data_19487 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19487 _Entry.PDB_ID 2MDI 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 19487 _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 2 117.407 117.407 116.687 0.720 19487 2 1 1 . 1 1 2 2 SER HA H 2 4.489 4.489 4.334 0.155 19487 3 1 1 . 1 1 2 2 SER C C 2 176.003 176.003 175.063 0.940 19487 4 1 1 . 1 1 2 2 SER CA C 2 61.265 61.265 61.096 0.169 19487 5 1 1 . 1 1 2 2 SER CB C 2 66.930 66.930 63.647 3.283 19487 6 1 1 . 1 1 2 2 SER H H 2 8.038 8.038 9.080 -1.042 19487 7 1 1 . 1 1 3 3 ASP N N 3 122.561 122.561 121.213 1.348 19487 8 1 1 . 1 1 3 3 ASP HA H 3 4.589 4.589 4.713 -0.124 19487 9 1 1 . 1 1 3 3 ASP C C 3 175.831 175.831 175.587 0.244 19487 10 1 1 . 1 1 3 3 ASP CA C 3 57.207 57.207 55.419 1.788 19487 11 1 1 . 1 1 3 3 ASP CB C 3 44.183 44.183 41.520 2.663 19487 12 1 1 . 1 1 3 3 ASP H H 3 8.506 8.506 8.678 -0.172 19487 13 1 1 . 1 1 4 4 LEU N N 4 123.656 123.656 120.211 3.445 19487 14 1 1 . 1 1 4 4 LEU HA H 4 4.548 4.548 4.744 -0.196 19487 15 1 1 . 1 1 4 4 LEU CA C 4 56.089 56.089 51.505 4.584 19487 16 1 1 . 1 1 4 4 LEU H H 4 8.187 8.187 7.575 0.612 19487 17 1 1 . 1 1 7 7 PRO HA H 7 4.361 4.361 4.652 -0.291 19487 18 1 1 . 1 1 7 7 PRO C C 7 175.043 175.043 176.345 -1.302 19487 19 1 1 . 1 1 7 7 PRO CA C 7 64.870 64.870 62.179 2.691 19487 20 1 1 . 1 1 7 7 PRO CB C 7 35.143 35.143 32.700 2.443 19487 21 1 1 . 1 1 8 8 SER N N 8 116.762 116.762 117.083 -0.321 19487 22 1 1 . 1 1 8 8 SER HA H 8 3.925 3.925 4.649 -0.724 19487 23 1 1 . 1 1 8 8 SER CA C 8 60.475 60.475 56.013 4.462 19487 24 1 1 . 1 1 8 8 SER CB C 8 65.096 65.096 63.170 1.926 19487 25 1 1 . 1 1 8 8 SER H H 8 8.302 8.302 8.298 0.004 19487 26 1 1 . 1 1 11 11 ALA HA H 11 4.218 4.218 4.088 0.130 19487 27 1 1 . 1 1 11 11 ALA C C 11 178.565 178.565 179.218 -0.653 19487 28 1 1 . 1 1 11 11 ALA CA C 11 55.637 55.637 54.363 1.274 19487 29 1 1 . 1 1 11 11 ALA CB C 11 21.863 21.863 18.463 3.400 19487 30 1 1 . 1 1 12 12 ALA N N 12 125.155 125.155 120.603 4.552 19487 31 1 1 . 1 1 12 12 ALA HA H 12 4.247 4.247 4.214 0.033 19487 32 1 1 . 1 1 12 12 ALA C C 12 177.718 177.718 179.182 -1.464 19487 33 1 1 . 1 1 12 12 ALA CA C 12 56.529 56.529 53.890 2.639 19487 34 1 1 . 1 1 12 12 ALA CB C 12 22.033 22.033 18.135 3.898 19487 35 1 1 . 1 1 12 12 ALA H H 12 8.596 8.596 8.517 0.079 19487 36 1 1 . 1 1 13 13 ALA N N 13 122.474 122.474 119.907 2.567 19487 37 1 1 . 1 1 13 13 ALA HA H 13 4.387 4.387 4.293 0.094 19487 38 1 1 . 1 1 13 13 ALA C C 13 177.521 177.521 178.324 -0.803 19487 39 1 1 . 1 1 13 13 ALA CA C 13 55.079 55.079 54.418 0.661 19487 40 1 1 . 1 1 13 13 ALA CB C 13 22.732 22.732 18.425 4.307 19487 41 1 1 . 1 1 13 13 ALA H H 13 8.117 8.117 7.357 0.760 19487 42 1 1 . 1 1 14 14 THR N N 14 114.271 114.271 111.376 2.895 19487 43 1 1 . 1 1 14 14 THR HA H 14 4.196 4.196 4.414 -0.218 19487 44 1 1 . 1 1 14 14 THR C C 14 174.319 174.319 176.174 -1.855 19487 45 1 1 . 1 1 14 14 THR CA C 14 65.631 65.631 64.041 1.590 19487 46 1 1 . 1 1 14 14 THR CB C 14 72.638 72.638 69.422 3.216 19487 47 1 1 . 1 1 14 14 THR H H 14 8.202 8.202 7.485 0.717 19487 48 1 1 . 1 1 15 15 ILE N N 15 125.881 125.881 121.811 4.070 19487 49 1 1 . 1 1 15 15 ILE HA H 15 4.139 4.139 3.818 0.321 19487 50 1 1 . 1 1 15 15 ILE C C 15 175.396 175.396 175.410 -0.014 19487 51 1 1 . 1 1 15 15 ILE CA C 15 64.025 64.025 63.897 0.128 19487 52 1 1 . 1 1 15 15 ILE CB C 15 41.834 41.834 38.489 3.345 19487 53 1 1 . 1 1 15 15 ILE H H 15 8.149 8.149 7.758 0.391 19487 54 1 1 . 1 1 16 16 VAL N N 16 128.849 128.849 116.030 12.819 19487 55 1 1 . 1 1 16 16 VAL HA H 16 4.104 4.104 4.355 -0.251 19487 56 1 1 . 1 1 16 16 VAL C C 16 175.476 175.476 173.997 1.479 19487 57 1 1 . 1 1 16 16 VAL CA C 16 65.134 65.134 61.477 3.657 19487 58 1 1 . 1 1 16 16 VAL CB C 16 35.473 35.473 34.752 0.721 19487 59 1 1 . 1 1 16 16 VAL H H 16 8.453 8.453 7.916 0.537 19487 60 1 1 . 1 1 17 17 LEU N N 17 128.264 128.264 123.702 4.562 19487 61 1 1 . 1 1 17 17 LEU HA H 17 4.587 4.587 4.231 0.356 19487 62 1 1 . 1 1 17 17 LEU CA C 17 55.193 55.193 50.771 4.422 19487 63 1 1 . 1 1 17 17 LEU CB C 17 45.309 45.309 44.660 0.649 19487 64 1 1 . 1 1 17 17 LEU H H 17 8.538 8.538 8.270 0.268 19487 65 1 1 . 1 1 19 19 PRO HA H 19 4.200 4.200 4.613 -0.413 19487 66 1 1 . 1 1 19 19 PRO C C 19 176.905 176.905 177.108 -0.203 19487 67 1 1 . 1 1 19 19 PRO CA C 19 66.913 66.913 64.946 1.967 19487 68 1 1 . 1 1 19 19 PRO CB C 19 35.066 35.066 31.811 3.255 19487 69 1 1 . 1 1 20 20 ASN N N 20 111.422 111.422 114.824 -3.402 19487 70 1 1 . 1 1 20 20 ASN HA H 20 3.984 3.984 4.628 -0.644 19487 71 1 1 . 1 1 20 20 ASN C C 20 172.258 172.258 175.461 -3.203 19487 72 1 1 . 1 1 20 20 ASN CA C 20 58.148 58.148 53.497 4.651 19487 73 1 1 . 1 1 20 20 ASN CB C 20 39.841 39.841 37.994 1.847 19487 74 1 1 . 1 1 20 20 ASN H H 20 8.543 8.543 8.431 0.112 19487 75 1 1 . 1 1 21 21 TRP N N 21 117.593 117.593 120.328 -2.735 19487 76 1 1 . 1 1 21 21 TRP HA H 21 5.082 5.082 4.617 0.465 19487 77 1 1 . 1 1 21 21 TRP C C 21 175.610 175.610 175.492 0.118 19487 78 1 1 . 1 1 21 21 TRP CA C 21 60.096 60.096 56.763 3.333 19487 79 1 1 . 1 1 21 21 TRP CB C 21 34.695 34.695 30.590 4.105 19487 80 1 1 . 1 1 21 21 TRP H H 21 7.400 7.400 8.179 -0.779 19487 81 1 1 . 1 1 22 22 LYS N N 22 121.362 121.362 121.189 0.173 19487 82 1 1 . 1 1 22 22 LYS HA H 22 4.532 4.532 4.236 0.296 19487 83 1 1 . 1 1 22 22 LYS C C 22 174.616 174.616 174.620 -0.004 19487 84 1 1 . 1 1 22 22 LYS CA C 22 57.332 57.332 53.086 4.247 19487 85 1 1 . 1 1 22 22 LYS CB C 22 40.444 40.444 36.428 4.016 19487 86 1 1 . 1 1 22 22 LYS H H 22 9.007 9.007 8.324 0.683 19487 87 1 1 . 1 1 23 23 THR N N 23 108.761 108.761 110.784 -2.023 19487 88 1 1 . 1 1 23 23 THR HA H 23 4.986 4.986 4.991 -0.005 19487 89 1 1 . 1 1 23 23 THR C C 23 173.623 173.623 173.451 0.172 19487 90 1 1 . 1 1 23 23 THR CA C 23 62.791 62.791 60.022 2.769 19487 91 1 1 . 1 1 23 23 THR CB C 23 74.679 74.679 71.592 3.087 19487 92 1 1 . 1 1 23 23 THR H H 23 7.757 7.757 7.897 -0.140 19487 93 1 1 . 1 1 24 24 ALA N N 24 124.455 124.455 122.930 1.525 19487 94 1 1 . 1 1 24 24 ALA HA H 24 4.332 4.332 4.574 -0.242 19487 95 1 1 . 1 1 24 24 ALA C C 24 173.702 173.702 173.897 -0.195 19487 96 1 1 . 1 1 24 24 ALA CA C 24 53.620 53.620 51.561 2.059 19487 97 1 1 . 1 1 24 24 ALA CB C 24 24.927 24.927 22.123 2.804 19487 98 1 1 . 1 1 24 24 ALA H H 24 8.352 8.352 8.603 -0.251 19487 99 1 1 . 1 1 25 25 ARG N N 25 115.144 115.144 120.322 -5.178 19487 100 1 1 . 1 1 25 25 ARG HA H 25 5.339 5.339 5.211 0.128 19487 101 1 1 . 1 1 25 25 ARG C C 25 176.810 176.810 174.772 2.038 19487 102 1 1 . 1 1 25 25 ARG CA C 25 56.600 56.600 54.830 1.770 19487 103 1 1 . 1 1 25 25 ARG CB C 25 36.731 36.731 33.618 3.113 19487 104 1 1 . 1 1 25 25 ARG H H 25 7.882 7.882 8.398 -0.516 19487 105 1 1 . 1 1 26 26 ASP N N 26 126.595 126.595 124.510 2.085 19487 106 1 1 . 1 1 26 26 ASP HA H 26 4.951 4.951 4.992 -0.041 19487 107 1 1 . 1 1 26 26 ASP CA C 26 55.811 55.811 53.115 2.696 19487 108 1 1 . 1 1 26 26 ASP CB C 26 43.672 43.672 41.106 2.566 19487 109 1 1 . 1 1 26 26 ASP H H 26 9.402 9.402 9.018 0.384 19487 110 1 1 . 1 1 27 27 PRO HA H 27 4.398 4.398 4.226 0.172 19487 111 1 1 . 1 1 27 27 PRO C C 27 177.645 177.645 176.458 1.187 19487 112 1 1 . 1 1 27 27 PRO CA C 27 68.772 68.772 64.666 4.106 19487 113 1 1 . 1 1 27 27 PRO CB C 27 35.111 35.111 31.935 3.176 19487 114 1 1 . 1 1 28 28 GLU N N 28 115.064 115.064 118.444 -3.380 19487 115 1 1 . 1 1 28 28 GLU HA H 28 4.434 4.434 4.466 -0.032 19487 116 1 1 . 1 1 28 28 GLU C C 28 176.259 176.259 177.061 -0.802 19487 117 1 1 . 1 1 28 28 GLU CA C 28 58.837 58.837 55.652 3.185 19487 118 1 1 . 1 1 28 28 GLU CB C 28 33.536 33.536 28.305 5.231 19487 119 1 1 . 1 1 28 28 GLU H H 28 7.970 7.970 8.032 -0.062 19487 120 1 1 . 1 1 29 29 GLY N N 29 107.797 107.797 107.506 0.291 19487 121 1 1 . 1 1 29 29 GLY C C 29 175.283 175.283 173.664 1.619 19487 122 1 1 . 1 1 29 29 GLY CA C 29 48.501 48.501 45.796 2.705 19487 123 1 1 . 1 1 29 29 GLY H H 29 8.445 8.445 7.875 0.570 19487 124 1 1 . 1 1 30 30 LYS N N 30 124.471 124.471 119.586 4.885 19487 125 1 1 . 1 1 30 30 LYS C C 30 176.712 176.712 174.811 1.901 19487 126 1 1 . 1 1 30 30 LYS CA C 30 60.736 60.736 55.086 5.651 19487 127 1 1 . 1 1 30 30 LYS CB C 30 35.661 35.661 34.013 1.648 19487 128 1 1 . 1 1 30 30 LYS H H 30 9.011 9.011 7.624 1.387 19487 129 1 1 . 1 1 31 31 ILE N N 31 125.370 125.370 125.905 -0.535 19487 130 1 1 . 1 1 31 31 ILE HA H 31 4.790 4.790 4.602 0.188 19487 131 1 1 . 1 1 31 31 ILE C C 31 174.765 174.765 174.376 0.389 19487 132 1 1 . 1 1 31 31 ILE CA C 31 64.312 64.312 58.963 5.349 19487 133 1 1 . 1 1 31 31 ILE CB C 31 42.514 42.514 40.893 1.621 19487 134 1 1 . 1 1 31 31 ILE H H 31 8.425 8.425 8.561 -0.136 19487 135 1 1 . 1 1 32 32 TYR N N 32 121.507 121.507 123.845 -2.338 19487 136 1 1 . 1 1 32 32 TYR HA H 32 4.910 4.910 4.500 0.410 19487 137 1 1 . 1 1 32 32 TYR C C 32 170.944 170.944 172.703 -1.759 19487 138 1 1 . 1 1 32 32 TYR CA C 32 58.548 58.548 55.307 3.241 19487 139 1 1 . 1 1 32 32 TYR CB C 32 42.647 42.647 40.305 2.342 19487 140 1 1 . 1 1 32 32 TYR H H 32 8.673 8.673 8.822 -0.149 19487 141 1 1 . 1 1 33 33 TYR N N 33 116.433 116.433 116.017 0.416 19487 142 1 1 . 1 1 33 33 TYR HA H 33 5.415 5.415 5.521 -0.106 19487 143 1 1 . 1 1 33 33 TYR C C 33 175.515 175.515 175.215 0.300 19487 144 1 1 . 1 1 33 33 TYR CA C 33 59.550 59.550 55.740 3.810 19487 145 1 1 . 