.472 3.791 19488 3521 1 15 . 1 1 35 35 HIS HA H 35 3.885 3.885 5.225 -1.340 19488 3522 1 15 . 1 1 35 35 HIS C C 35 178.636 178.636 175.956 2.680 19488 3523 1 15 . 1 1 35 35 HIS CA C 35 54.788 54.788 54.780 0.008 19488 3524 1 15 . 1 1 35 35 HIS CB C 35 32.272 32.272 33.221 -0.949 19488 3525 1 15 . 1 1 35 35 HIS H H 35 7.644 7.644 9.028 -1.384 19488 3526 1 15 . 1 1 36 36 VAL N N 36 123.179 123.179 123.498 -0.319 19488 3527 1 15 . 1 1 36 36 VAL HA H 36 3.669 3.669 3.917 -0.248 19488 3528 1 15 . 1 1 36 36 VAL C C 36 176.537 176.537 176.809 -0.272 19488 3529 1 15 . 1 1 36 36 VAL CA C 36 64.572 64.572 64.681 -0.109 19488 3530 1 15 . 1 1 36 36 VAL CB C 36 31.914 31.914 31.696 0.218 19488 3531 1 15 . 1 1 36 36 VAL H H 36 8.503 8.503 8.918 -0.415 19488 3532 1 15 . 1 1 37 37 ILE N N 37 120.710 120.710 119.096 1.614 19488 3533 1 15 . 1 1 37 37 ILE HA H 37 4.113 4.113 3.800 0.313 19488 3534 1 15 . 1 1 37 37 ILE C C 37 178.177 178.177 177.700 0.477 19488 3535 1 15 . 1 1 37 37 ILE CA C 37 62.557 62.557 64.246 -1.689 19488 3536 1 15 . 1 1 37 37 ILE CB C 37 38.116 38.116 37.458 0.658 19488 3537 1 15 . 1 1 37 37 ILE H H 37 8.845 8.845 8.302 0.543 19488 3538 1 15 . 1 1 38 38 THR N N 38 112.090 112.090 110.485 1.605 19488 3539 1 15 . 1 1 38 38 THR HA H 38 3.939 3.939 4.146 -0.207 19488 3540 1 15 . 1 1 38 38 THR C C 38 176.610 176.610 174.974 1.636 19488 3541 1 15 . 1 1 38 38 THR CA C 38 63.049 63.049 63.232 -0.183 19488 3542 1 15 . 1 1 38 38 THR CB C 38 69.301 69.301 68.988 0.313 19488 3543 1 15 . 1 1 38 38 THR H H 38 8.889 8.889 8.300 0.589 19488 3544 1 15 . 1 1 39 39 ARG N N 39 113.685 113.685 117.603 -3.918 19488 3545 1 15 . 1 1 39 39 ARG HA H 39 3.932 3.932 4.171 -0.239 19488 3546 1 15 . 1 1 39 39 ARG C C 39 174.683 174.683 174.712 -0.029 19488 3547 1 15 . 1 1 39 39 ARG CA C 39 56.784 56.784 57.342 -0.557 19488 3548 1 15 . 1 1 39 39 ARG CB C 39 25.977 25.977 26.938 -0.961 19488 3549 1 15 . 1 1 39 39 ARG H H 39 8.059 8.059 7.759 0.300 19488 3550 1 15 . 1 1 40 40 GLN N N 40 118.874 118.874 117.491 1.383 19488 3551 1 15 . 1 1 40 40 GLN HA H 40 4.235 4.235 5.848 -1.613 19488 3552 1 15 . 1 1 40 40 GLN C C 40 174.846 174.846 175.671 -0.825 19488 3553 1 15 . 1 1 40 40 GLN CA C 40 56.092 56.092 53.986 2.106 19488 3554 1 15 . 1 1 40 40 GLN CB C 40 29.485 29.485 33.807 -4.322 19488 3555 1 15 . 1 1 40 40 GLN H H 40 7.689 7.689 8.417 -0.728 19488 3556 1 15 . 1 1 41 41 THR N N 41 110.442 110.442 116.650 -6.208 19488 3557 1 15 . 1 1 41 41 THR HA H 41 5.789 5.789 5.338 0.451 19488 3558 1 15 . 1 1 41 41 THR C C 41 174.892 174.892 172.687 2.205 19488 3559 1 15 . 1 1 41 41 THR CA C 41 59.109 59.109 60.705 -1.596 19488 3560 1 15 . 1 1 41 41 THR CB C 41 73.064 73.064 69.747 3.317 19488 3561 1 15 . 1 1 41 41 THR H H 41 8.149 8.149 8.324 -0.175 19488 3562 1 15 . 1 1 42 42 GLN N N 42 113.851 113.851 125.980 -12.129 19488 3563 1 15 . 1 1 42 42 GLN HA H 42 4.309 4.309 4.800 -0.491 19488 3564 1 15 . 1 1 42 42 GLN C C 42 174.849 174.849 174.911 -0.062 19488 3565 1 15 . 1 1 42 42 GLN CA C 42 55.340 55.340 54.898 0.442 19488 3566 1 15 . 1 1 42 42 GLN CB C 42 32.221 32.221 30.824 1.397 19488 3567 1 15 . 1 1 42 42 GLN H H 42 9.092 9.092 9.305 -0.213 19488 3568 1 15 . 1 1 43 43 TRP N N 43 120.309 120.309 125.814 -5.505 19488 3569 1 15 . 1 1 43 43 TRP C C 43 176.109 176.109 175.389 0.720 19488 3570 1 15 . 1 1 43 43 TRP CA C 43 59.210 59.210 59.023 0.187 19488 3571 1 15 . 1 1 43 43 TRP CB C 43 31.257 31.257 30.284 0.973 19488 3572 1 15 . 1 1 43 43 TRP H H 43 8.988 8.988 8.840 0.148 19488 3573 1 15 . 1 1 44 44 ASP N N 44 116.214 116.214 118.166 -1.952 19488 3574 1 15 . 1 1 44 44 ASP HA H 44 5.048 5.048 4.619 0.429 19488 3575 1 15 . 1 1 44 44 ASP CA C 44 51.638 51.638 54.702 -3.064 19488 3576 1 15 . 1 1 44 44 ASP CB C 44 40.185 40.185 39.966 0.219 19488 3577 1 15 . 1 1 44 44 ASP H H 44 7.806 7.806 8.111 -0.305 19488 3578 1 15 . 1 1 46 46 PRO HA H 46 3.744 3.744 4.618 -0.874 19488 3579 1 15 . 1 1 46 46 PRO C C 46 175.368 175.368 176.581 -1.213 19488 3580 1 15 . 1 1 46 46 PRO CA C 46 61.186 61.186 62.387 -1.201 19488 3581 1 15 . 1 1 46 46 PRO CB C 46 30.471 30.471 32.544 -2.073 19488 3582 1 15 . 1 1 47 47 THR N N 47 112.549 112.549 114.229 -1.680 19488 3583 1 15 . 1 1 47 47 THR HA H 47 4.140 4.140 4.542 -0.402 19488 3584 1 15 . 1 1 47 47 THR C C 47 174.132 174.132 174.550 -0.418 19488 3585 1 15 . 1 1 47 47 THR CA C 47 60.809 60.809 60.876 -0.067 19488 3586 1 15 . 1 1 47 47 THR CB C 47 70.206 70.206 69.307 0.899 19488 3587 1 15 . 1 1 47 47 THR H H 47 7.706 7.706 8.220 -0.514 19488 3588 1 15 . 1 1 48 48 TRP N N 48 123.411 123.411 130.461 -7.050 19488 3589 1 15 . 1 1 48 48 TRP HA H 48 4.340 4.340 4.643 -0.303 19488 3590 1 15 . 1 1 48 48 TRP C C 48 175.852 175.852 175.370 0.482 19488 3591 1 15 . 1 1 48 48 TRP CA C 48 57.750 57.750 58.331 -0.581 19488 3592 1 15 . 1 1 48 48 TRP CB C 48 29.261 29.261 30.562 -1.301 19488 3593 1 15 . 1 1 48 48 TRP H H 48 8.432 8.432 8.509 -0.077 19488 3594 1 15 . 1 1 49 49 GLU N N 49 123.053 123.053 118.347 4.706 19488 3595 1 15 . 1 1 49 49 GLU HA H 49 4.157 4.157 4.288 -0.131 19488 3596 1 15 . 1 1 49 49 GLU C C 49 175.724 175.724 174.564 1.160 19488 3597 1 15 . 1 1 49 49 GLU CA C 49 56.016 56.016 55.002 1.014 19488 3598 1 15 . 1 1 49 49 GLU CB C 49 30.509 30.509 31.872 -1.363 19488 3599 1 15 . 1 1 49 49 GLU H H 49 8.246 8.246 8.010 0.236 19488 3600 1 15 . 1 1 50 50 SER N N 50 118.135 118.135 116.542 1.593 19488 3601 1 15 . 1 1 50 50 SER HA H 50 4.436 4.436 4.811 -0.375 19488 3602 1 15 . 1 1 50 50 SER CA C 50 56.119 56.119 56.154 -0.035 19488 3603 1 15 . 1 1 50 50 SER CB C 50 63.309 63.309 63.713 -0.404 19488 3604 1 15 . 1 1 50 50 SER H H 50 8.228 8.228 8.328 -0.100 19488 3605 1 15 . 1 1 51 51 PRO HA H 51 4.299 4.299 4.433 -0.134 19488 3606 1 15 . 1 1 51 51 PRO C C 51 177.365 177.365 178.659 -1.294 19488 3607 1 15 . 1 1 51 51 PRO CA C 51 63.458 63.458 63.578 -0.120 19488 3608 1 15 . 1 1 51 51 PRO CB C 51 32.004 32.004 32.073 -0.069 19488 3609 1 15 . 1 1 52 52 GLY N N 52 109.163 109.163 105.523 3.640 19488 3610 1 15 . 1 1 52 52 GLY C C 52 173.865 173.865 175.317 -1.452 19488 3611 1 15 . 1 1 52 52 GLY CA C 52 45.040 45.040 46.338 -1.298 19488 3612 1 15 . 1 1 52 52 GLY H H 52 8.309 8.309 8.338 -0.029 19488 3613 1 15 . 1 1 53 53 ASP N N 53 120.553 120.553 119.223 1.330 19488 3614 1 15 . 1 1 53 53 ASP HA H 53 4.507 4.507 4.401 0.106 19488 3615 1 15 . 1 1 53 53 ASP C C 53 176.049 176.049 176.994 -0.945 19488 3616 1 15 . 1 1 53 53 ASP CA C 53 54.385 54.385 56.329 -1.944 19488 3617 1 15 . 1 1 53 53 ASP CB C 53 41.202 41.202 40.978 0.224 19488 3618 1 15 . 1 1 53 53 ASP H H 53 8.175 8.175 8.246 -0.071 19488 3619 1 15 . 1 1 54 54 ASP N N 54 119.209 119.209 119.200 0.009 19488 3620 1 15 . 1 1 54 54 ASP HA H 54 4.483 4.483 4.460 0.023 19488 3621 1 15 . 1 1 54 54 ASP C C 54 175.804 175.804 176.701 -0.897 19488 3622 1 15 . 1 1 54 54 ASP CA C 54 54.197 54.197 55.700 -1.503 19488 3623 1 15 . 1 1 54 54 ASP CB C 54 40.934 40.934 41.273 -0.339 19488 3624 1 15 . 