1 1 33 33 TYR CB C 33 45.035 45.035 41.744 3.291 19487 146 1 1 . 1 1 33 33 TYR H H 33 8.700 8.700 8.788 -0.088 19487 147 1 1 . 1 1 34 34 TYR N N 34 117.980 117.980 115.996 1.984 19487 148 1 1 . 1 1 34 34 TYR HA H 34 6.018 6.018 5.479 0.539 19487 149 1 1 . 1 1 34 34 TYR C C 34 171.057 171.057 174.570 -3.513 19487 150 1 1 . 1 1 34 34 TYR CA C 34 58.465 58.465 55.658 2.807 19487 151 1 1 . 1 1 34 34 TYR CB C 34 46.750 46.750 40.816 5.934 19487 152 1 1 . 1 1 34 34 TYR H H 34 9.324 9.324 9.289 0.035 19487 153 1 1 . 1 1 35 35 HIS N N 35 124.333 124.333 122.488 1.845 19487 154 1 1 . 1 1 35 35 HIS HA H 35 3.878 3.878 5.027 -1.149 19487 155 1 1 . 1 1 35 35 HIS C C 35 178.739 178.739 176.015 2.724 19487 156 1 1 . 1 1 35 35 HIS CA C 35 57.747 57.747 55.099 2.648 19487 157 1 1 . 1 1 35 35 HIS CB C 35 35.302 35.302 31.350 3.952 19487 158 1 1 . 1 1 35 35 HIS H H 35 7.704 7.704 9.262 -1.558 19487 159 1 1 . 1 1 36 36 VAL N N 36 123.002 123.002 124.470 -1.468 19487 160 1 1 . 1 1 36 36 VAL HA H 36 3.753 3.753 4.065 -0.312 19487 161 1 1 . 1 1 36 36 VAL C C 36 176.638 176.638 176.794 -0.156 19487 162 1 1 . 1 1 36 36 VAL CA C 36 67.697 67.697 65.098 2.599 19487 163 1 1 . 1 1 36 36 VAL CB C 36 35.060 35.060 31.420 3.640 19487 164 1 1 . 1 1 36 36 VAL H H 36 8.559 8.559 8.773 -0.214 19487 165 1 1 . 1 1 37 37 ILE N N 37 120.608 120.608 121.750 -1.142 19487 166 1 1 . 1 1 37 37 ILE HA H 37 4.194 4.194 3.920 0.274 19487 167 1 1 . 1 1 37 37 ILE C C 37 178.269 178.269 177.906 0.363 19487 168 1 1 . 1 1 37 37 ILE CA C 37 65.546 65.546 64.477 1.069 19487 169 1 1 . 1 1 37 37 ILE CB C 37 41.259 41.259 37.635 3.624 19487 170 1 1 . 1 1 37 37 ILE H H 37 8.904 8.904 7.917 0.987 19487 171 1 1 . 1 1 38 38 THR N N 38 112.000 112.000 110.676 1.324 19487 172 1 1 . 1 1 38 38 THR HA H 38 4.014 4.014 4.254 -0.240 19487 173 1 1 . 1 1 38 38 THR C C 38 176.608 176.608 174.839 1.769 19487 174 1 1 . 1 1 38 38 THR CA C 38 66.181 66.181 63.023 3.158 19487 175 1 1 . 1 1 38 38 THR CB C 38 72.340 72.340 69.249 3.091 19487 176 1 1 . 1 1 38 38 THR H H 38 8.942 8.942 8.156 0.786 19487 177 1 1 . 1 1 39 39 ARG N N 39 113.683 113.683 117.836 -4.153 19487 178 1 1 . 1 1 39 39 ARG HA H 39 4.019 4.019 4.144 -0.125 19487 179 1 1 . 1 1 39 39 ARG C C 39 174.659 174.659 174.894 -0.235 19487 180 1 1 . 1 1 39 39 ARG CA C 39 59.924 59.924 57.254 2.670 19487 181 1 1 . 1 1 39 39 ARG CB C 39 28.994 28.994 27.259 1.735 19487 182 1 1 . 1 1 39 39 ARG H H 39 8.111 8.111 8.248 -0.137 19487 183 1 1 . 1 1 40 40 GLN N N 40 118.822 118.822 116.422 2.400 19487 184 1 1 . 1 1 40 40 GLN HA H 40 4.335 4.335 4.612 -0.277 19487 185 1 1 . 1 1 40 40 GLN C C 40 174.969 174.969 174.054 0.915 19487 186 1 1 . 1 1 40 40 GLN CA C 40 59.216 59.216 53.857 5.359 19487 187 1 1 . 1 1 40 40 GLN CB C 40 32.661 32.661 33.276 -0.615 19487 188 1 1 . 1 1 40 40 GLN H H 40 7.740 7.740 7.710 0.030 19487 189 1 1 . 1 1 41 41 THR N N 41 110.403 110.403 114.121 -3.718 19487 190 1 1 . 1 1 41 41 THR HA H 41 5.868 5.868 4.985 0.883 19487 191 1 1 . 1 1 41 41 THR C C 41 174.918 174.918 172.816 2.102 19487 192 1 1 . 1 1 41 41 THR CA C 41 62.191 62.191 61.043 1.148 19487 193 1 1 . 1 1 41 41 THR CB C 41 76.145 76.145 70.420 5.725 19487 194 1 1 . 1 1 41 41 THR H H 41 8.192 8.192 8.338 -0.146 19487 195 1 1 . 1 1 42 42 GLN N N 42 113.850 113.850 126.175 -12.325 19487 196 1 1 . 1 1 42 42 GLN HA H 42 4.785 4.785 4.504 0.281 19487 197 1 1 . 1 1 42 42 GLN C C 42 174.918 174.918 175.513 -0.595 19487 198 1 1 . 1 1 42 42 GLN CA C 42 58.285 58.285 54.397 3.888 19487 199 1 1 . 1 1 42 42 GLN CB C 42 35.073 35.073 32.741 2.332 19487 200 1 1 . 1 1 42 42 GLN H H 42 9.120 9.120 8.721 0.399 19487 201 1 1 . 1 1 43 43 TRP N N 43 120.166 120.166 125.363 -5.197 19487 202 1 1 . 1 1 43 43 TRP HA H 43 5.119 5.119 4.722 0.397 19487 203 1 1 . 1 1 43 43 TRP C C 43 176.115 176.115 176.888 -0.773 19487 204 1 1 . 1 1 43 43 TRP CA C 43 62.184 62.184 58.578 3.606 19487 205 1 1 . 1 1 43 43 TRP CB C 43 34.495 34.495 29.318 5.177 19487 206 1 1 . 1 1 43 43 TRP H H 43 9.019 9.019 7.922 1.097 19487 207 1 1 . 1 1 44 44 ASP N N 44 115.913 115.913 120.071 -4.158 19487 208 1 1 . 1 1 44 44 ASP HA H 44 5.113 5.113 4.855 0.258 19487 209 1 1 . 1 1 44 44 ASP CA C 44 54.787 54.787 54.157 0.630 19487 210 1 1 . 1 1 44 44 ASP CB C 44 43.540 43.540 40.187 3.353 19487 211 1 1 . 1 1 44 44 ASP H H 44 7.976 7.976 7.859 0.117 19487 212 1 1 . 1 1 46 46 PRO HA H 46 3.808 3.808 4.388 -0.580 19487 213 1 1 . 1 1 46 46 PRO C C 46 175.510 175.510 177.499 -1.989 19487 214 1 1 . 1 1 46 46 PRO CA C 46 64.219 64.219 62.881 1.338 19487 215 1 1 . 1 1 46 46 PRO CB C 46 33.572 33.572 32.128 1.444 19487 216 1 1 . 1 1 47 47 THR N N 47 112.072 112.072 111.707 0.365 19487 217 1 1 . 1 1 47 47 THR HA H 47 4.234 4.234 3.811 0.423 19487 218 1 1 . 1 1 47 47 THR C C 47 174.205 174.205 175.747 -1.542 19487 219 1 1 . 1 1 47 47 THR CA C 47 63.797 63.797 61.513 2.284 19487 220 1 1 . 1 1 47 47 THR CB C 47 73.250 73.250 69.326 3.924 19487 221 1 1 . 1 1 47 47 THR H H 47 7.690 7.690 8.224 -0.534 19487 222 1 1 . 1 1 48 48 TRP N N 48 123.257 123.257 121.661 1.596 19487 223 1 1 . 1 1 48 48 TRP HA H 48 4.404 4.404 4.227 0.177 19487 224 1 1 . 1 1 48 48 TRP C C 48 175.934 175.934 175.231 0.703 19487 225 1 1 . 1 1 48 48 TRP CA C 48 60.797 60.797 59.806 0.991 19487 226 1 1 . 1 1 48 48 TRP CB C 48 32.345 32.345 29.666 2.679 19487 227 1 1 . 1 1 48 48 TRP H H 48 8.480 8.480 8.201 0.279 19487 228 1 1 . 1 1 49 49 GLU N N 49 122.782 122.782 116.994 5.788 19487 229 1 1 . 1 1 49 49 GLU HA H 49 4.273 4.273 4.346 -0.073 19487 230 1 1 . 1 1 49 49 GLU C C 49 175.847 175.847 175.509 0.338 19487 231 1 1 . 1 1 49 49 GLU CA C 49 59.213 59.213 55.919 3.294 19487 232 1 1 . 1 1 49 49 GLU CB C 49 33.752 33.752 30.687 3.065 19487 233 1 1 . 1 1 49 49 GLU H H 49 8.296 8.296 7.771 0.525 19487 234 1 1 . 1 1 50 50 SER N N 50 118.313 118.313 121.097 -2.784 19487 235 1 1 . 1 1 50 50 SER HA H 50 4.613 4.613 4.829 -0.216 19487 236 1 1 . 1 1 50 50 SER CA C 50 47.633 47.633 56.241 -8.608 19487 237 1 1 . 1 1 50 50 SER CB C 50 66.397 66.397 65.004 1.393 19487 238 1 1 . 1 1 50 50 SER H H 50 8.344 8.344 7.952 0.392 19487 239 1 1 . 1 1 51 51 PRO HA H 51 4.400 4.400 4.393 0.007 19487 240 1 1 . 1 1 51 51 PRO C C 51 177.481 177.481 177.937 -0.456 19487 241 1 1 . 1 1 51 51 PRO CA C 51 66.571 66.571 62.691 3.880 19487 242 1 1 . 1 1 51 51 PRO CB C 51 35.162 35.162 32.476 2.686 19487 243 1 1 . 1 1 52 52 GLY N N 52 109.070 109.070 107.246 1.824 19487 244 1 1 . 1 1 52 52 GLY C C 52 173.969 173.969 175.054 -1.085 19487 245 1 1 . 1 1 52 52 GLY CA C 52 48.147 48.147 46.550 1.597 19487 246 1 1 . 1 1 52 52 GLY H H 52 8.345 8.345 8.514 -0.169 19487 247 1 1 . 1 1 53 53 ASP N N 53 120.558 120.558 119.657 0.901 19487 248 1 1 . 1 1 53 53 ASP HA H 53 4.589 4.589 4.478 0.111 19487 249 1 1 . 1 1 53 53 ASP C C 53 176.133 176.133 176.847 -0.714 19487 250 1 1 . 1 1 53 53 ASP CA C 53 57.417 57.417 56.401 1.016 19487 251 1 1 . 1 1 53 53 ASP CB C 53 44.256 44.256 40.555 3.701 19487 252 1 1 . 1 1 53 53 ASP H H 53 8.216 8.216 8.250 -0.034 19487 253 1 1 . 1 1 54 54 ASP N N 54 120.383 120.383 118.553 1.830 19487 254 1 1 . 1 1 54 54 ASP HA H 54 4.552 4.552 4.495 0.057 19487 255 1 1 . 1 1 54 54 ASP C C 54 175.904 175.904 176.027 -0.123 19487 256 1 1 . 1 1 54 54 ASP CA C 54 57.311 57.311 54.381 2.930 19487 257 1 1 . 1 1 54 54 ASP CB C 54 44.107 44.107 41.037 3.070 19487 258 1 1 . 1 1 54 54 ASP H H 54 8.338 8.338 7.985 0.353 19487 259 1 1 . 1 1 55 55 ALA N N 55 124.730 124.730 122.393 2.337 19487 260 1 1 . 1 1 55 55 ALA HA H 55 4.383 4.383 3.925 0.458 19487 261 1 1 . 1 1 55 55 ALA C C 55 176.939 176.939 176.799 0.140 19487 262 1 1 . 1 1 55 55 ALA CA C 55 55.436 55.436 52.678 2.758 19487 263 1 1 . 1 1 55 55 ALA CB C 55 22.413 22.413 17.268 5.145 19487 264 1 1 . 1 1 55 55 ALA H H 55 8.153 8.153 7.521 0.632 19487 265 1 2 . 1 1 2 2 SER N N 2 117.407 117.407 118.611 -1.204 19487 266 1 2 . 1 1 2 2 SER HA H 2 4.489 4.489 4.378 0.111 19487 267 1 2 . 1 1 2 2 SER C C 2 176.003 176.003 174.763 1.240 19487 268 1 2 . 1 1 2 2 SER CA C 2 61.265 61.265 60.646 0.619 19487 269 1 2 . 1 1 2 2 SER CB C 2 66.930 66.930 63.794 3.136 19487 270 1 2 . 1 1 2 2 SER H H 2 8.038 8.038 8.663 -0.625 19487 271 1 2 . 1 1 3 3 ASP N N 3 122.561 122.561 120.641 1.920 19487 272 1 2 . 1 1 3 3 ASP HA H 3 4.589 4.589 4.746 -0.157 19487 273 1 2 . 1 1 3 3 ASP C C 3 175.831 175.831 175.424 0.407 19487 274 1 2 . 1 1 3 3 ASP CA C 3 57.207 57.207 55.429 1.778 19487 275 1 2 . 1 1 3 3 ASP CB C 3 44.183 44.183 42.468 1.715 19487 276 1 2 . 1 1 3 3 ASP H H 3 8.506 8.506 8.287 0.219 19487 277 1 2 . 1 1 4 4 LEU N N 4 123.656 123.656 120.035 3.621 19487 278 1 2 . 1 1 4 4 LEU HA H 4 4.548 4.548 4.836 -0.288 19487 279 1 2 . 1 1 4 4 LEU CA C 4 56.089 56.089 51.731 4.358 19487 280 1 2 . 1 1 4 4 LEU H H 4 8.187 8.187 7.407 0.779 19487 281 1 2 . 1 1 7 7 PRO HA H 7 4.361 4.361 4.593 -0.232 19487 282 1 2 . 1 1 7 7 PRO C C 7 175.043 175.043 175.852 -0.809 19487 283 1 2 . 1 1 7 7 PRO CA C 7 64.870 64.870 62.257 2.613 19487 284 1 2 . 1 1 7 7 PRO CB C 7 35.143 35.143 32.885 2.258 19487 285 1 2 . 1 1 8 8 SER N N 8 116.762 116.762 116.120 0.642 19487 286 1 2 . 1 1 8 8 SER HA H 8 3.925 3.925 4.741 -0.816 19487 287 1 2 . 1 1 8 8 SER CA C 8 60.475 60.475 55.299 5.176 19487 288 1 2 . 1 1 8 8 SER CB C 8 65.096 65.096 63.639 1.456 19487 289 1 2 . 1 1 8 8 SER H H 8 8.302 8.302 8.293 0.009 19487 290 1 2 . 1 1 11 11 ALA HA H 11 4.218 4.218 4.107 0.111 19487 291 1 2 . 