1 1 54 54 ASP H H 54 8.287 8.287 7.597 0.690 19488 3625 1 15 . 1 1 55 55 ALA N N 55 124.837 124.837 123.321 1.516 19488 3626 1 15 . 1 1 55 55 ALA HA H 55 4.186 4.186 4.294 -0.108 19488 3627 1 15 . 1 1 55 55 ALA C C 55 176.839 176.839 176.663 0.176 19488 3628 1 15 . 1 1 55 55 ALA CA C 55 52.271 52.271 52.824 -0.553 19488 3629 1 15 . 1 1 55 55 ALA CB C 55 19.294 19.294 18.192 1.102 19488 3630 1 15 . 1 1 55 55 ALA H H 55 8.119 8.119 7.495 0.624 19488 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 39 3.871 -0.051 3.921 19488 2 1 1 "Average Difference" HA 44 0.486 0.082 0.485 19488 3 1 1 "Average Difference" C 38 1.309 0.122 1.321 19488 4 1 1 "Average Difference" CA 44 1.338 0.044 1.352 19488 5 1 1 "Average Difference" CB 42 1.524 0.061 1.541 19488 6 1 1 "Average Difference" HN 39 0.557 -0.127 0.549 19488 7 1 2 "Average Difference" N 39 3.911 -0.247 3.955 19488 8 1 2 "Average Difference" HA 44 0.426 0.111 0.417 19488 9 1 2 "Average Difference" C 38 1.413 -0.067 1.430 19488 10 1 2 "Average Difference" CA 44 1.174 -0.018 1.187 19488 11 1 2 "Average Difference" CB 42 1.347 -0.120 1.358 19488 12 1 2 "Average Difference" HN 39 0.516 -0.045 0.521 19488 13 1 3 "Average Difference" N 39 4.013 0.249 4.058 19488 14 1 3 "Average Difference" HA 44 0.414 0.113 0.403 19488 15 1 3 "Average Difference" C 38 1.434 0.102 1.450 19488 16 1 3 "Average Difference" CA 44 1.188 0.148 1.192 19488 17 1 3 "Average Difference" CB 42 1.491 0.055 1.509 19488 18 1 3 "Average Difference" HN 39 0.613 -0.072 0.617 19488 19 1 4 "Average Difference" N 39 4.188 -0.011 4.242 19488 20 1 4 "Average Difference" HA 44 0.450 0.133 0.435 19488 21 1 4 "Average Difference" C 38 1.397 0.049 1.415 19488 22 1 4 "Average Difference" CA 44 1.151 0.022 1.164 19488 23 1 4 "Average Difference" CB 42 1.562 0.223 1.565 19488 24 1 4 "Average Difference" HN 39 0.700 -0.198 0.680 19488 25 1 5 "Average Difference" N 39 4.297 -0.146 4.351 19488 26 1 5 "Average Difference" HA 44 0.467 0.098 0.462 19488 27 1 5 "Average Difference" C 38 1.385 0.126 1.398 19488 28 1 5 "Average Difference" CA 44 1.132 0.106 1.140 19488 29 1 5 "Average Difference" CB 42 1.460 -0.011 1.477 19488 30 1 5 "Average Difference" HN 39 0.586 -0.082 0.588 19488 31 1 6 "Average Difference" N 39 4.270 -0.202 4.321 19488 32 1 6 "Average Difference" HA 44 0.498 0.117 0.489 19488 33 1 6 "Average Difference" C 38 1.277 0.006 1.294 19488 34 1 6 "Average Difference" CA 44 1.198 0.000 1.212 19488 35 1 6 "Average Difference" CB 42 1.593 0.097 1.609 19488 36 1 6 "Average Difference" HN 39 0.570 -0.150 0.557 19488 37 1 7 "Average Difference" N 39 3.970 -0.402 4.002 19488 38 1 7 "Average Difference" HA 44 0.457 0.146 0.438 19488 39 1 7 "Average Difference" C 38 1.404 0.258 1.399 19488 40 1 7 "Average Difference" CA 44 1.193 0.157 1.196 19488 41 1 7 "Average Difference" CB 42 1.492 -0.063 1.508 19488 42 1 7 "Average Difference" HN 39 0.566 -0.086 0.566 19488 43 1 8 "Average Difference" N 39 4.388 -0.206 4.440 19488 44 1 8 "Average Difference" HA 44 0.531 0.058 0.534 19488 45 1 8 "Average Difference" C 38 1.355 0.086 1.370 19488 46 1 8 "Average Difference" CA 44 1.183 0.199 1.179 19488 47 1 8 "Average Difference" CB 42 1.663 -0.068 1.681 19488 48 1 8 "Average Difference" HN 39 0.595 -0.150 0.583 19488 49 1 9 "Average Difference" N 39 4.403 -0.128 4.459 19488 50 1 9 "Average Difference" HA 44 0.439 0.122 0.426 19488 51 1 9 "Average Difference" C 38 1.372 0.116 1.386 19488 52 1 9 "Average Difference" CA 44 1.312 0.111 1.323 19488 53 1 9 "Average Difference" CB 42 1.551 0.098 1.567 19488 54 1 9 "Average Difference" HN 39 0.641 -0.150 0.631 19488 55 1 10 "Average Difference" N 39 3.736 -0.203 3.779 19488 56 1 10 "Average Difference" HA 44 0.484 0.077 0.483 19488 57 1 10 "Average Difference" C 38 1.293 0.099 1.307 19488 58 1 10 "Average Difference" CA 44 1.212 -0.030 1.226 19488 59 1 10 "Average Difference" CB 42 1.518 0.002 1.537 19488 60 1 10 "Average Difference" HN 39 0.568 -0.134 0.559 19488 61 1 11 "Average Difference" N 39 3.495 -0.269 3.531 19488 62 1 11 "Average Difference" HA 44 0.469 0.073 0.468 19488 63 1 11 "Average Difference" C 38 1.319 0.084 1.334 19488 64 1 11 "Average Difference" CA 44 1.167 0.106 1.176 19488 65 1 11 "Average Difference" CB 42 1.507 0.006 1.525 19488 66 1 11 "Average Difference" HN 39 0.527 -0.130 0.517 19488 67 1 12 "Average Difference" N 39 4.039 -0.151 4.089 19488 68 1 12 "Average Difference" HA 44 0.426 0.043 0.428 19488 69 1 12 "Average Difference" C 38 1.297 0.065 1.312 19488 70 1 12 "Average Difference" CA 44 1.092 0.167 1.091 19488 71 1 12 "Average Difference" CB 42 1.578 -0.250 1.577 19488 72 1 12 "Average Difference" HN 39 0.507 -0.127 0.498 19488 73 1 13 "Average Difference" N 39 4.197 0.098 4.251 19488 74 1 13 "Average Difference" HA 44 0.451 0.024 0.456 19488 75 1 13 "Average Difference" C 38 1.294 0.089 1.308 19488 76 1 13 "Average Difference" CA 44 1.281 0.203 1.280 19488 77 1 13 "Average Difference" CB 42 1.711 -0.044 1.731 19488 78 1 13 "Average Difference" HN 39 0.624 -0.169 0.608 19488 79 1 14 "Average Difference" N 39 3.491 -0.018 3.537 19488 80 1 14 "Average Difference" HA 44 0.438 0.091 0.434 19488 81 1 14 "Average Difference" C 38 1.353 0.232 1.351 19488 82 1 14 "Average Difference" CA 44 1.163 0.146 1.168 19488 83 1 14 "Average Difference" CB 42 1.504 0.013 1.522 19488 84 1 14 "Average Difference" HN 39 0.549 -0.112 0.544 19488 85 1 15 "Average Difference" N 39 4.029 0.610 4.035 19488 86 1 15 "Average Difference" HA 44 0.482 0.103 0.477 19488 87 1 15 "Average Difference" C 38 1.337 -0.004 1.355 19488 88 1 15 "Average Difference" CA 44 1.228 0.111 1.237 19488 89 1 15 "Average Difference" CB 42 1.506 -0.036 1.524 19488 90 1 15 "Average Difference" HN 39 0.587 -0.169 0.569 19488 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 19488 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 SER N N 2 117.587 117.587 116.767 0.820 19488 2 1 . 1 1 2 2 SER HA H 2 4.412 4.412 4.253 0.159 19488 3 1 . 1 1 2 2 SER C C 2 173.921 173.921 174.682 -0.761 19488 4 1 . 1 1 2 2 SER CA C 2 58.253 58.253 60.544 -2.291 19488 5 1 . 1 1 2 2 SER CB C 2 63.958 63.958 63.564 0.394 19488 6 1 . 1 1 2 2 SER H H 2 8.036 8.036 8.205 -0.169 19488 7 1 . 1 1 3 3 ASP N N 3 122.646 122.646 119.390 3.256 19488 8 1 . 1 1 3 3 ASP HA H 3 4.531 4.531 4.627 -0.096 19488 9 1 . 1 1 3 3 ASP C C 3 175.710 175.710 175.465 0.245 19488 10 1 . 1 1 3 3 ASP CA C 3 54.099 54.099 55.093 -0.994 19488 11 1 . 1 1 3 3 ASP CB C 3 41.079 41.079 41.526 -0.447 19488 12 1 . 1 1 3 3 ASP H H 3 8.453 8.453 8.240 0.213 19488 13 1 . 1 1 4 4 LEU N N 4 123.784 123.784 119.417 4.367 19488 14 1 . 1 1 4 4 LEU HA H 4 4.473 4.473 4.809 -0.336 19488 15 1 . 1 1 4 4 LEU CA C 4 52.953 52.953 51.655 1.298 19488 16 1 . 1 1 4 4 LEU CB C 4 41.653 41.653 44.644 -2.991 19488 17 1 . 1 1 4 4 LEU H H 4 8.178 8.178 7.467 0.711 19488 18 1 . 1 1 7 7 PRO HA H 7 4.448 4.448 4.579 -0.131 19488 19 1 . 1 1 7 7 PRO C C 7 174.930 174.930 176.057 -1.127 19488 20 1 . 1 1 7 7 PRO CA C 7 61.363 61.363 62.430 -1.067 19488 21 1 . 