1 1 11 11 ALA C C 11 178.565 178.565 179.249 -0.684 19487 292 1 2 . 1 1 11 11 ALA CA C 11 55.637 55.637 54.480 1.157 19487 293 1 2 . 1 1 11 11 ALA CB C 11 21.863 21.863 18.454 3.409 19487 294 1 2 . 1 1 12 12 ALA N N 12 125.155 125.155 120.637 4.518 19487 295 1 2 . 1 1 12 12 ALA HA H 12 4.247 4.247 4.161 0.086 19487 296 1 2 . 1 1 12 12 ALA C C 12 177.718 177.718 179.293 -1.575 19487 297 1 2 . 1 1 12 12 ALA CA C 12 56.529 56.529 53.979 2.550 19487 298 1 2 . 1 1 12 12 ALA CB C 12 22.033 22.033 18.053 3.980 19487 299 1 2 . 1 1 12 12 ALA H H 12 8.596 8.596 8.541 0.055 19487 300 1 2 . 1 1 13 13 ALA N N 13 122.474 122.474 120.779 1.695 19487 301 1 2 . 1 1 13 13 ALA HA H 13 4.387 4.387 3.949 0.438 19487 302 1 2 . 1 1 13 13 ALA C C 13 177.521 177.521 178.412 -0.891 19487 303 1 2 . 1 1 13 13 ALA CA C 13 55.079 55.079 54.656 0.423 19487 304 1 2 . 1 1 13 13 ALA CB C 13 22.732 22.732 18.295 4.437 19487 305 1 2 . 1 1 13 13 ALA H H 13 8.117 8.117 7.506 0.611 19487 306 1 2 . 1 1 14 14 THR N N 14 114.271 114.271 112.106 2.165 19487 307 1 2 . 1 1 14 14 THR HA H 14 4.196 4.196 4.236 -0.040 19487 308 1 2 . 1 1 14 14 THR C C 14 174.319 174.319 175.246 -0.927 19487 309 1 2 . 1 1 14 14 THR CA C 14 65.631 65.631 64.288 1.343 19487 310 1 2 . 1 1 14 14 THR CB C 14 72.638 72.638 69.046 3.592 19487 311 1 2 . 1 1 14 14 THR H H 14 8.202 8.202 7.344 0.858 19487 312 1 2 . 1 1 15 15 ILE N N 15 125.881 125.881 120.315 5.566 19487 313 1 2 . 1 1 15 15 ILE HA H 15 4.139 4.139 3.980 0.159 19487 314 1 2 . 1 1 15 15 ILE C C 15 175.396 175.396 175.858 -0.462 19487 315 1 2 . 1 1 15 15 ILE CA C 15 64.025 64.025 61.451 2.574 19487 316 1 2 . 1 1 15 15 ILE CB C 15 41.834 41.834 38.968 2.866 19487 317 1 2 . 1 1 15 15 ILE H H 15 8.149 8.149 7.671 0.478 19487 318 1 2 . 1 1 16 16 VAL N N 16 128.849 128.849 119.805 9.044 19487 319 1 2 . 1 1 16 16 VAL HA H 16 4.104 4.104 4.070 0.034 19487 320 1 2 . 1 1 16 16 VAL C C 16 175.476 175.476 174.955 0.521 19487 321 1 2 . 1 1 16 16 VAL CA C 16 65.134 65.134 63.884 1.250 19487 322 1 2 . 1 1 16 16 VAL CB C 16 35.473 35.473 31.775 3.698 19487 323 1 2 . 1 1 16 16 VAL H H 16 8.453 8.453 7.986 0.467 19487 324 1 2 . 1 1 17 17 LEU N N 17 128.264 128.264 125.807 2.457 19487 325 1 2 . 1 1 17 17 LEU HA H 17 4.587 4.587 4.888 -0.301 19487 326 1 2 . 1 1 17 17 LEU CA C 17 55.193 55.193 50.936 4.257 19487 327 1 2 . 1 1 17 17 LEU CB C 17 45.309 45.309 45.516 -0.207 19487 328 1 2 . 1 1 17 17 LEU H H 17 8.538 8.538 8.368 0.170 19487 329 1 2 . 1 1 19 19 PRO HA H 19 4.200 4.200 4.227 -0.027 19487 330 1 2 . 1 1 19 19 PRO C C 19 176.905 176.905 177.503 -0.598 19487 331 1 2 . 1 1 19 19 PRO CA C 19 66.913 66.913 64.295 2.618 19487 332 1 2 . 1 1 19 19 PRO CB C 19 35.066 35.066 31.828 3.239 19487 333 1 2 . 1 1 20 20 ASN N N 20 111.422 111.422 113.673 -2.251 19487 334 1 2 . 1 1 20 20 ASN HA H 20 3.984 3.984 4.613 -0.629 19487 335 1 2 . 1 1 20 20 ASN C C 20 172.258 172.258 175.523 -3.265 19487 336 1 2 . 1 1 20 20 ASN CA C 20 58.148 58.148 53.937 4.211 19487 337 1 2 . 1 1 20 20 ASN CB C 20 39.841 39.841 37.791 2.050 19487 338 1 2 . 1 1 20 20 ASN H H 20 8.543 8.543 8.361 0.182 19487 339 1 2 . 1 1 21 21 TRP N N 21 117.593 117.593 119.364 -1.771 19487 340 1 2 . 1 1 21 21 TRP HA H 21 5.082 5.082 4.574 0.508 19487 341 1 2 . 1 1 21 21 TRP C C 21 175.610 175.610 175.598 0.012 19487 342 1 2 . 1 1 21 21 TRP CA C 21 60.096 60.096 55.309 4.787 19487 343 1 2 . 1 1 21 21 TRP CB C 21 34.695 34.695 29.267 5.428 19487 344 1 2 . 1 1 21 21 TRP H H 21 7.400 7.400 7.863 -0.463 19487 345 1 2 . 1 1 22 22 LYS N N 22 121.362 121.362 120.210 1.152 19487 346 1 2 . 1 1 22 22 LYS HA H 22 4.532 4.532 4.445 0.087 19487 347 1 2 . 1 1 22 22 LYS C C 22 174.616 174.616 175.094 -0.478 19487 348 1 2 . 1 1 22 22 LYS CA C 22 57.332 57.332 52.849 4.482 19487 349 1 2 . 1 1 22 22 LYS CB C 22 40.444 40.444 36.161 4.283 19487 350 1 2 . 1 1 22 22 LYS H H 22 9.007 9.007 8.133 0.874 19487 351 1 2 . 1 1 23 23 THR N N 23 108.761 108.761 111.313 -2.552 19487 352 1 2 . 1 1 23 23 THR HA H 23 4.986 4.986 4.891 0.095 19487 353 1 2 . 1 1 23 23 THR C C 23 173.623 173.623 173.384 0.239 19487 354 1 2 . 1 1 23 23 THR CA C 23 62.791 62.791 59.955 2.836 19487 355 1 2 . 1 1 23 23 THR CB C 23 74.679 74.679 70.547 4.132 19487 356 1 2 . 1 1 23 23 THR H H 23 7.757 7.757 8.151 -0.394 19487 357 1 2 . 1 1 24 24 ALA N N 24 124.455 124.455 125.551 -1.096 19487 358 1 2 . 1 1 24 24 ALA HA H 24 4.332 4.332 4.750 -0.418 19487 359 1 2 . 1 1 24 24 ALA C C 24 173.702 173.702 175.019 -1.317 19487 360 1 2 . 1 1 24 24 ALA CA C 24 53.620 53.620 51.790 1.830 19487 361 1 2 . 1 1 24 24 ALA CB C 24 24.927 24.927 22.020 2.908 19487 362 1 2 . 1 1 24 24 ALA H H 24 8.352 8.352 8.615 -0.263 19487 363 1 2 . 1 1 25 25 ARG N N 25 115.144 115.144 118.600 -3.456 19487 364 1 2 . 1 1 25 25 ARG HA H 25 5.339 5.339 5.298 0.041 19487 365 1 2 . 1 1 25 25 ARG C C 25 176.810 176.810 175.180 1.630 19487 366 1 2 . 1 1 25 25 ARG CA C 25 56.600 56.600 55.058 1.542 19487 367 1 2 . 1 1 25 25 ARG CB C 25 36.731 36.731 33.376 3.355 19487 368 1 2 . 1 1 25 25 ARG H H 25 7.882 7.882 8.580 -0.698 19487 369 1 2 . 1 1 26 26 ASP N N 26 126.595 126.595 122.236 4.359 19487 370 1 2 . 1 1 26 26 ASP HA H 26 4.951 4.951 5.029 -0.078 19487 371 1 2 . 1 1 26 26 ASP CA C 26 55.811 55.811 52.378 3.433 19487 372 1 2 . 1 1 26 26 ASP CB C 26 43.672 43.672 41.364 2.308 19487 373 1 2 . 1 1 26 26 ASP H H 26 9.402 9.402 8.837 0.565 19487 374 1 2 . 1 1 27 27 PRO HA H 27 4.398 4.398 4.189 0.209 19487 375 1 2 . 1 1 27 27 PRO C C 27 177.645 177.645 177.322 0.323 19487 376 1 2 . 1 1 27 27 PRO CA C 27 68.772 68.772 64.993 3.779 19487 377 1 2 . 1 1 27 27 PRO CB C 27 35.111 35.111 31.739 3.372 19487 378 1 2 . 1 1 28 28 GLU N N 28 115.064 115.064 118.422 -3.358 19487 379 1 2 . 1 1 28 28 GLU HA H 28 4.434 4.434 4.333 0.101 19487 380 1 2 . 1 1 28 28 GLU C C 28 176.259 176.259 176.257 0.002 19487 381 1 2 . 1 1 28 28 GLU CA C 28 58.837 58.837 55.440 3.397 19487 382 1 2 . 1 1 28 28 GLU CB C 28 33.536 33.536 27.410 6.126 19487 383 1 2 . 1 1 28 28 GLU H H 28 7.970 7.970 8.314 -0.344 19487 384 1 2 . 1 1 29 29 GLY N N 29 107.797 107.797 107.711 0.086 19487 385 1 2 . 1 1 29 29 GLY C C 29 175.283 175.283 175.038 0.245 19487 386 1 2 . 1 1 29 29 GLY CA C 29 48.501 48.501 45.959 2.542 19487 387 1 2 . 1 1 29 29 GLY H H 29 8.445 8.445 7.819 0.626 19487 388 1 2 . 1 1 30 30 LYS N N 30 124.471 124.471 120.289 4.182 19487 389 1 2 . 1 1 30 30 LYS C C 30 176.712 176.712 174.986 1.726 19487 390 1 2 . 1 1 30 30 LYS CA C 30 60.736 60.736 55.122 5.614 19487 391 1 2 . 1 1 30 30 LYS CB C 30 35.661 35.661 34.560 1.101 19487 392 1 2 . 1 1 30 30 LYS H H 30 9.011 9.011 7.612 1.399 19487 393 1 2 . 1 1 31 31 ILE N N 31 125.370 125.370 124.550 0.820 19487 394 1 2 . 1 1 31 31 ILE HA H 31 4.790 4.790 4.588 0.202 19487 395 1 2 . 1 1 31 31 ILE C C 31 174.765 174.765 174.198 0.567 19487 396 1 2 . 1 1 31 31 ILE CA C 31 64.312 64.312 60.574 3.738 19487 397 1 2 . 1 1 31 31 ILE CB C 31 42.514 42.514 40.129 2.385 19487 398 1 2 . 1 1 31 31 ILE H H 31 8.425 8.425 8.560 -0.135 19487 399 1 2 . 1 1 32 32 TYR N N 32 121.507 121.507 124.708 -3.201 19487 400 1 2 . 1 1 32 32 TYR HA H 32 4.910 4.910 4.901 0.009 19487 401 1 2 . 1 1 32 32 TYR C C 32 170.944 170.944 174.393 -3.449 19487 402 1 2 . 1 1 32 32 TYR CA C 32 58.548 58.548 56.563 1.985 19487 403 1 2 . 1 1 32 32 TYR CB C 32 42.647 42.647 42.778 -0.131 19487 404 1 2 . 1 1 32 32 TYR H H 32 8.673 8.673 9.276 -0.603 19487 405 1 2 . 1 1 33 33 TYR N N 33 116.433 116.433 116.816 -0.383 19487 406 1 2 . 1 1 33 33 TYR HA H 33 5.415 5.415 5.198 0.217 19487 407 1 2 . 1 1 33 33 TYR C C 33 175.515 175.515 174.797 0.718 19487 408 1 2 . 1 1 33 33 TYR CA C 33 59.550 59.550 56.522 3.028 19487 409 1 2 . 1 1 33 33 TYR CB C 33 45.035 45.035 42.341 2.694 19487 410 1 2 . 1 1 33 33 TYR H H 33 8.700 8.700 8.653 0.047 19487 411 1 2 . 1 1 34 34 TYR N N 34 117.980 117.980 117.869 0.111 19487 412 1 2 . 1 1 34 34 TYR HA H 34 6.018 6.018 5.760 0.258 19487 413 1 2 . 1 1 34 34 TYR C C 34 171.057 171.057 174.362 -3.305 19487 414 1 2 . 1 1 34 34 TYR CA C 34 58.465 58.465 55.698 2.767 19487 415 1 2 . 1 1 34 34 TYR CB C 34 46.750 46.750 40.996 5.754 19487 416 1 2 . 1 1 34 34 TYR H H 34 9.324 9.324 8.997 0.327 19487 417 1 2 . 1 1 35 35 HIS N N 35 124.333 124.333 122.708 1.625 19487 418 1 2 . 1 1 35 35 HIS HA H 35 3.878 3.878 5.101 -1.223 19487 419 1 2 . 1 1 35 35 HIS C C 35 178.739 178.739 176.460 2.279 19487 420 1 2 . 1 1 35 35 HIS CA C 35 57.747 57.747 55.309 2.438 19487 421 1 2 . 1 1 35 35 HIS CB C 35 35.302 35.302 30.626 4.676 19487 422 1 2 . 1 1 35 35 HIS H H 35 7.704 7.704 9.558 -1.854 19487 423 1 2 . 1 1 36 36 VAL N N 36 123.002 123.002 124.629 -1.627 19487 424 1 2 . 1 1 36 36 VAL HA H 36 3.753 3.753 3.983 -0.230 19487 425 1 2 . 1 1 36 36 VAL C C 36 176.638 176.638 177.372 -0.734 19487 426 1 2 . 1 1 36 36 VAL CA C 36 67.697 67.697 65.555 2.142 19487 427 1 2 . 1 1 36 36 VAL CB C 36 35.060 35.060 31.614 3.446 19487 428 1 2 . 1 1 36 36 VAL H H 36 8.559 8.559 8.603 -0.044 19487 429 1 2 . 1 1 37 37 ILE N N 37 120.608 120.608 121.283 -0.675 19487 430 1 2 . 1 1 37 37 ILE HA H 37 4.194 4.194 3.910 0.284 19487 431 1 2 . 1 1 37 37 ILE C C 37 178.269 178.269 177.283 0.986 19487 432 1 2 . 1 1 37 37 ILE CA C 37 65.546 65.546 64.716 0.830 19487 433 1 2 . 1 1 37 37 ILE CB C 37 41.259 41.259 37.414 3.845 19487 434 1 2 . 1 1 37 37 ILE H H 37 8.904 8.904 8.502 0.402 19487 435 1 2 . 1 1 38 38 THR N N 38 112.000 112.000 110.282 1.718 19487 436 1 2 . 1 1 38 38 THR HA H 38 4.014 4.014 4.249 -0.235 19487 437 1 2 . 1 1 38 38 THR C C 38 176.608 176.608 174.801 1.807 19487 438 1 2 . 1 1 38 38 THR CA C 38 66.181 66.181 62.483 3.698 19487 439 1 2 . 1 1 38 38 THR CB C 38 72.340 72.340 69.479 2.861 19487 440 1 2 . 1 1 38 38 THR H H 38 8.942 8.942 7.816 1.126 19487 441 1 2 . 1 1 39 39 ARG N N 39 113.683 113.683 118.466 -4.783 19487 442 1 2 . 1 1 39 39 ARG HA H 39 4.019 4.019 4.180 -0.161 19487 443 1 2 . 1 1 39 39 ARG C C 39 174.659 174.659 174.935 -0.276 19487 444 1 2 . 1 1 39 39 ARG CA C 39 59.924 59.924 57.278 2.646 19487 445 1 2 . 1 1 39 39 ARG CB C 39 28.994 28.994 27.412 1.582 19487 446 1 2 . 1 1 39 39 ARG H H 39 8.111 8.111 8.119 -0.008 19487 447 1 2 . 1 1 40 40 GLN N N 40 118.822 118.822 117.005 1.817 19487 448 1 2 . 1 1 40 40 GLN HA H 40 4.335 4.335 4.634 -0.299 19487 449 1 2 . 1 1 40 40 GLN C C 40 174.969 174.969 174.358 0.611 19487 450 1 2 . 1 1 40 40 GLN CA C 40 59.216 59.216 53.925 5.291 19487 451 1 2 . 1 1 40 40 GLN CB C 40 32.661 32.661 33.293 -0.632 19487 452 1 2 . 1 1 40 40 GLN H H 40 7.740 7.740 7.805 -0.065 19487 453 1 2 . 1 1 41 41 THR N N 41 110.403 110.403 114.313 -3.910 19487 454 1 2 . 1 1 41 41 THR HA H 41 5.868 5.868 5.207 0.661 19487 455 1 2 . 1 1 41 41 THR C C 41 174.918 174.918 173.148 1.770 19487 456 1 2 . 1 1 41 41 THR CA C 41 62.191 62.191 61.041 1.150 19487 457 1 2 . 1 1 41 41 THR CB C 41 76.145 76.145 70.239 5.906 19487 458 1 2 . 1 1 41 41 THR H H 41 8.192 8.192 8.446 -0.254 19487 459 1 2 . 1 1 42 42 GLN N N 42 113.850 113.850 126.111 -12.261 19487 460 1 2 . 1 1 42 42 GLN HA H 42 4.785 4.785 4.936 -0.151 19487 461 1 2 . 1 1 42 42 GLN C C 42 174.918 174.918 174.445 0.473 19487 462 1 2 . 1 1 42 42 GLN CA C 42 58.285 58.285 54.533 3.752 19487 463 1 2 . 1 1 42 42 GLN CB C 42 35.073 35.073 30.829 4.244 19487 464 1 2 . 1 1 42 42 GLN H H 42 9.120 9.120 8.634 0.486 19487 465 1 2 . 1 1 43 43 TRP N N 43 120.166 120.166 127.517 -7.351 19487 466 1 2 . 1 1 43 43 TRP HA H 43 5.119 5.119 4.575 0.544 19487 467 1 2 . 1 1 43 43 TRP C C 43 176.115 176.115 175.751 0.364 19487 468 1 2 . 1 1 43 43 TRP CA C 43 62.184 62.184 60.514 1.670 19487 469 1 2 . 1 1 43 43 TRP CB C 43 34.495 34.495 29.988 4.507 19487 470 1 2 . 1 1 43 43 TRP H H 43 9.019 9.019 8.914 0.105 19487 471 1 2 . 1 1 44 44 ASP N N 44 115.913 115.913 118.284 -2.371 19487 472 1 2 . 1 1 44 44 ASP HA H 44 5.113 5.113 4.479 0.634 19487 473 1 2 . 1 1 44 44 ASP CA C 44 54.787 54.787 53.713 1.074 19487 474 1 2 . 1 1 44 44 ASP CB C 44 43.540 43.540 40.013 3.527 19487 475 1 2 . 1 1 44 44 ASP H H 44 7.976 7.976 8.472 -0.496 19487 476 1 2 . 1 1 46 46 PRO HA H 46 3.808 3.808 4.330 -0.522 19487 477 1 2 . 1 1 46 46 PRO C C 46 175.510 175.510 176.635 -1.125 19487 478 1 2 . 1 1 46 46 PRO CA C 46 64.219 64.219 62.901 1.318 19487 479 1 2 . 1 1 46 46 PRO CB C 46 33.572 33.572 32.501 1.071 19487 480 1 2 . 1 1 47 47 THR N N 47 112.072 112.072 114.689 -2.617 19487 481 1 2 . 1 1 47 47 THR HA H 47 4.234 4.234 4.371 -0.137 19487 482 1 2 . 1 1 47 47 THR C C 47 174.205 174.205 175.835 -1.630 19487 483 1 2 . 1 1 47 47 THR CA C 47 63.797 63.797 60.180 3.617 19487 484 1 2 . 1 1 47 47 THR CB C 47 73.250 73.250 69.722 3.527 19487 485 1 2 . 1 1 47 47 THR H H 47 7.690 7.690 8.265 -0.575 19487 486 1 2 . 1 1 48 48 TRP N N 48 123.257 123.257 121.884 1.373 19487 487 1 2 . 1 1 48 48 TRP HA H 48 4.404 4.404 4.347 0.057 19487 488 1 2 . 1 1 48 48 TRP C C 48 175.934 175.934 175.845 0.089 19487 489 1 2 . 1 1 48 48 TRP CA C 48 60.797 60.797 59.670 1.127 19487 490 1 2 . 1 1 48 48 TRP CB C 48 32.345 32.345 29.606 2.739 19487 491 1 2 . 1 1 48 48 TRP H H 48 8.480 8.480 8.234 0.246 19487 492 1 2 . 1 1 49 49 GLU N N 49 122.782 122.782 117.640 5.142 19487 493 1 2 . 1 1 49 49 GLU HA H 49 4.273 4.273 4.284 -0.011 19487 494 1 2 . 1 1 49 49 GLU C C 49 175.847 175.847 175.019 0.828 19487 495 1 2 . 1 1 49 49 GLU CA C 49 59.213 59.213 55.336 3.877 19487 496 1 2 . 1 1 49 49 GLU CB C 49 33.752 33.752 31.662 2.090 19487 497 1 2 . 1 1 49 49 GLU H H 49 8.296 8.296 7.845 0.451 19487 498 1 2 . 1 1 50 50 SER N N 50 118.313 118.313 117.360 0.953 19487 499 1 2 . 1 1 50 50 SER HA H 50 4.613 4.613 4.749 -0.136 19487 500 1 2 . 1 1 50 50 SER CA C 50 47.633 47.633 53.999 -6.366 19487 501 1 2 . 1 1 50 50 SER CB C 50 66.397 66.397 64.051 2.346 19487 502 1 2 . 1 1 50 50 SER H H 50 8.344 8.344 8.226 0.118 19487 503 1 2 . 1 1 51 51 PRO HA H 51 4.400 4.400 4.524 -0.124 19487 504 1 2 . 1 1 51 51 PRO C C 51 177.481 177.481 177.717 -0.236 19487 505 1 2 . 1 1 51 51 PRO CA C 51 66.571 66.571 62.392 4.179 19487 506 1 2 . 1 1 51 51 PRO CB C 51 35.162 35.162 32.603 2.559 19487 507 1 2 . 1 1 52 52 GLY N N 52 109.070 109.070 107.360 1.710 19487 508 1 2 . 1 1 52 52 GLY C C 52 173.969 173.969 175.261 -1.292 19487 509 1 2 . 1 1 52 52 GLY CA C 52 48.147 48.147 46.215 1.932 19487 510 1 2 . 1 1 52 52 GLY H H 52 8.345 8.345 8.596 -0.251 19487 511 1 2 . 1 1 53 53 ASP N N 53 120.558 120.558 120.170 0.388 19487 512 1 2 . 1 1 53 53 ASP HA H 53 4.589 4.589 4.475 0.114 19487 513 1 2 . 1 1 53 53 ASP C C 53 176.133 176.133 177.053 -0.920 19487 514 1 2 . 1 1 53 53 ASP CA C 53 57.417 57.417 55.750 1.667 19487 515 1 2 . 1 1 53 53 ASP CB C 53 44.256 44.256 40.996 3.260 19487 516 1 2 . 1 1 53 53 ASP H H 53 8.216 8.216 8.328 -0.112 19487 517 1 2 . 1 1 54 54 ASP N N 54 120.383 120.383 118.467 1.916 19487 518 1 2 . 1 1 54 54 ASP HA H 54 4.552 4.552 4.544 0.008 19487 519 1 2 . 1 1 54 54 ASP C C 54 175.904 175.904 176.057 -0.153 19487 520 1 2 . 1 1 54 54 ASP CA C 54 57.311 57.311 53.990 3.321 19487 521 1 2 . 1 1 54 54 ASP CB C 54 44.107 44.107 41.671 2.436 19487 522 1 2 . 1 1 54 54 ASP H H 54 8.338 8.338 7.412 0.926 19487 523 1 2 . 1 1 55 55 ALA N N 55 124.730 124.730 122.444 2.286 19487 524 1 2 . 1 1 55 55 ALA HA H 55 4.383 4.383 3.968 0.415 19487 525 1 2 . 1 1 55 55 ALA C C 55 176.939 176.939 176.717 0.222 19487 526 1 2 . 1 1 55 55 ALA CA C 55 55.436 55.436 52.955 2.481 19487 527 1 2 . 1 1 55 55 ALA CB C 55 22.413 22.413 16.804 5.609 19487 528 1 2 . 1 1 55 55 ALA H H 55 8.153 8.153 8.218 -0.065 19487 529 1 3 . 1 1 2 2 SER N N 2 117.407 117.407 117.647 -0.240 19487 530 1 3 . 1 1 2 2 SER HA H 2 4.489 4.489 4.433 0.056 19487 531 1 3 . 1 1 2 2 SER C C 2 176.003 176.003 175.405 0.598 19487 532 1 3 . 1 1 2 2 SER CA C 2 61.265 61.265 60.445 0.820 19487 533 1 3 . 1 1 2 2 SER CB C 2 66.930 66.930 64.022 2.908 19487 534 1 3 . 1 1 2 2 SER H H 2 8.038 8.038 8.678 -0.640 19487 535 1 3 . 1 1 3 3 ASP N N 3 122.561 122.561 120.552 2.009 19487 536 1 3 . 1 1 3 3 ASP HA H 3 4.589 4.589 4.762 -0.173 19487 537 1 3 . 1 1 3 3 ASP C C 3 175.831 175.831 175.750 0.081 19487 538 1 3 . 1 1 3 3 ASP CA C 3 57.207 57.207 56.028 1.179 19487 539 1 3 . 1 1 3 3 ASP CB C 3 44.183 44.183 41.892 2.291 19487 540 1 3 . 1 1 3 3 ASP H H 3 8.506 8.506 8.416 0.090 19487 541 1 3 . 1 1 4 4 LEU N N 4 123.656 123.656 119.681 3.975 19487 542 1 3 . 1 1 4 4 LEU HA H 4 4.548 4.548 4.860 -0.312 19487 543 1 3 . 1 1 4 4 LEU CA C 4 56.089 56.089 51.932 4.157 19487 544 1 3 . 1 1 4 4 LEU H H 4 8.187 8.187 7.564 0.623 19487 545 1 3 . 1 1 7 7 PRO HA H 7 4.361 4.361 4.573 -0.212 19487 546 1 3 . 1 1 7 7 PRO C C 7 175.043 175.043 175.661 -0.618 19487 547 1 3 . 1 1 7 7 PRO CA C 7 64.870 64.870 62.286 2.584 19487 548 1 3 . 1 1 7 7 PRO CB C 7 35.143 35.143 32.504 2.639 19487 549 1 3 . 1 1 8 8 SER N N 8 116.762 116.762 118.064 -1.302 19487 550 1 3 . 1 1 8 8 SER HA H 8 3.925 3.925 4.604 -0.679 19487 551 1 3 . 1 1 8 8 SER CA C 8 60.475 60.475 56.121 4.354 19487 552 1 3 . 1 1 8 8 SER CB C 8 65.096 65.096 63.038 2.058 19487 553 1 3 . 1 1 8 8 SER H H 8 8.302 8.302 8.210 0.092 19487 554 1 3 . 1 1 11 11 ALA HA H 11 4.218 4.218 4.104 0.114 19487 555 1 3 . 1 1 11 11 ALA C C 11 178.565 178.565 179.304 -0.739 19487 556 1 3 . 1 1 11 11 ALA CA C 11 55.637 55.637 54.472 1.165 19487 557 1 3 . 1 1 11 11 ALA CB C 11 21.863 21.863 18.461 3.402 19487 558 1 3 . 1 1 12 12 ALA N N 12 125.155 125.155 120.677 4.478 19487 559 1 3 . 1 1 12 12 ALA HA H 12 4.247 4.247 4.170 0.077 19487 560 1 3 . 1 1 12 12 ALA C C 12 177.718 177.718 179.418 -1.700 19487 561 1 3 . 1 1 12 12 ALA CA C 12 56.529 56.529 54.053 2.476 19487 562 1 3 . 1 1 12 12 ALA CB C 12 22.033 22.033 18.070 3.963 19487 563 1 3 . 1 1 12 12 ALA H H 12 8.596 8.596 8.576 0.020 19487 564 1 3 . 1 1 13 13 ALA N N 13 122.474 122.474 120.459 2.015 19487 565 1 3 . 1 1 13 13 ALA HA H 13 4.387 4.387 4.045 0.342 19487 566 1 3 . 1 1 13 13 ALA C C 13 177.521 177.521 178.615 -1.094 19487 567 1 3 . 1 1 13 13 ALA CA C 13 55.079 55.079 54.593 0.486 19487 568 1 3 . 1 1 13 13 ALA CB C 13 22.732 22.732 18.415 4.317 19487 569 1 3 . 1 1 13 13 ALA H H 13 8.117 8.117 7.421 0.696 19487 570 1 3 . 1 1 14 14 THR N N 14 114.271 114.271 111.204 3.067 19487 571 1 3 . 1 1 14 14 THR HA H 14 4.196 4.196 4.362 -0.166 19487 572 1 3 . 1 1 14 14 THR C C 14 174.319 174.319 175.449 -1.130 19487 573 1 3 . 1 1 14 14 THR CA C 14 65.631 65.631 63.874 1.757 19487 574 1 3 . 1 1 14 14 THR CB C 14 72.638 72.638 69.226 3.412 19487 575 1 3 . 1 1 14 14 THR H H 14 8.202 8.202 7.441 0.761 19487 576 1 3 . 1 1 15 15 ILE N N 15 125.881 125.881 120.887 4.994 19487 577 1 3 . 1 1 15 15 ILE HA H 15 4.139 4.139 3.928 0.211 19487 578 1 3 . 1 1 15 15 ILE C C 15 175.396 175.396 175.340 0.056 19487 579 1 3 . 1 1 15 15 ILE CA C 15 64.025 64.025 61.772 2.253 19487 580 1 3 . 1 1 15 15 ILE CB C 15 41.834 41.834 38.738 3.096 19487 581 1 3 . 