1 1 7 7 PRO CB C 7 32.014 32.014 32.802 -0.788 19488 22 1 . 1 1 8 8 SER N N 8 116.891 116.891 117.109 -0.218 19488 23 1 . 1 1 8 8 SER HA H 8 3.980 3.980 4.863 -0.883 19488 24 1 . 1 1 8 8 SER CA C 8 57.703 57.703 56.163 1.539 19488 25 1 . 1 1 8 8 SER CB C 8 62.241 62.241 63.477 -1.236 19488 26 1 . 1 1 8 8 SER H H 8 8.281 8.281 8.480 -0.198 19488 27 1 . 1 1 14 14 THR C C 14 175.383 175.383 174.906 0.477 19488 28 1 . 1 1 15 15 ILE N N 15 126.726 126.726 121.773 4.953 19488 29 1 . 1 1 15 15 ILE HA H 15 4.075 4.075 3.885 0.190 19488 30 1 . 1 1 15 15 ILE C C 15 175.223 175.223 175.956 -0.733 19488 31 1 . 1 1 15 15 ILE CA C 15 60.716 60.716 61.177 -0.461 19488 32 1 . 1 1 15 15 ILE CB C 15 38.878 38.878 38.631 0.247 19488 33 1 . 1 1 15 15 ILE H H 15 8.344 8.344 7.616 0.728 19488 34 1 . 1 1 16 16 VAL N N 16 128.233 128.233 125.182 3.051 19488 35 1 . 1 1 16 16 VAL HA H 16 4.041 4.041 3.832 0.209 19488 36 1 . 1 1 16 16 VAL C C 16 175.413 175.413 174.724 0.689 19488 37 1 . 1 1 16 16 VAL CA C 16 61.884 61.884 62.386 -0.502 19488 38 1 . 1 1 16 16 VAL CB C 16 32.472 32.472 32.537 -0.065 19488 39 1 . 1 1 16 16 VAL H H 16 8.374 8.374 8.028 0.346 19488 40 1 . 1 1 17 17 LEU N N 17 128.084 128.084 120.628 7.456 19488 41 1 . 1 1 17 17 LEU HA H 17 4.482 4.482 4.632 -0.150 19488 42 1 . 1 1 17 17 LEU CA C 17 52.176 52.176 51.254 0.922 19488 43 1 . 1 1 17 17 LEU CB C 17 42.034 42.034 42.373 -0.339 19488 44 1 . 1 1 17 17 LEU H H 17 8.488 8.488 7.927 0.561 19488 45 1 . 1 1 19 19 PRO HA H 19 4.110 4.110 4.281 -0.171 19488 46 1 . 1 1 19 19 PRO C C 19 176.801 176.801 177.016 -0.215 19488 47 1 . 1 1 19 19 PRO CA C 19 63.788 63.788 64.369 -0.581 19488 48 1 . 1 1 19 19 PRO CB C 19 31.976 31.976 31.715 0.261 19488 49 1 . 1 1 20 20 ASN N N 20 111.397 111.397 114.769 -3.372 19488 50 1 . 1 1 20 20 ASN HA H 20 3.898 3.898 4.490 -0.592 19488 51 1 . 1 1 20 20 ASN C C 20 172.167 172.167 175.431 -3.264 19488 52 1 . 1 1 20 20 ASN CA C 20 55.054 55.054 54.463 0.591 19488 53 1 . 1 1 20 20 ASN CB C 20 36.712 36.712 38.072 -1.360 19488 54 1 . 1 1 20 20 ASN H H 20 8.516 8.516 8.240 0.276 19488 55 1 . 1 1 21 21 TRP N N 21 117.522 117.522 120.413 -2.891 19488 56 1 . 1 1 21 21 TRP HA H 21 5.006 5.006 4.619 0.387 19488 57 1 . 1 1 21 21 TRP C C 21 175.534 175.534 175.015 0.519 19488 58 1 . 1 1 21 21 TRP CA C 21 57.056 57.056 56.544 0.512 19488 59 1 . 1 1 21 21 TRP CB C 21 31.558 31.558 31.111 0.447 19488 60 1 . 1 1 21 21 TRP H H 21 7.317 7.317 7.516 -0.199 19488 61 1 . 1 1 22 22 LYS N N 22 121.530 121.530 118.223 3.307 19488 62 1 . 1 1 22 22 LYS HA H 22 4.457 4.457 4.730 -0.273 19488 63 1 . 1 1 22 22 LYS C C 22 174.479 174.479 175.353 -0.874 19488 64 1 . 1 1 22 22 LYS CA C 22 54.265 54.265 53.747 0.518 19488 65 1 . 1 1 22 22 LYS CB C 22 37.342 37.342 35.631 1.711 19488 66 1 . 1 1 22 22 LYS H H 22 8.947 8.947 7.840 1.107 19488 67 1 . 1 1 23 23 THR N N 23 108.162 108.162 113.459 -5.297 19488 68 1 . 1 1 23 23 THR HA H 23 4.961 4.961 4.771 0.190 19488 69 1 . 1 1 23 23 THR C C 23 175.581 175.581 173.411 2.170 19488 70 1 . 1 1 23 23 THR CA C 23 59.375 59.375 60.393 -1.018 19488 71 1 . 1 1 23 23 THR CB C 23 71.708 71.708 69.737 1.971 19488 72 1 . 1 1 23 23 THR H H 23 7.700 7.700 8.194 -0.494 19488 73 1 . 1 1 24 24 ALA N N 24 124.178 124.178 127.589 -3.411 19488 74 1 . 1 1 24 24 ALA HA H 24 4.243 4.243 4.441 -0.199 19488 75 1 . 1 1 24 24 ALA C C 24 173.562 173.562 174.136 -0.574 19488 76 1 . 1 1 24 24 ALA CA C 24 50.533 50.533 51.429 -0.896 19488 77 1 . 1 1 24 24 ALA CB C 24 21.856 21.856 21.335 0.521 19488 78 1 . 1 1 24 24 ALA H H 24 8.265 8.265 8.665 -0.400 19488 79 1 . 1 1 25 25 ARG N N 25 115.093 115.093 119.220 -4.127 19488 80 1 . 1 1 25 25 ARG HA H 25 5.222 5.222 4.715 0.507 19488 81 1 . 1 1 25 25 ARG C C 25 176.749 176.749 174.972 1.777 19488 82 1 . 1 1 25 25 ARG CA C 25 53.777 53.777 54.476 -0.699 19488 83 1 . 1 1 25 25 ARG CB C 25 33.601 33.601 33.097 0.504 19488 84 1 . 1 1 25 25 ARG H H 25 7.866 7.866 8.216 -0.350 19488 85 1 . 1 1 26 26 ASP N N 26 126.621 126.621 122.008 4.613 19488 86 1 . 1 1 26 26 ASP HA H 26 4.849 4.849 5.008 -0.159 19488 87 1 . 1 1 26 26 ASP CA C 26 52.625 52.625 52.678 -0.053 19488 88 1 . 1 1 26 26 ASP CB C 26 40.594 40.594 41.231 -0.637 19488 89 1 . 1 1 26 26 ASP H H 26 9.377 9.377 8.800 0.577 19488 90 1 . 1 1 27 27 PRO HA H 27 4.305 4.305 4.292 0.013 19488 91 1 . 1 1 27 27 PRO C C 27 176.323 176.323 176.672 -0.349 19488 92 1 . 1 1 27 27 PRO CA C 27 65.656 65.656 64.581 1.075 19488 93 1 . 1 1 27 27 PRO CB C 27 31.959 31.959 31.877 0.082 19488 94 1 . 1 1 28 28 GLU N N 28 115.086 115.086 118.329 -3.243 19488 95 1 . 1 1 28 28 GLU HA H 28 4.344 4.344 4.342 0.002 19488 96 1 . 1 1 28 28 GLU CA C 28 55.671 55.671 55.447 0.224 19488 97 1 . 1 1 28 28 GLU CB C 28 30.313 30.313 28.111 2.202 19488 98 1 . 1 1 28 28 GLU H H 28 7.933 7.933 7.962 -0.029 19488 99 1 . 1 1 29 29 GLY N N 29 108.180 108.180 107.593 0.587 19488 100 1 . 1 1 29 29 GLY C C 29 174.929 174.929 174.083 0.846 19488 101 1 . 1 1 29 29 GLY CA C 29 45.348 45.348 45.936 -0.588 19488 102 1 . 1 1 29 29 GLY H H 29 8.429 8.429 7.723 0.706 19488 103 1 . 1 1 30 30 LYS N N 30 124.331 124.331 120.098 4.233 19488 104 1 . 1 1 30 30 LYS C C 30 176.537 176.537 175.078 1.459 19488 105 1 . 1 1 30 30 LYS CA C 30 57.723 57.723 55.246 2.477 19488 106 1 . 1 1 30 30 LYS CB C 30 32.465 32.465 33.489 -1.024 19488 107 1 . 1 1 30 30 LYS H H 30 8.895 8.895 7.641 1.254 19488 108 1 . 1 1 31 31 ILE N N 31 125.574 125.574 124.192 1.382 19488 109 1 . 1 1 31 31 ILE HA H 31 4.201 4.201 4.255 -0.054 19488 110 1 . 1 1 31 31 ILE C C 31 174.866 174.866 175.127 -0.261 19488 111 1 . 1 1 31 31 ILE CA C 31 61.221 61.221 59.414 1.807 19488 112 1 . 1 1 31 31 ILE CB C 31 39.168 39.168 38.573 0.595 19488 113 1 . 1 1 31 31 ILE H H 31 8.398 8.398 8.331 0.067 19488 114 1 . 1 1 32 32 TYR N N 32 120.913 120.913 123.460 -2.547 19488 115 1 . 1 1 32 32 TYR HA H 32 4.944 4.944 4.859 0.085 19488 116 1 . 1 1 32 32 TYR C C 32 171.083 171.083 172.926 -1.843 19488 117 1 . 1 1 32 32 TYR CA C 32 55.654 55.654 55.154 0.500 19488 118 1 . 1 1 32 32 TYR CB C 32 39.566 39.566 40.480 -0.914 19488 119 1 . 1 1 32 32 TYR H H 32 8.613 8.613 8.563 0.050 19488 120 1 . 1 1 33 33 TYR N N 33 116.422 116.422 117.574 -1.152 19488 121 1 . 1 1 33 33 TYR HA H 33 5.290 5.290 5.030 0.260 19488 122 1 . 1 1 33 33 TYR C C 33 175.406 175.406 174.429 0.977 19488 123 1 . 1 1 33 33 TYR CA C 33 56.476 56.476 56.137 0.339 19488 124 1 . 1 1 33 33 TYR CB C 33 41.891 41.891 40.921 0.970 19488 125 1 . 1 1 33 33 TYR H H 33 8.644 8.644 8.797 -0.153 19488 126 1 . 1 1 34 34 TYR N N 34 117.976 117.976 119.974 -1.998 19488 127 1 . 1 1 34 34 TYR HA H 34 5.954 5.954 5.290 0.664 19488 128 1 . 1 1 34 34 TYR C C 34 170.962 170.962 173.962 -3.000 19488 129 1 . 1 1 34 34 TYR CA C 34 55.440 55.440 54.785 0.655 19488 130 1 . 1 1 34 34 TYR CB C 34 43.569 43.569 40.543 3.026 19488 131 1 . 1 1 34 34 TYR H H 34 9.266 9.266 9.214 0.052 19488 132 1 . 1 1 35 35 HIS N N 35 124.263 124.263 121.694 2.569 19488 133 1 . 