1 1 15 15 ILE H H 15 8.149 8.149 7.537 0.612 19487 582 1 3 . 1 1 16 16 VAL N N 16 128.849 128.849 120.097 8.752 19487 583 1 3 . 1 1 16 16 VAL HA H 16 4.104 4.104 4.029 0.075 19487 584 1 3 . 1 1 16 16 VAL C C 16 175.476 175.476 175.167 0.309 19487 585 1 3 . 1 1 16 16 VAL CA C 16 65.134 65.134 63.554 1.580 19487 586 1 3 . 1 1 16 16 VAL CB C 16 35.473 35.473 31.739 3.734 19487 587 1 3 . 1 1 16 16 VAL H H 16 8.453 8.453 7.925 0.528 19487 588 1 3 . 1 1 17 17 LEU N N 17 128.264 128.264 126.111 2.153 19487 589 1 3 . 1 1 17 17 LEU HA H 17 4.587 4.587 4.683 -0.096 19487 590 1 3 . 1 1 17 17 LEU CA C 17 55.193 55.193 51.514 3.679 19487 591 1 3 . 1 1 17 17 LEU CB C 17 45.309 45.309 44.320 0.989 19487 592 1 3 . 1 1 17 17 LEU H H 17 8.538 8.538 8.390 0.148 19487 593 1 3 . 1 1 19 19 PRO HA H 19 4.200 4.200 4.807 -0.607 19487 594 1 3 . 1 1 19 19 PRO C C 19 176.905 176.905 177.009 -0.104 19487 595 1 3 . 1 1 19 19 PRO CA C 19 66.913 66.913 64.320 2.593 19487 596 1 3 . 1 1 19 19 PRO CB C 19 35.066 35.066 31.925 3.141 19487 597 1 3 . 1 1 20 20 ASN N N 20 111.422 111.422 114.699 -3.277 19487 598 1 3 . 1 1 20 20 ASN HA H 20 3.984 3.984 4.523 -0.539 19487 599 1 3 . 1 1 20 20 ASN C C 20 172.258 172.258 175.843 -3.585 19487 600 1 3 . 1 1 20 20 ASN CA C 20 58.148 58.148 54.106 4.042 19487 601 1 3 . 1 1 20 20 ASN CB C 20 39.841 39.841 37.952 1.889 19487 602 1 3 . 1 1 20 20 ASN H H 20 8.543 8.543 8.374 0.169 19487 603 1 3 . 1 1 21 21 TRP N N 21 117.593 117.593 119.234 -1.641 19487 604 1 3 . 1 1 21 21 TRP HA H 21 5.082 5.082 4.710 0.372 19487 605 1 3 . 1 1 21 21 TRP C C 21 175.610 175.610 175.671 -0.061 19487 606 1 3 . 1 1 21 21 TRP CA C 21 60.096 60.096 56.095 4.001 19487 607 1 3 . 1 1 21 21 TRP CB C 21 34.695 34.695 29.945 4.750 19487 608 1 3 . 1 1 21 21 TRP H H 21 7.400 7.400 7.642 -0.242 19487 609 1 3 . 1 1 22 22 LYS N N 22 121.362 121.362 122.671 -1.309 19487 610 1 3 . 1 1 22 22 LYS HA H 22 4.532 4.532 4.326 0.206 19487 611 1 3 . 1 1 22 22 LYS C C 22 174.616 174.616 175.093 -0.477 19487 612 1 3 . 1 1 22 22 LYS CA C 22 57.332 57.332 53.536 3.796 19487 613 1 3 . 1 1 22 22 LYS CB C 22 40.444 40.444 35.891 4.553 19487 614 1 3 . 1 1 22 22 LYS H H 22 9.007 9.007 8.460 0.547 19487 615 1 3 . 1 1 23 23 THR N N 23 108.761 108.761 113.165 -4.404 19487 616 1 3 . 1 1 23 23 THR HA H 23 4.986 4.986 5.032 -0.046 19487 617 1 3 . 1 1 23 23 THR C C 23 173.623 173.623 173.950 -0.327 19487 618 1 3 . 1 1 23 23 THR CA C 23 62.791 62.791 60.152 2.639 19487 619 1 3 . 1 1 23 23 THR CB C 23 74.679 74.679 69.829 4.850 19487 620 1 3 . 1 1 23 23 THR H H 23 7.757 7.757 8.274 -0.517 19487 621 1 3 . 1 1 24 24 ALA N N 24 124.455 124.455 129.055 -4.600 19487 622 1 3 . 1 1 24 24 ALA HA H 24 4.332 4.332 4.850 -0.518 19487 623 1 3 . 1 1 24 24 ALA C C 24 173.702 173.702 174.722 -1.020 19487 624 1 3 . 1 1 24 24 ALA CA C 24 53.620 53.620 51.989 1.631 19487 625 1 3 . 1 1 24 24 ALA CB C 24 24.927 24.927 21.928 2.999 19487 626 1 3 . 1 1 24 24 ALA H H 24 8.352 8.352 8.432 -0.080 19487 627 1 3 . 1 1 25 25 ARG N N 25 115.144 115.144 119.469 -4.325 19487 628 1 3 . 1 1 25 25 ARG HA H 25 5.339 5.339 5.118 0.221 19487 629 1 3 . 1 1 25 25 ARG C C 25 176.810 176.810 174.842 1.968 19487 630 1 3 . 1 1 25 25 ARG CA C 25 56.600 56.600 54.824 1.776 19487 631 1 3 . 1 1 25 25 ARG CB C 25 36.731 36.731 33.753 2.978 19487 632 1 3 . 1 1 25 25 ARG H H 25 7.882 7.882 8.439 -0.557 19487 633 1 3 . 1 1 26 26 ASP N N 26 126.595 126.595 121.673 4.922 19487 634 1 3 . 1 1 26 26 ASP HA H 26 4.951 4.951 5.027 -0.076 19487 635 1 3 . 1 1 26 26 ASP CA C 26 55.811 55.811 52.752 3.059 19487 636 1 3 . 1 1 26 26 ASP CB C 26 43.672 43.672 41.587 2.085 19487 637 1 3 . 1 1 26 26 ASP H H 26 9.402 9.402 8.625 0.777 19487 638 1 3 . 1 1 27 27 PRO HA H 27 4.398 4.398 4.201 0.197 19487 639 1 3 . 1 1 27 27 PRO C C 27 177.645 177.645 177.312 0.333 19487 640 1 3 . 1 1 27 27 PRO CA C 27 68.772 68.772 65.124 3.648 19487 641 1 3 . 1 1 27 27 PRO CB C 27 35.111 35.111 31.838 3.273 19487 642 1 3 . 1 1 28 28 GLU N N 28 115.064 115.064 118.045 -2.981 19487 643 1 3 . 1 1 28 28 GLU HA H 28 4.434 4.434 4.416 0.018 19487 644 1 3 . 1 1 28 28 GLU C C 28 176.259 176.259 176.437 -0.178 19487 645 1 3 . 1 1 28 28 GLU CA C 28 58.837 58.837 55.831 3.006 19487 646 1 3 . 1 1 28 28 GLU CB C 28 33.536 33.536 27.687 5.849 19487 647 1 3 . 1 1 28 28 GLU H H 28 7.970 7.970 8.220 -0.250 19487 648 1 3 . 1 1 29 29 GLY N N 29 107.797 107.797 107.978 -0.181 19487 649 1 3 . 1 1 29 29 GLY C C 29 175.283 175.283 174.293 0.990 19487 650 1 3 . 1 1 29 29 GLY CA C 29 48.501 48.501 45.990 2.511 19487 651 1 3 . 1 1 29 29 GLY H H 29 8.445 8.445 7.630 0.815 19487 652 1 3 . 1 1 30 30 LYS N N 30 124.471 124.471 118.964 5.507 19487 653 1 3 . 1 1 30 30 LYS C C 30 176.712 176.712 174.402 2.310 19487 654 1 3 . 1 1 30 30 LYS CA C 30 60.736 60.736 54.804 5.932 19487 655 1 3 . 1 1 30 30 LYS CB C 30 35.661 35.661 33.734 1.927 19487 656 1 3 . 1 1 30 30 LYS H H 30 9.011 9.011 7.215 1.796 19487 657 1 3 . 1 1 31 31 ILE N N 31 125.370 125.370 123.370 2.000 19487 658 1 3 . 1 1 31 31 ILE HA H 31 4.790 4.790 4.092 0.698 19487 659 1 3 . 1 1 31 31 ILE C C 31 174.765 174.765 173.666 1.099 19487 660 1 3 . 1 1 31 31 ILE CA C 31 64.312 64.312 59.855 4.457 19487 661 1 3 . 1 1 31 31 ILE CB C 31 42.514 42.514 40.155 2.359 19487 662 1 3 . 1 1 31 31 ILE H H 31 8.425 8.425 8.014 0.411 19487 663 1 3 . 1 1 32 32 TYR N N 32 121.507 121.507 124.039 -2.532 19487 664 1 3 . 1 1 32 32 TYR HA H 32 4.910 4.910 4.420 0.490 19487 665 1 3 . 1 1 32 32 TYR C C 32 170.944 170.944 173.891 -2.947 19487 666 1 3 . 1 1 32 32 TYR CA C 32 58.548 58.548 56.330 2.218 19487 667 1 3 . 1 1 32 32 TYR CB C 32 42.647 42.647 42.101 0.546 19487 668 1 3 . 1 1 32 32 TYR H H 32 8.673 8.673 8.918 -0.245 19487 669 1 3 . 1 1 33 33 TYR N N 33 116.433 116.433 115.564 0.869 19487 670 1 3 . 1 1 33 33 TYR HA H 33 5.415 5.415 5.554 -0.139 19487 671 1 3 . 1 1 33 33 TYR C C 33 175.515 175.515 174.921 0.594 19487 672 1 3 . 1 1 33 33 TYR CA C 33 59.550 59.550 55.965 3.585 19487 673 1 3 . 1 1 33 33 TYR CB C 33 45.035 45.035 41.413 3.622 19487 674 1 3 . 1 1 33 33 TYR H H 33 8.700 8.700 8.304 0.396 19487 675 1 3 . 1 1 34 34 TYR N N 34 117.980 117.980 116.969 1.011 19487 676 1 3 . 1 1 34 34 TYR HA H 34 6.018 6.018 5.503 0.515 19487 677 1 3 . 1 1 34 34 TYR C C 34 171.057 171.057 174.292 -3.235 19487 678 1 3 . 1 1 34 34 TYR CA C 34 58.465 58.465 55.474 2.991 19487 679 1 3 . 1 1 34 34 TYR CB C 34 46.750 46.750 40.784 5.966 19487 680 1 3 . 1 1 34 34 TYR H H 34 9.324 9.324 8.952 0.372 19487 681 1 3 . 1 1 35 35 HIS N N 35 124.333 124.333 123.507 0.826 19487 682 1 3 . 1 1 35 35 HIS HA H 35 3.878 3.878 5.056 -1.178 19487 683 1 3 . 1 1 35 35 HIS C C 35 178.739 178.739 175.698 3.041 19487 684 1 3 . 1 1 35 35 HIS CA C 35 57.747 57.747 56.457 1.290 19487 685 1 3 . 1 1 35 35 HIS CB C 35 35.302 35.302 31.477 3.825 19487 686 1 3 . 1 1 35 35 HIS H H 35 7.704 7.704 9.334 -1.630 19487 687 1 3 . 1 1 36 36 VAL N N 36 123.002 123.002 124.162 -1.160 19487 688 1 3 . 1 1 36 36 VAL HA H 36 3.753 3.753 3.979 -0.226 19487 689 1 3 . 1 1 36 36 VAL C C 36 176.638 176.638 176.773 -0.135 19487 690 1 3 . 1 1 36 36 VAL CA C 36 67.697 67.697 65.254 2.443 19487 691 1 3 . 1 1 36 36 VAL CB C 36 35.060 35.060 31.884 3.176 19487 692 1 3 . 1 1 36 36 VAL H H 36 8.559 8.559 8.584 -0.025 19487 693 1 3 . 1 1 37 37 ILE N N 37 120.608 120.608 119.379 1.229 19487 694 1 3 . 1 1 37 37 ILE HA H 37 4.194 4.194 3.966 0.228 19487 695 1 3 . 1 1 37 37 ILE C C 37 178.269 178.269 177.353 0.916 19487 696 1 3 . 1 1 37 37 ILE CA C 37 65.546 65.546 64.266 1.280 19487 697 1 3 . 1 1 37 37 ILE CB C 37 41.259 41.259 37.988 3.271 19487 698 1 3 . 1 1 37 37 ILE H H 37 8.904 8.904 8.332 0.572 19487 699 1 3 . 1 1 38 38 THR N N 38 112.000 112.000 110.406 1.594 19487 700 1 3 . 1 1 38 38 THR HA H 38 4.014 4.014 4.201 -0.187 19487 701 1 3 . 1 1 38 38 THR C C 38 176.608 176.608 174.785 1.823 19487 702 1 3 . 1 1 38 38 THR CA C 38 66.181 66.181 62.649 3.532 19487 703 1 3 . 1 1 38 38 THR CB C 38 72.340 72.340 69.506 2.834 19487 704 1 3 . 1 1 38 38 THR H H 38 8.942 8.942 7.842 1.100 19487 705 1 3 . 1 1 39 39 ARG N N 39 113.683 113.683 118.145 -4.462 19487 706 1 3 . 1 1 39 39 ARG HA H 39 4.019 4.019 4.160 -0.141 19487 707 1 3 . 1 1 39 39 ARG C C 39 174.659 174.659 174.844 -0.185 19487 708 1 3 . 1 1 39 39 ARG CA C 39 59.924 59.924 57.267 2.657 19487 709 1 3 . 1 1 39 39 ARG CB C 39 28.994 28.994 27.113 1.881 19487 710 1 3 . 1 1 39 39 ARG H H 39 8.111 8.111 8.126 -0.015 19487 711 1 3 . 1 1 40 40 GLN N N 40 118.822 118.822 117.209 1.613 19487 712 1 3 . 1 1 40 40 GLN HA H 40 4.335 4.335 4.714 -0.379 19487 713 1 3 . 1 1 40 40 GLN C C 40 174.969 174.969 174.243 0.726 19487 714 1 3 . 1 1 40 40 GLN CA C 40 59.216 59.216 54.368 4.848 19487 715 1 3 . 1 1 40 40 GLN CB C 40 32.661 32.661 33.183 -0.522 19487 716 1 3 . 1 1 40 40 GLN H H 40 7.740 7.740 7.774 -0.034 19487 717 1 3 . 1 1 41 41 THR N N 41 110.403 110.403 114.843 -4.440 19487 718 1 3 . 1 1 41 41 THR HA H 41 5.868 5.868 5.320 0.548 19487 719 1 3 . 1 1 41 41 THR C C 41 174.918 174.918 173.381 1.537 19487 720 1 3 . 1 1 41 41 THR CA C 41 62.191 62.191 61.047 1.144 19487 721 1 3 . 1 1 41 41 THR CB C 41 76.145 76.145 70.320 5.825 19487 722 1 3 . 1 1 41 41 THR H H 41 8.192 8.192 8.552 -0.360 19487 723 1 3 . 1 1 42 42 GLN N N 42 113.850 113.850 126.916 -13.066 19487 724 1 3 . 1 1 42 42 GLN HA H 42 4.785 4.785 4.902 -0.117 19487 725 1 3 . 