1 1 35 35 HIS HA H 35 3.885 3.885 5.163 -1.278 19488 134 1 . 1 1 35 35 HIS C C 35 178.636 178.636 175.831 2.805 19488 135 1 . 1 1 35 35 HIS CA C 35 54.788 54.788 54.972 -0.184 19488 136 1 . 1 1 35 35 HIS CB C 35 32.272 32.272 32.449 -0.177 19488 137 1 . 1 1 35 35 HIS H H 35 7.644 7.644 9.053 -1.409 19488 138 1 . 1 1 36 36 VAL N N 36 123.179 123.179 122.872 0.307 19488 139 1 . 1 1 36 36 VAL HA H 36 3.669 3.669 3.943 -0.274 19488 140 1 . 1 1 36 36 VAL C C 36 176.537 176.537 176.851 -0.314 19488 141 1 . 1 1 36 36 VAL CA C 36 64.572 64.572 64.610 -0.038 19488 142 1 . 1 1 36 36 VAL CB C 36 31.914 31.914 31.851 0.063 19488 143 1 . 1 1 36 36 VAL H H 36 8.503 8.503 8.783 -0.280 19488 144 1 . 1 1 37 37 ILE N N 37 120.710 120.710 118.535 2.175 19488 145 1 . 1 1 37 37 ILE HA H 37 4.113 4.113 3.854 0.259 19488 146 1 . 1 1 37 37 ILE C C 37 178.177 178.177 177.899 0.278 19488 147 1 . 1 1 37 37 ILE CA C 37 62.557 62.557 64.044 -1.487 19488 148 1 . 1 1 37 37 ILE CB C 37 38.116 38.116 37.655 0.461 19488 149 1 . 1 1 37 37 ILE H H 37 8.845 8.845 8.282 0.563 19488 150 1 . 1 1 38 38 THR N N 38 112.090 112.090 109.340 2.750 19488 151 1 . 1 1 38 38 THR HA H 38 3.939 3.939 4.175 -0.236 19488 152 1 . 1 1 38 38 THR C C 38 176.610 176.610 175.057 1.553 19488 153 1 . 1 1 38 38 THR CA C 38 63.049 63.049 62.878 0.171 19488 154 1 . 1 1 38 38 THR CB C 38 69.301 69.301 69.136 0.165 19488 155 1 . 1 1 38 38 THR H H 38 8.889 8.889 8.207 0.682 19488 156 1 . 1 1 39 39 ARG N N 39 113.685 113.685 117.287 -3.602 19488 157 1 . 1 1 39 39 ARG HA H 39 3.932 3.932 4.141 -0.209 19488 158 1 . 1 1 39 39 ARG C C 39 174.683 174.683 174.453 0.230 19488 159 1 . 1 1 39 39 ARG CA C 39 56.784 56.784 57.232 -0.448 19488 160 1 . 1 1 39 39 ARG CB C 39 25.977 25.977 27.069 -1.092 19488 161 1 . 1 1 39 39 ARG H H 39 8.059 8.059 7.888 0.171 19488 162 1 . 1 1 40 40 GLN N N 40 118.874 118.874 116.585 2.289 19488 163 1 . 1 1 40 40 GLN HA H 40 4.235 4.235 5.491 -1.256 19488 164 1 . 1 1 40 40 GLN C C 40 174.846 174.846 175.264 -0.418 19488 165 1 . 1 1 40 40 GLN CA C 40 56.092 56.092 54.071 2.021 19488 166 1 . 1 1 40 40 GLN CB C 40 29.485 29.485 33.580 -4.095 19488 167 1 . 1 1 40 40 GLN H H 40 7.689 7.689 8.074 -0.385 19488 168 1 . 1 1 41 41 THR N N 41 110.442 110.442 115.104 -4.662 19488 169 1 . 1 1 41 41 THR HA H 41 5.789 5.789 5.167 0.622 19488 170 1 . 1 1 41 41 THR C C 41 174.892 174.892 173.260 1.632 19488 171 1 . 1 1 41 41 THR CA C 41 59.109 59.109 60.141 -1.032 19488 172 1 . 1 1 41 41 THR CB C 41 73.064 73.064 70.121 2.943 19488 173 1 . 1 1 41 41 THR H H 41 8.149 8.149 8.335 -0.186 19488 174 1 . 1 1 42 42 GLN N N 42 113.851 113.851 125.598 -11.747 19488 175 1 . 1 1 42 42 GLN HA H 42 4.309 4.309 4.664 -0.355 19488 176 1 . 1 1 42 42 GLN C C 42 174.849 174.849 175.466 -0.617 19488 177 1 . 1 1 42 42 GLN CA C 42 55.340 55.340 54.701 0.639 19488 178 1 . 1 1 42 42 GLN CB C 42 32.221 32.221 31.078 1.143 19488 179 1 . 1 1 42 42 GLN H H 42 9.092 9.092 9.161 -0.069 19488 180 1 . 1 1 43 43 TRP N N 43 120.309 120.309 124.056 -3.747 19488 181 1 . 1 1 43 43 TRP C C 43 176.109 176.109 175.767 0.342 19488 182 1 . 1 1 43 43 TRP CA C 43 59.210 59.210 58.641 0.569 19488 183 1 . 1 1 43 43 TRP CB C 43 31.257 31.257 29.550 1.707 19488 184 1 . 1 1 43 43 TRP H H 43 8.988 8.988 8.431 0.557 19488 185 1 . 1 1 44 44 ASP N N 44 116.214 116.214 119.684 -3.470 19488 186 1 . 1 1 44 44 ASP HA H 44 5.048 5.048 4.725 0.323 19488 187 1 . 1 1 44 44 ASP CA C 44 51.638 51.638 54.107 -2.469 19488 188 1 . 