1 1 42 42 GLN C C 42 174.918 174.918 174.886 0.032 19487 726 1 3 . 1 1 42 42 GLN CA C 42 58.285 58.285 54.732 3.553 19487 727 1 3 . 1 1 42 42 GLN CB C 42 35.073 35.073 31.454 3.619 19487 728 1 3 . 1 1 42 42 GLN H H 42 9.120 9.120 8.599 0.521 19487 729 1 3 . 1 1 43 43 TRP N N 43 120.166 120.166 127.281 -7.115 19487 730 1 3 . 1 1 43 43 TRP HA H 43 5.119 5.119 4.634 0.485 19487 731 1 3 . 1 1 43 43 TRP C C 43 176.115 176.115 176.106 0.009 19487 732 1 3 . 1 1 43 43 TRP CA C 43 62.184 62.184 59.151 3.033 19487 733 1 3 . 1 1 43 43 TRP CB C 43 34.495 34.495 30.227 4.268 19487 734 1 3 . 1 1 43 43 TRP H H 43 9.019 9.019 8.976 0.043 19487 735 1 3 . 1 1 44 44 ASP N N 44 115.913 115.913 119.690 -3.777 19487 736 1 3 . 1 1 44 44 ASP HA H 44 5.113 5.113 4.625 0.488 19487 737 1 3 . 1 1 44 44 ASP CA C 44 54.787 54.787 54.482 0.305 19487 738 1 3 . 1 1 44 44 ASP CB C 44 43.540 43.540 40.484 3.056 19487 739 1 3 . 1 1 44 44 ASP H H 44 7.976 7.976 8.412 -0.436 19487 740 1 3 . 1 1 46 46 PRO HA H 46 3.808 3.808 4.399 -0.591 19487 741 1 3 . 1 1 46 46 PRO C C 46 175.510 175.510 176.566 -1.056 19487 742 1 3 . 1 1 46 46 PRO CA C 46 64.219 64.219 62.661 1.558 19487 743 1 3 . 1 1 46 46 PRO CB C 46 33.572 33.572 32.535 1.037 19487 744 1 3 . 1 1 47 47 THR N N 47 112.072 112.072 114.462 -2.390 19487 745 1 3 . 1 1 47 47 THR HA H 47 4.234 4.234 4.024 0.210 19487 746 1 3 . 1 1 47 47 THR C C 47 174.205 174.205 175.121 -0.916 19487 747 1 3 . 1 1 47 47 THR CA C 47 63.797 63.797 60.352 3.445 19487 748 1 3 . 1 1 47 47 THR CB C 47 73.250 73.250 69.485 3.765 19487 749 1 3 . 1 1 47 47 THR H H 47 7.690 7.690 8.077 -0.387 19487 750 1 3 . 1 1 48 48 TRP N N 48 123.257 123.257 121.016 2.241 19487 751 1 3 . 1 1 48 48 TRP HA H 48 4.404 4.404 4.327 0.077 19487 752 1 3 . 1 1 48 48 TRP C C 48 175.934 175.934 175.726 0.208 19487 753 1 3 . 1 1 48 48 TRP CA C 48 60.797 60.797 59.483 1.314 19487 754 1 3 . 1 1 48 48 TRP CB C 48 32.345 32.345 29.417 2.928 19487 755 1 3 . 1 1 48 48 TRP H H 48 8.480 8.480 8.189 0.291 19487 756 1 3 . 1 1 49 49 GLU N N 49 122.782 122.782 117.547 5.235 19487 757 1 3 . 1 1 49 49 GLU HA H 49 4.273 4.273 4.256 0.017 19487 758 1 3 . 1 1 49 49 GLU C C 49 175.847 175.847 174.796 1.051 19487 759 1 3 . 1 1 49 49 GLU CA C 49 59.213 59.213 55.291 3.922 19487 760 1 3 . 1 1 49 49 GLU CB C 49 33.752 33.752 31.385 2.367 19487 761 1 3 . 1 1 49 49 GLU H H 49 8.296 8.296 7.849 0.447 19487 762 1 3 . 1 1 50 50 SER N N 50 118.313 118.313 117.387 0.926 19487 763 1 3 . 1 1 50 50 SER HA H 50 4.613 4.613 4.733 -0.120 19487 764 1 3 . 1 1 50 50 SER CA C 50 47.633 47.633 55.214 -7.581 19487 765 1 3 . 1 1 50 50 SER CB C 50 66.397 66.397 63.756 2.641 19487 766 1 3 . 1 1 50 50 SER H H 50 8.344 8.344 8.159 0.185 19487 767 1 3 . 1 1 51 51 PRO HA H 51 4.400 4.400 4.407 -0.007 19487 768 1 3 . 1 1 51 51 PRO C C 51 177.481 177.481 178.219 -0.738 19487 769 1 3 . 1 1 51 51 PRO CA C 51 66.571 66.571 62.490 4.081 19487 770 1 3 . 1 1 51 51 PRO CB C 51 35.162 35.162 32.471 2.691 19487 771 1 3 . 1 1 52 52 GLY N N 52 109.070 109.070 107.318 1.752 19487 772 1 3 . 1 1 52 52 GLY C C 52 173.969 173.969 175.928 -1.959 19487 773 1 3 . 1 1 52 52 GLY CA C 52 48.147 48.147 46.760 1.387 19487 774 1 3 . 1 1 52 52 GLY H H 52 8.345 8.345 8.520 -0.175 19487 775 1 3 . 1 1 53 53 ASP N N 53 120.558 120.558 119.549 1.009 19487 776 1 3 . 1 1 53 53 ASP HA H 53 4.589 4.589 4.481 0.108 19487 777 1 3 . 1 1 53 53 ASP C C 53 176.133 176.133 177.271 -1.138 19487 778 1 3 . 1 1 53 53 ASP CA C 53 57.417 57.417 55.889 1.528 19487 779 1 3 . 1 1 53 53 ASP CB C 53 44.256 44.256 40.756 3.500 19487 780 1 3 . 1 1 53 53 ASP H H 53 8.216 8.216 8.116 0.100 19487 781 1 3 . 1 1 54 54 ASP N N 54 120.383 120.383 117.296 3.087 19487 782 1 3 . 1 1 54 54 ASP HA H 54 4.552 4.552 4.527 0.025 19487 783 1 3 . 1 1 54 54 ASP C C 54 175.904 175.904 176.256 -0.352 19487 784 1 3 . 1 1 54 54 ASP CA C 54 57.311 57.311 54.565 2.746 19487 785 1 3 . 1 1 54 54 ASP CB C 54 44.107 44.107 41.087 3.021 19487 786 1 3 . 1 1 54 54 ASP H H 54 8.338 8.338 8.210 0.128 19487 787 1 3 . 1 1 55 55 ALA N N 55 124.730 124.730 121.252 3.478 19487 788 1 3 . 1 1 55 55 ALA HA H 55 4.383 4.383 3.840 0.543 19487 789 1 3 . 1 1 55 55 ALA C C 55 176.939 176.939 176.409 0.530 19487 790 1 3 . 1 1 55 55 ALA CA C 55 55.436 55.436 54.126 1.310 19487 791 1 3 . 1 1 55 55 ALA CB C 55 22.413 22.413 17.590 4.823 19487 792 1 3 . 1 1 55 55 ALA H H 55 8.153 8.153 8.370 -0.217 19487 793 1 4 . 1 1 2 2 SER N N 2 117.407 117.407 116.572 0.835 19487 794 1 4 . 1 1 2 2 SER HA H 2 4.489 4.489 4.381 0.108 19487 795 1 4 . 1 1 2 2 SER C C 2 176.003 176.003 175.183 0.820 19487 796 1 4 . 1 1 2 2 SER CA C 2 61.265 61.265 60.380 0.885 19487 797 1 4 . 1 1 2 2 SER CB C 2 66.930 66.930 63.087 3.843 19487 798 1 4 . 1 1 2 2 SER H H 2 8.038 8.038 8.592 -0.554 19487 799 1 4 . 1 1 3 3 ASP N N 3 122.561 122.561 120.547 2.014 19487 800 1 4 . 1 1 3 3 ASP HA H 3 4.589 4.589 4.565 0.024 19487 801 1 4 . 1 1 3 3 ASP C C 3 175.831 175.831 176.199 -0.368 19487 802 1 4 . 1 1 3 3 ASP CA C 3 57.207 57.207 54.934 2.273 19487 803 1 4 . 1 1 3 3 ASP CB C 3 44.183 44.183 41.111 3.072 19487 804 1 4 . 1 1 3 3 ASP H H 3 8.506 8.506 8.223 0.283 19487 805 1 4 . 1 1 4 4 LEU N N 4 123.656 123.656 120.832 2.824 19487 806 1 4 . 1 1 4 4 LEU HA H 4 4.548 4.548 4.662 -0.114 19487 807 1 4 . 1 1 4 4 LEU CA C 4 56.089 56.089 51.897 4.192 19487 808 1 4 . 1 1 4 4 LEU H H 4 8.187 8.187 7.612 0.575 19487 809 1 4 . 1 1 7 7 PRO HA H 7 4.361 4.361 4.500 -0.139 19487 810 1 4 . 1 1 7 7 PRO C C 7 175.043 175.043 176.033 -0.990 19487 811 1 4 . 1 1 7 7 PRO CA C 7 64.870 64.870 62.005 2.865 19487 812 1 4 . 1 1 7 7 PRO CB C 7 35.143 35.143 32.733 2.410 19487 813 1 4 . 1 1 8 8 SER N N 8 116.762 116.762 115.953 0.809 19487 814 1 4 . 1 1 8 8 SER HA H 8 3.925 3.925 4.620 -0.695 19487 815 1 4 . 1 1 8 8 SER CA C 8 60.475 60.475 55.879 4.596 19487 816 1 4 . 1 1 8 8 SER CB C 8 65.096 65.096 63.858 1.238 19487 817 1 4 . 1 1 8 8 SER H H 8 8.302 8.302 8.310 -0.008 19487 818 1 4 . 1 1 11 11 ALA HA H 11 4.218 4.218 4.122 0.096 19487 819 1 4 . 1 1 11 11 ALA C C 11 178.565 178.565 179.639 -1.074 19487 820 1 4 . 1 1 11 11 ALA CA C 11 55.637 55.637 54.500 1.137 19487 821 1 4 . 1 1 11 11 ALA CB C 11 21.863 21.863 18.474 3.389 19487 822 1 4 . 1 1 12 12 ALA N N 12 125.155 125.155 120.592 4.563 19487 823 1 4 . 1 1 12 12 ALA HA H 12 4.247 4.247 4.222 0.025 19487 824 1 4 . 1 1 12 12 ALA C C 12 177.718 177.718 179.164 -1.446 19487 825 1 4 . 1 1 12 12 ALA CA C 12 56.529 56.529 53.743 2.785 19487 826 1 4 . 1 1 12 12 ALA CB C 12 22.033 22.033 18.173 3.860 19487 827 1 4 . 1 1 12 12 ALA H H 12 8.596 8.596 8.417 0.179 19487 828 1 4 . 1 1 13 13 ALA N N 13 122.474 122.474 120.776 1.698 19487 829 1 4 . 1 1 13 13 ALA HA H 13 4.387 4.387 3.952 0.435 19487 830 1 4 . 1 1 13 13 ALA C C 13 177.521 177.521 178.404 -0.883 19487 831 1 4 . 1 1 13 13 ALA CA C 13 55.079 55.079 54.811 0.268 19487 832 1 4 . 1 1 13 13 ALA CB C 13 22.732 22.732 18.209 4.523 19487 833 1 4 . 1 1 13 13 ALA H H 13 8.117 8.117 7.555 0.562 19487 834 1 4 . 1 1 14 14 THR N N 14 114.271 114.271 111.904 2.367 19487 835 1 4 . 1 1 14 14 THR HA H 14 4.196 4.196 4.187 0.009 19487 836 1 4 . 1 1 14 14 THR C C 14 174.319 174.319 176.120 -1.801 19487 837 1 4 . 1 1 14 14 THR CA C 14 65.631 65.631 64.199 1.432 19487 838 1 4 . 1 1 14 14 THR CB C 14 72.638 72.638 68.844 3.794 19487 839 1 4 . 1 1 14 14 THR H H 14 8.202 8.202 7.567 0.635 19487 840 1 4 . 1 1 15 15 ILE N N 15 125.881 125.881 121.867 4.014 19487 841 1 4 . 1 1 15 15 ILE HA H 15 4.139 4.139 3.777 0.362 19487 842 1 4 . 1 1 15 15 ILE C C 15 175.396 175.396 175.452 -0.056 19487 843 1 4 . 1 1 15 15 ILE CA C 15 64.025 64.025 63.800 0.225 19487 844 1 4 . 1 1 15 15 ILE CB C 15 41.834 41.834 38.468 3.366 19487 845 1 4 . 1 1 15 15 ILE H H 15 8.149 8.149 7.862 0.287 19487 846 1 4 . 1 1 16 16 VAL N N 16 128.849 128.849 116.297 12.552 19487 847 1 4 . 1 1 16 16 VAL HA H 16 4.104 4.104 4.257 -0.153 19487 848 1 4 . 1 1 16 16 VAL C C 16 175.476 175.476 174.079 1.397 19487 849 1 4 . 1 1 16 16 VAL CA C 16 65.134 65.134 60.941 4.193 19487 850 1 4 . 1 1 16 16 VAL CB C 16 35.473 35.473 33.917 1.556 19487 851 1 4 . 1 1 16 16 VAL H H 16 8.453 8.453 7.866 0.587 19487 852 1 4 . 1 1 17 17 LEU N N 17 128.264 128.264 124.177 4.087 19487 853 1 4 . 1 1 17 17 LEU HA H 17 4.587 4.587 4.797 -0.210 19487 854 1 4 . 1 1 17 17 LEU CA C 17 55.193 55.193 50.642 4.551 19487 855 1 4 . 1 1 17 17 LEU CB C 17 45.309 45.309 43.822 1.487 19487 856 1 4 . 1 1 17 17 LEU H H 17 8.538 8.538 7.907 0.631 19487 857 1 4 . 1 1 19 19 PRO HA H 19 4.200 4.200 4.412 -0.212 19487 858 1 4 . 1 1 19 19 PRO C C 19 176.905 176.905 177.252 -0.347 19487 859 1 4 . 1 1 19 19 PRO CA C 19 66.913 66.913 64.539 2.374 19487 860 1 4 . 1 1 19 19 PRO CB C 19 35.066 35.066 32.001 3.065 19487 861 1 4 . 1 1 20 20 ASN N N 20 111.422 111.422 114.211 -2.789 19487 862 1 4 . 1 1 20 20 ASN HA H 20 3.984 3.984 4.663 -0.679 19487 863 1 4 . 1 1 20 20 ASN C C 20 172.258 172.258 176.164 -3.906 19487 864 1 4 . 1 1 20 20 ASN CA C 20 58.148 58.148 53.614 4.534 19487 865 1 4 . 1 1 20 20 ASN CB C 20 39.841 39.841 38.087 1.754 19487 866 1 4 . 1 1 20 20 ASN H H 20 8.543 8.543 8.271 0.272 19487 867 1 4 . 1 1 21 21 TRP N N 21 117.593 117.593 119.689 -2.096 19487 868 1 4 . 1 1 21 21 TRP HA H 21 5.082 5.082 5.136 -0.054 19487 869 1 4 . 1 1 21 21 TRP C C 21 175.610 175.610 175.451 0.159 19487 870 1 4 . 1 1 21 21 TRP CA C 21 60.096 60.096 55.438 4.658 19487 871 1 4 . 1 1 21 21 TRP CB C 21 34.695 34.695 29.222 5.473 19487 872 1 4 . 1 1 21 21 TRP H H 21 7.400 7.400 7.902 -0.502 19487 873 1 4 . 1 1 22 22 LYS N N 22 121.362 121.362 120.169 1.193 19487 874 1 4 . 1 1 22 22 LYS HA H 22 4.532 4.532 4.547 -0.015 19487 875 1 4 . 1 1 22 22 LYS C C 22 174.616 174.616 175.726 -1.110 19487 876 1 4 . 1 1 22 22 LYS CA C 22 57.332 57.332 53.774 3.558 19487 877 1 4 . 1 1 22 22 LYS CB C 22 40.444 40.444 36.190 4.254 19487 878 1 4 . 1 1 22 22 LYS H H 22 9.007 9.007 8.842 0.165 19487 879 1 4 . 1 1 23 23 THR N N 23 108.761 108.761 111.049 -2.288 19487 880 1 4 . 1 1 23 23 THR HA H 23 4.986 4.986 4.897 0.089 19487 881 1 4 . 1 1 23 23 THR C C 23 173.623 173.623 173.215 0.408 19487 882 1 4 . 1 1 23 23 THR CA C 23 62.791 62.791 59.941 2.850 19487 883 1 4 . 1 1 23 23 THR CB C 23 74.679 74.679 70.861 3.818 19487 884 1 4 . 1 1 23 23 THR H H 23 7.757 7.757 8.245 -0.488 19487 885 1 4 . 1 1 24 24 ALA N N 24 124.455 124.455 124.628 -0.173 19487 886 1 4 . 1 1 24 24 ALA HA H 24 4.332 4.332 4.624 -0.292 19487 887 1 4 . 1 1 24 24 ALA C C 24 173.702 173.702 174.800 -1.098 19487 888 1 4 . 1 1 24 24 ALA CA C 24 53.620 53.620 52.283 1.337 19487 889 1 4 . 1 1 24 24 ALA CB C 24 24.927 24.927 21.969 2.958 19487 890 1 4 . 1 1 24 24 ALA H H 24 8.352 8.352 7.750 0.602 19487 891 1 4 . 1 1 25 25 ARG N N 25 115.144 115.144 119.085 -3.941 19487 892 1 4 . 1 1 25 25 ARG HA H 25 5.339 5.339 5.260 0.079 19487 893 1 4 . 1 1 25 25 ARG C C 25 176.810 176.810 175.123 1.687 19487 894 1 4 . 1 1 25 25 ARG CA C 25 56.600 56.600 54.974 1.625 19487 895 1 4 . 1 1 25 25 ARG CB C 25 36.731 36.731 33.392 3.339 19487 896 1 4 . 1 1 25 25 ARG H H 25 7.882 7.882 8.499 -0.617 19487 897 1 4 . 1 1 26 26 ASP N N 26 126.595 126.595 123.159 3.436 19487 898 1 4 . 1 1 26 26 ASP HA H 26 4.951 4.951 5.073 -0.122 19487 899 1 4 . 1 1 26 26 ASP CA C 26 55.811 55.811 52.961 2.850 19487 900 1 4 . 1 1 26 26 ASP CB C 26 43.672 43.672 41.544 2.128 19487 901 1 4 . 1 1 26 26 ASP H H 26 9.402 9.402 8.516 0.886 19487 902 1 4 . 1 1 27 27 PRO HA H 27 4.398 4.398 4.214 0.184 19487 903 1 4 . 1 1 27 27 PRO C C 27 177.645 177.645 177.456 0.189 19487 904 1 4 . 1 1 27 27 PRO CA C 27 68.772 68.772 65.146 3.626 19487 905 1 4 . 1 1 27 27 PRO CB C 27 35.111 35.111 31.857 3.254 19487 906 1 4 . 1 1 28 28 GLU N N 28 115.064 115.064 118.124 -3.060 19487 907 1 4 . 1 1 28 28 GLU HA H 28 4.434 4.434 4.372 0.062 19487 908 1 4 . 1 1 28 28 GLU C C 28 176.259 176.259 176.468 -0.209 19487 909 1 4 . 1 1 28 28 GLU CA C 28 58.837 58.837 55.755 3.082 19487 910 1 4 . 1 1 28 28 GLU CB C 28 33.536 33.536 27.216 6.320 19487 911 1 4 . 1 1 28 28 GLU H H 28 7.970 7.970 8.438 -0.468 19487 912 1 4 . 1 1 29 29 GLY N N 29 107.797 107.797 108.446 -0.649 19487 913 1 4 . 1 1 29 29 GLY C C 29 175.283 175.283 174.473 0.810 19487 914 1 4 . 1 1 29 29 GLY CA C 29 48.501 48.501 46.003 2.498 19487 915 1 4 . 1 1 29 29 GLY H H 29 8.445 8.445 7.800 0.645 19487 916 1 4 . 1 1 30 30 LYS N N 30 124.471 124.471 119.841 4.630 19487 917 1 4 . 1 1 30 30 LYS C C 30 176.712 176.712 174.951 1.761 19487 918 1 4 . 1 1 30 30 LYS CA C 30 60.736 60.736 55.904 4.832 19487 919 1 4 . 1 1 30 30 LYS CB C 30 35.661 35.661 33.535 2.126 19487 920 1 4 . 1 1 30 30 LYS H H 30 9.011 9.011 7.395 1.616 19487 921 1 4 . 1 1 31 31 ILE N N 31 125.370 125.370 123.154 2.216 19487 922 1 4 . 1 1 31 31 ILE HA H 31 4.790 4.790 4.535 0.255 19487 923 1 4 . 1 1 31 31 ILE C C 31 174.765 174.765 173.791 0.974 19487 924 1 4 . 1 1 31 31 ILE CA C 31 64.312 64.312 59.296 5.016 19487 925 1 4 . 1 1 31 31 ILE CB C 31 42.514 42.514 40.917 1.597 19487 926 1 4 . 1 1 31 31 ILE H H 31 8.425 8.425 8.367 0.058 19487 927 1 4 . 1 1 32 32 TYR N N 32 121.507 121.507 124.750 -3.243 19487 928 1 4 . 1 1 32 32 TYR HA H 32 4.910 4.910 4.922 -0.012 19487 929 1 4 . 1 1 32 32 TYR C C 32 170.944 170.944 173.881 -2.937 19487 930 1 4 . 1 1 32 32 TYR CA C 32 58.548 58.548 56.251 2.297 19487 931 1 4 . 1 1 32 32 TYR CB C 32 42.647 42.647 43.126 -0.479 19487 932 1 4 . 1 1 32 32 TYR H H 32 8.673 8.673 8.580 0.093 19487 933 1 4 . 1 1 33 33 TYR N N 33 116.433 116.433 116.229 0.204 19487 934 1 4 . 1 1 33 33 TYR HA H 33 5.415 5.415 5.051 0.364 19487 935 1 4 . 1 1 33 33 TYR C C 33 175.515 175.515 174.611 0.904 19487 936 1 4 . 1 1 33 33 TYR CA C 33 59.550 59.550 55.884 3.666 19487 937 1 4 . 1 1 33 33 TYR CB C 33 45.035 45.035 41.810 3.225 19487 938 1 4 . 1 1 33 33 TYR H H 33 8.700 8.700 8.461 0.239 19487 939 1 4 . 1 1 34 34 TYR N N 34 117.980 117.980 120.786 -2.806 19487 940 1 4 . 1 1 34 34 TYR HA H 34 6.018 6.018 5.578 0.440 19487 941 1 4 . 1 1 34 34 TYR C C 34 171.057 171.057 176.003 -4.946 19487 942 1 4 . 1 1 34 34 TYR CA C 34 58.465 58.465 55.007 3.458 19487 943 1 4 . 1 1 34 34 TYR CB C 34 46.750 46.750 40.101 6.649 19487 944 1 4 . 1 1 34 34 TYR H H 34 9.324 9.324 9.197 0.127 19487 945 1 4 . 1 1 35 35 HIS N N 35 124.333 124.333 123.754 0.579 19487 946 1 4 . 1 1 35 35 HIS HA H 35 3.878 3.878 5.033 -1.155 19487 947 1 4 . 1 1 35 35 HIS C C 35 178.739 178.739 176.134 2.605 19487 948 1 4 . 1 1 35 35 HIS CA C 35 57.747 57.747 55.414 2.333 19487 949 1 4 . 1 1 35 35 HIS CB C 35 35.302 35.302 29.926 5.376 19487 950 1 4 . 1 1 35 35 HIS H H 35 7.704 7.704 9.751 -2.047 19487 951 1 4 . 1 1 36 36 VAL N N 36 123.002 123.002 123.257 -0.255 19487 952 1 4 . 1 1 36 36 VAL HA H 36 3.753 3.753 3.951 -0.198 19487 953 1 4 . 1 1 36 36 VAL C C 36 176.638 176.638 176.552 0.086 19487 954 1 4 . 1 1 36 36 VAL CA C 36 67.697 67.697 66.201 1.496 19487 955 1 4 . 1 1 36 36 VAL CB C 36 35.060 35.060 31.855 3.205 19487 956 1 4 . 1 1 36 36 VAL H H 36 8.559 8.559 8.579 -0.020 19487 957 1 4 . 1 1 37 37 ILE N N 37 120.608 120.608 120.150 0.458 19487 958 1 4 . 1 1 37 37 ILE HA H 37 4.194 4.194 3.905 0.289 19487 959 1 4 . 1 1 37 37 ILE C C 37 178.269 178.269 177.323 0.946 19487 960 1 4 . 1 1 37 37 ILE CA C 37 65.546 65.546 64.093 1.453 19487 961 1 4 . 1 1 37 37 ILE CB C 37 41.259 41.259 37.696 3.563 19487 962 1 4 . 1 1 37 37 ILE H H 37 8.904 8.904 8.074 0.830 19487 963 1 4 . 1 1 38 38 THR N N 38 112.000 112.000 109.880 2.120 19487 964 1 4 . 1 1 38 38 THR HA H 38 4.014 4.014 4.115 -0.101 19487 965 1 4 . 1 1 38 38 THR C C 38 176.608 176.608 174.796 1.812 19487 966 1 4 . 1 1 38 38 THR CA C 38 66.181 66.181 63.050 3.131 19487 967 1 4 . 1 1 38 38 THR CB C 38 72.340 72.340 68.991 3.349 19487 968 1 4 . 1 1 38 38 THR H H 38 8.942 8.942 7.992 0.950 19487 969 1 4 . 1 1 39 39 ARG N N 39 113.683 113.683 116.894 -3.211 19487 970 1 4 . 1 1 39 39 ARG HA H 39 4.019 4.019 4.083 -0.064 19487 971 1 4 . 1 1 39 39 ARG C C 39 174.659 174.659 174.612 0.047 19487 972 1 4 . 1 1 39 39 ARG CA C 39 59.924 59.924 57.390 2.534 19487 973 1 4 . 1 1 39 39 ARG CB C 39 28.994 28.994 26.977 2.017 19487 974 1 4 . 1 1 39 39 ARG H H 39 8.111 8.111 7.900 0.211 19487 975 1 4 . 1 1 40 40 GLN N N 40 118.822 118.822 115.982 2.840 19487 976 1 4 . 1 1 40 40 GLN HA H 40 4.335 4.335 4.581 -0.246 19487 977 1 4 . 1 1 40 40 GLN C C 40 174.969 174.969 174.775 0.194 19487 978 1 4 . 1 1 40 40 GLN CA C 40 59.216 59.216 54.335 4.881 19487 979 1 4 . 1 1 40 40 GLN CB C 40 32.661 32.661 32.797 -0.136 19487 980 1 4 . 1 1 40 40 GLN H H 40 7.740 7.740 7.785 -0.045 19487 981 1 4 . 1 1 41 41 THR N N 41 110.403 110.403 115.072 -4.669 19487 982 1 4 . 1 1 41 41 THR HA H 41 5.868 5.868 5.968 -0.100 19487 983 1 4 . 1 1 41 41 THR C C 41 174.918 174.918 173.464 1.454 19487 984 1 4 . 1 1 41 41 THR CA C 41 62.191 62.191 60.152 2.039 19487 985 1 4 . 1 1 41 41 THR CB C 41 76.145 76.145 70.657 5.488 19487 986 1 4 . 1 1 41 41 THR H H 41 8.192 8.192 8.429 -0.237 19487 987 1 4 . 1 1 42 42 GLN N N 42 113.850 113.850 125.902 -12.052 19487 988 1 4 . 1 1 42 42 GLN HA H 42 4.785 4.785 4.999 -0.214 19487 989 1 4 . 1 1 42 42 GLN C C 42 174.918 174.918 174.664 0.254 19487 990 1 4 . 1 1 42 42 GLN CA C 42 58.285 58.285 54.355 3.930 19487 991 1 4 . 1 1 42 42 GLN CB C 42 35.073 35.073 31.057 4.016 19487 992 1 4 . 1 1 42 42 GLN H H 42 9.120 9.120 8.858 0.262 19487 993 1 4 . 1 1 43 43 TRP N N 43 120.166 120.166 126.953 -6.787 19487 994 1 4 . 1 1 43 43 TRP HA H 43 5.119 5.119 4.765 0.354 19487 995 1 4 . 1 1 43 43 TRP C C 43 176.115 176.115 176.227 -0.112 19487 996 1 4 . 1 1 43 43 TRP CA C 43 62.184 62.184 59.426 2.757 19487 997 1 4 . 1 1 43 43 TRP CB C 43 34.495 34.495 30.300 4.194 19487 998 1 4 . 1 1 43 43 TRP H H 43 9.019 9.019 9.082 -0.063 19487 999 1 4 . 1 1 44 44 ASP N N 44 115.913 115.913 116.957 -1.044 19487 1000 1 4 . 1 1 44 44 ASP HA H 44 5.113 5.113 4.447 0.666 19487 1001 1 4 . 1 1 44 44 ASP CA C 44 54.787 54.787 54.239 0.548 19487 1002 1 4 . 1 1 44 44 ASP CB C 44 43.540 43.540 39.740 3.800 19487 1003 1 4 . 1 1 44 44 ASP H H 44 7.976 7.976 8.154 -0.178 19487 1004 1 4 . 1 1 46 46 PRO HA H 46 3.808 3.808 4.518 -0.710 19487 1005 1 4 . 1 1 46 46 PRO C C 46 175.510 175.510 177.012 -1.502 19487 1006 1 4 . 1 1 46 46 PRO CA C 46 64.219 64.219 62.289 1.930 19487 1007 1 4 . 1 1 46 46 PRO CB C 46 33.572 33.572 32.214 1.358 19487 1008 1 4 . 1 1 47 47 THR N N 47 112.072 112.072 112.886 -0.814 19487 1009 1 4 . 1 1 47 47 THR HA H 47 4.234 4.234 3.871 0.363 19487 1010 1 4 . 1 1 47 47 THR C C 47 174.205 174.205 175.059 -0.854 19487 1011 1 4 . 1 1 47 47 THR CA C 47 63.797 63.797 62.175 1.622 19487 1012 1 4 . 1 1 47 47 THR CB C 47 73.250 73.250 69.153 4.097 19487 1013 1 4 . 1 1 47 47 THR H H 47 7.690 7.690 8.083 -0.393 19487 1014 1 4 . 1 1 48 48 TRP N N 48 123.257 123.257 122.293 0.964 19487 1015 1 4 . 