1 1 44 44 ASP CB C 44 40.185 40.185 39.505 0.680 19488 189 1 . 1 1 44 44 ASP H H 44 7.806 7.806 7.463 0.343 19488 190 1 . 1 1 46 46 PRO HA H 46 3.744 3.744 4.458 -0.715 19488 191 1 . 1 1 46 46 PRO C C 46 175.368 175.368 176.771 -1.403 19488 192 1 . 1 1 46 46 PRO CA C 46 61.186 61.186 62.380 -1.194 19488 193 1 . 1 1 46 46 PRO CB C 46 30.471 30.471 32.671 -2.200 19488 194 1 . 1 1 47 47 THR N N 47 112.549 112.549 114.702 -2.153 19488 195 1 . 1 1 47 47 THR HA H 47 4.140 4.140 4.421 -0.281 19488 196 1 . 1 1 47 47 THR C C 47 174.132 174.132 174.892 -0.760 19488 197 1 . 1 1 47 47 THR CA C 47 60.809 60.809 61.488 -0.679 19488 198 1 . 1 1 47 47 THR CB C 47 70.206 70.206 68.638 1.568 19488 199 1 . 1 1 47 47 THR H H 47 7.706 7.706 8.341 -0.635 19488 200 1 . 1 1 48 48 TRP N N 48 123.411 123.411 126.054 -2.643 19488 201 1 . 1 1 48 48 TRP HA H 48 4.340 4.340 4.619 -0.279 19488 202 1 . 1 1 48 48 TRP C C 48 175.852 175.852 175.706 0.146 19488 203 1 . 1 1 48 48 TRP CA C 48 57.750 57.750 58.217 -0.467 19488 204 1 . 1 1 48 48 TRP CB C 48 29.261 29.261 30.179 -0.918 19488 205 1 . 1 1 48 48 TRP H H 48 8.432 8.432 8.478 -0.046 19488 206 1 . 1 1 49 49 GLU N N 49 123.053 123.053 117.123 5.930 19488 207 1 . 1 1 49 49 GLU HA H 49 4.157 4.157 4.521 -0.364 19488 208 1 . 1 1 49 49 GLU C C 49 175.724 175.724 174.526 1.198 19488 209 1 . 1 1 49 49 GLU CA C 49 56.016 56.016 55.219 0.797 19488 210 1 . 1 1 49 49 GLU CB C 49 30.509 30.509 32.869 -2.360 19488 211 1 . 1 1 49 49 GLU H H 49 8.246 8.246 7.669 0.577 19488 212 1 . 1 1 50 50 SER N N 50 118.135 118.135 116.599 1.536 19488 213 1 . 1 1 50 50 SER HA H 50 4.436 4.436 4.844 -0.408 19488 214 1 . 1 1 50 50 SER CA C 50 56.119 56.119 55.656 0.463 19488 215 1 . 1 1 50 50 SER CB C 50 63.309 63.309 64.185 -0.876 19488 216 1 . 1 1 50 50 SER H H 50 8.228 8.228 8.394 -0.166 19488 217 1 . 1 1 51 51 PRO HA H 51 4.299 4.299 4.442 -0.143 19488 218 1 . 1 1 51 51 PRO C C 51 177.365 177.365 178.360 -0.995 19488 219 1 . 1 1 51 51 PRO CA C 51 63.458 63.458 63.092 0.366 19488 220 1 . 1 1 51 51 PRO CB C 51 32.004 32.004 32.109 -0.105 19488 221 1 . 1 1 52 52 GLY N N 52 109.163 109.163 106.133 3.030 19488 222 1 . 1 1 52 52 GLY C C 52 173.865 173.865 175.620 -1.755 19488 223 1 . 1 1 52 52 GLY CA C 52 45.040 45.040 46.547 -1.507 19488 224 1 . 1 1 52 52 GLY H H 52 8.309 8.309 8.478 -0.169 19488 225 1 . 1 1 53 53 ASP N N 53 120.553 120.553 119.771 0.782 19488 226 1 . 1 1 53 53 ASP HA H 53 4.507 4.507 4.421 0.086 19488 227 1 . 1 1 53 53 ASP C C 53 176.049 176.049 177.229 -1.180 19488 228 1 . 1 1 53 53 ASP CA C 53 54.385 54.385 56.454 -2.069 19488 229 1 . 1 1 53 53 ASP CB C 53 41.202 41.202 40.675 0.527 19488 230 1 . 1 1 53 53 ASP H H 53 8.175 8.175 8.255 -0.080 19488 231 1 . 1 1 54 54 ASP N N 54 119.209 119.209 118.893 0.316 19488 232 1 . 1 1 54 54 ASP HA H 54 4.483 4.483 4.550 -0.067 19488 233 1 . 1 1 54 54 ASP C C 54 175.804 175.804 176.491 -0.687 19488 234 1 . 1 1 54 54 ASP CA C 54 54.197 54.197 54.981 -0.784 19488 235 1 . 1 1 54 54 ASP CB C 54 40.934 40.934 41.706 -0.772 19488 236 1 . 1 1 54 54 ASP H H 54 8.287 8.287 7.838 0.449 19488 237 1 . 1 1 55 55 ALA N N 55 124.837 124.837 121.467 3.370 19488 238 1 . 1 1 55 55 ALA HA H 55 4.186 4.186 4.312 -0.126 19488 239 1 . 1 1 55 55 ALA C C 55 176.839 176.839 176.506 0.333 19488 240 1 . 1 1 55 55 ALA CA C 55 52.271 52.271 52.564 -0.293 19488 241 1 . 1 1 55 55 ALA CB C 55 19.294 19.294 18.980 0.314 19488 242 1 . 1 1 55 55 ALA H H 55 8.119 8.119 7.745 0.374 19488 stop_ save_