1 1 48 48 TRP HA H 48 4.404 4.404 4.344 0.060 19487 1016 1 4 . 1 1 48 48 TRP C C 48 175.934 175.934 175.611 0.323 19487 1017 1 4 . 1 1 48 48 TRP CA C 48 60.797 60.797 58.045 2.752 19487 1018 1 4 . 1 1 48 48 TRP CB C 48 32.345 32.345 29.551 2.794 19487 1019 1 4 . 1 1 48 48 TRP H H 48 8.480 8.480 8.375 0.105 19487 1020 1 4 . 1 1 49 49 GLU N N 49 122.782 122.782 118.970 3.812 19487 1021 1 4 . 1 1 49 49 GLU HA H 49 4.273 4.273 4.399 -0.126 19487 1022 1 4 . 1 1 49 49 GLU C C 49 175.847 175.847 175.094 0.753 19487 1023 1 4 . 1 1 49 49 GLU CA C 49 59.213 59.213 55.963 3.250 19487 1024 1 4 . 1 1 49 49 GLU CB C 49 33.752 33.752 30.796 2.956 19487 1025 1 4 . 1 1 49 49 GLU H H 49 8.296 8.296 7.988 0.308 19487 1026 1 4 . 1 1 50 50 SER N N 50 118.313 118.313 120.005 -1.692 19487 1027 1 4 . 1 1 50 50 SER HA H 50 4.613 4.613 4.818 -0.205 19487 1028 1 4 . 1 1 50 50 SER CA C 50 47.633 47.633 54.631 -6.998 19487 1029 1 4 . 1 1 50 50 SER CB C 50 66.397 66.397 64.728 1.669 19487 1030 1 4 . 1 1 50 50 SER H H 50 8.344 8.344 8.501 -0.157 19487 1031 1 4 . 1 1 51 51 PRO HA H 51 4.400 4.400 4.539 -0.139 19487 1032 1 4 . 1 1 51 51 PRO C C 51 177.481 177.481 177.726 -0.245 19487 1033 1 4 . 1 1 51 51 PRO CA C 51 66.571 66.571 62.548 4.023 19487 1034 1 4 . 1 1 51 51 PRO CB C 51 35.162 35.162 32.766 2.396 19487 1035 1 4 . 1 1 52 52 GLY N N 52 109.070 109.070 108.381 0.689 19487 1036 1 4 . 1 1 52 52 GLY C C 52 173.969 173.969 176.236 -2.267 19487 1037 1 4 . 1 1 52 52 GLY CA C 52 48.147 48.147 46.579 1.568 19487 1038 1 4 . 1 1 52 52 GLY H H 52 8.345 8.345 8.619 -0.274 19487 1039 1 4 . 1 1 53 53 ASP N N 53 120.558 120.558 119.529 1.029 19487 1040 1 4 . 1 1 53 53 ASP HA H 53 4.589 4.589 4.464 0.125 19487 1041 1 4 . 1 1 53 53 ASP C C 53 176.133 176.133 177.543 -1.410 19487 1042 1 4 . 1 1 53 53 ASP CA C 53 57.417 57.417 56.256 1.161 19487 1043 1 4 . 1 1 53 53 ASP CB C 53 44.256 44.256 40.949 3.307 19487 1044 1 4 . 1 1 53 53 ASP H H 53 8.216 8.216 8.345 -0.129 19487 1045 1 4 . 1 1 54 54 ASP N N 54 120.383 120.383 117.841 2.542 19487 1046 1 4 . 1 1 54 54 ASP HA H 54 4.552 4.552 4.569 -0.017 19487 1047 1 4 . 1 1 54 54 ASP C C 54 175.904 175.904 175.886 0.018 19487 1048 1 4 . 1 1 54 54 ASP CA C 54 57.311 57.311 55.238 2.073 19487 1049 1 4 . 1 1 54 54 ASP CB C 54 44.107 44.107 41.446 2.661 19487 1050 1 4 . 1 1 54 54 ASP H H 54 8.338 8.338 8.132 0.206 19487 1051 1 4 . 1 1 55 55 ALA N N 55 124.730 124.730 122.389 2.341 19487 1052 1 4 . 1 1 55 55 ALA HA H 55 4.383 4.383 4.620 -0.237 19487 1053 1 4 . 1 1 55 55 ALA C C 55 176.939 176.939 175.484 1.455 19487 1054 1 4 . 1 1 55 55 ALA CA C 55 55.436 55.436 51.640 3.796 19487 1055 1 4 . 1 1 55 55 ALA CB C 55 22.413 22.413 19.752 2.661 19487 1056 1 4 . 1 1 55 55 ALA H H 55 8.153 8.153 7.534 0.619 19487 1057 1 5 . 1 1 2 2 SER N N 2 117.407 117.407 118.563 -1.156 19487 1058 1 5 . 1 1 2 2 SER HA H 2 4.489 4.489 4.345 0.144 19487 1059 1 5 . 1 1 2 2 SER C C 2 176.003 176.003 175.195 0.808 19487 1060 1 5 . 1 1 2 2 SER CA C 2 61.265 61.265 60.602 0.663 19487 1061 1 5 . 1 1 2 2 SER CB C 2 66.930 66.930 63.945 2.985 19487 1062 1 5 . 1 1 2 2 SER H H 2 8.038 8.038 8.919 -0.881 19487 1063 1 5 . 1 1 3 3 ASP N N 3 122.561 122.561 120.667 1.894 19487 1064 1 5 . 1 1 3 3 ASP HA H 3 4.589 4.589 4.799 -0.210 19487 1065 1 5 . 1 1 3 3 ASP C C 3 175.831 175.831 176.396 -0.565 19487 1066 1 5 . 1 1 3 3 ASP CA C 3 57.207 57.207 55.379 1.828 19487 1067 1 5 . 1 1 3 3 ASP CB C 3 44.183 44.183 42.306 1.877 19487 1068 1 5 . 1 1 3 3 ASP H H 3 8.506 8.506 8.575 -0.069 19487 1069 1 5 . 1 1 4 4 LEU N N 4 123.656 123.656 120.129 3.527 19487 1070 1 5 . 1 1 4 4 LEU HA H 4 4.548 4.548 4.823 -0.275 19487 1071 1 5 . 1 1 4 4 LEU CA C 4 56.089 56.089 51.968 4.121 19487 1072 1 5 . 1 1 4 4 LEU H H 4 8.187 8.187 7.742 0.445 19487 1073 1 5 . 1 1 7 7 PRO HA H 7 4.361 4.361 4.642 -0.281 19487 1074 1 5 . 1 1 7 7 PRO C C 7 175.043 175.043 176.302 -1.259 19487 1075 1 5 . 1 1 7 7 PRO CA C 7 64.870 64.870 62.269 2.601 19487 1076 1 5 . 1 1 7 7 PRO CB C 7 35.143 35.143 32.729 2.414 19487 1077 1 5 . 1 1 8 8 SER N N 8 116.762 116.762 115.863 0.899 19487 1078 1 5 . 1 1 8 8 SER HA H 8 3.925 3.925 4.697 -0.772 19487 1079 1 5 . 1 1 8 8 SER CA C 8 60.475 60.475 55.492 4.982 19487 1080 1 5 . 1 1 8 8 SER CB C 8 65.096 65.096 63.885 1.211 19487 1081 1 5 . 1 1 8 8 SER H H 8 8.302 8.302 8.341 -0.039 19487 1082 1 5 . 1 1 11 11 ALA HA H 11 4.218 4.218 4.143 0.075 19487 1083 1 5 . 1 1 11 11 ALA C C 11 178.565 178.565 179.309 -0.744 19487 1084 1 5 . 1 1 11 11 ALA CA C 11 55.637 55.637 53.955 1.683 19487 1085 1 5 . 1 1 11 11 ALA CB C 11 21.863 21.863 18.469 3.394 19487 1086 1 5 . 1 1 12 12 ALA N N 12 125.155 125.155 121.527 3.628 19487 1087 1 5 . 1 1 12 12 ALA HA H 12 4.247 4.247 4.123 0.124 19487 1088 1 5 . 1 1 12 12 ALA C C 12 177.718 177.718 179.254 -1.536 19487 1089 1 5 . 1 1 12 12 ALA CA C 12 56.529 56.529 54.085 2.444 19487 1090 1 5 . 1 1 12 12 ALA CB C 12 22.033 22.033 18.100 3.933 19487 1091 1 5 . 1 1 12 12 ALA H H 12 8.596 8.596 8.440 0.156 19487 1092 1 5 . 1 1 13 13 ALA N N 13 122.474 122.474 120.805 1.669 19487 1093 1 5 . 1 1 13 13 ALA HA H 13 4.387 4.387 4.041 0.346 19487 1094 1 5 . 1 1 13 13 ALA C C 13 177.521 177.521 178.944 -1.423 19487 1095 1 5 . 1 1 13 13 ALA CA C 13 55.079 55.079 54.432 0.647 19487 1096 1 5 . 1 1 13 13 ALA CB C 13 22.732 22.732 18.234 4.498 19487 1097 1 5 . 1 1 13 13 ALA H H 13 8.117 8.117 7.590 0.527 19487 1098 1 5 . 1 1 14 14 THR N N 14 114.271 114.271 112.267 2.004 19487 1099 1 5 . 1 1 14 14 THR HA H 14 4.196 4.196 4.116 0.080 19487 1100 1 5 . 1 1 14 14 THR C C 14 174.319 174.319 175.598 -1.279 19487 1101 1 5 . 1 1 14 14 THR CA C 14 65.631 65.631 63.794 1.837 19487 1102 1 5 . 1 1 14 14 THR CB C 14 72.638 72.638 69.267 3.371 19487 1103 1 5 . 1 1 14 14 THR H H 14 8.202 8.202 7.612 0.590 19487 1104 1 5 . 1 1 15 15 ILE N N 15 125.881 125.881 120.907 4.974 19487 1105 1 5 . 1 1 15 15 ILE HA H 15 4.139 4.139 3.900 0.239 19487 1106 1 5 . 1 1 15 15 ILE C C 15 175.396 175.396 175.347 0.049 19487 1107 1 5 . 1 1 15 15 ILE CA C 15 64.025 64.025 61.661 2.364 19487 1108 1 5 . 1 1 15 15 ILE CB C 15 41.834 41.834 38.736 3.098 19487 1109 1 5 . 1 1 15 15 ILE H H 15 8.149 8.149 7.489 0.660 19487 1110 1 5 . 1 1 16 16 VAL N N 16 128.849 128.849 119.778 9.071 19487 1111 1 5 . 1 1 16 16 VAL HA H 16 4.104 4.104 3.981 0.123 19487 1112 1 5 . 1 1 16 16 VAL C C 16 175.476 175.476 174.989 0.487 19487 1113 1 5 . 1 1 16 16 VAL CA C 16 65.134 65.134 62.654 2.480 19487 1114 1 5 . 1 1 16 16 VAL CB C 16 35.473 35.473 31.992 3.481 19487 1115 1 5 . 1 1 16 16 VAL H H 16 8.453 8.453 7.821 0.632 19487 1116 1 5 . 1 1 17 17 LEU N N 17 128.264 128.264 125.380 2.884 19487 1117 1 5 . 1 1 17 17 LEU HA H 17 4.587 4.587 4.185 0.402 19487 1118 1 5 . 1 1 17 17 LEU CA C 17 55.193 55.193 51.088 4.105 19487 1119 1 5 . 1 1 17 17 LEU CB C 17 45.309 45.309 43.390 1.919 19487 1120 1 5 . 1 1 17 17 LEU H H 17 8.538 8.538 8.084 0.454 19487 1121 1 5 . 1 1 19 19 PRO HA H 19 4.200 4.200 4.347 -0.147 19487 1122 1 5 . 1 1 19 19 PRO C C 19 176.905 176.905 177.465 -0.560 19487 1123 1 5 . 1 1 19 19 PRO CA C 19 66.913 66.913 64.682 2.231 19487 1124 1 5 . 1 1 19 19 PRO CB C 19 35.066 35.066 31.998 3.068 19487 1125 1 5 . 1 1 20 20 ASN N N 20 111.422 111.422 113.377 -1.955 19487 1126 1 5 . 1 1 20 20 ASN HA H 20 3.984 3.984 4.676 -0.692 19487 1127 1 5 . 1 1 20 20 ASN C C 20 172.258 172.258 176.339 -4.081 19487 1128 1 5 . 1 1 20 20 ASN CA C 20 58.148 58.148 54.333 3.815 19487 1129 1 5 . 1 1 20 20 ASN CB C 20 39.841 39.841 37.982 1.859 19487 1130 1 5 . 1 1 20 20 ASN H H 20 8.543 8.543 8.503 0.040 19487 1131 1 5 . 1 1 21 21 TRP N N 21 117.593 117.593 119.439 -1.846 19487 1132 1 5 . 1 1 21 21 TRP HA H 21 5.082 5.082 4.757 0.325 19487 1133 1 5 . 1 1 21 21 TRP C C 21 175.610 175.610 175.085 0.525 19487 1134 1 5 . 1 1 21 21 TRP CA C 21 60.096 60.096 55.471 4.625 19487 1135 1 5 . 1 1 21 21 TRP CB C 21 34.695 34.695 29.516 5.179 19487 1136 1 5 . 1 1 21 21 TRP H H 21 7.400 7.400 7.732 -0.332 19487 1137 1 5 . 1 1 22 22 LYS N N 22 121.362 121.362 119.254 2.108 19487 1138 1 5 . 1 1 22 22 LYS HA H 22 4.532 4.532 4.488 0.044 19487 1139 1 5 . 1 1 22 22 LYS C C 22 174.616 174.616 175.313 -0.697 19487 1140 1 5 . 1 1 22 22 LYS CA C 22 57.332 57.332 53.405 3.927 19487 1141 1 5 . 1 1 22 22 LYS CB C 22 40.444 40.444 35.196 5.248 19487 1142 1 5 . 1 1 22 22 LYS H H 22 9.007 9.007 8.394 0.613 19487 1143 1 5 . 1 1 23 23 THR N N 23 108.761 108.761 111.302 -2.541 19487 1144 1 5 . 1 1 23 23 THR HA H 23 4.986 4.986 5.004 -0.018 19487 1145 1 5 . 1 1 23 23 THR C C 23 173.623 173.623 173.707 -0.084 19487 1146 1 5 . 1 1 23 23 THR CA C 23 62.791 62.791 59.945 2.846 19487 1147 1 5 . 1 1 23 23 THR CB C 23 74.679 74.679 69.879 4.800 19487 1148 1 5 . 1 1 23 23 THR H H 23 7.757 7.757 8.146 -0.389 19487 1149 1 5 . 1 1 24 24 ALA N N 24 124.455 124.455 127.845 -3.390 19487 1150 1 5 . 1 1 24 24 ALA HA H 24 4.332 4.332 4.747 -0.415 19487 1151 1 5 . 1 1 24 24 ALA C C 24 173.702 173.702 175.190 -1.488 19487 1152 1 5 . 1 1 24 24 ALA CA C 24 53.620 53.620 51.280 2.340 19487 1153 1 5 . 1 1 24 24 ALA CB C 24 24.927 24.927 21.901 3.026 19487 1154 1 5 . 1 1 24 24 ALA H H 24 8.352 8.352 8.234 0.118 19487 1155 1 5 . 1 1 25 25 ARG N N 25 115.144 115.144 118.852 -3.708 19487 1156 1 5 . 1 1 25 25 ARG HA H 25 5.339 5.339 5.356 -0.017 19487 1157 1 5 . 1 1 25 25 ARG C C 25 176.810 176.810 175.633 1.177 19487 1158 1 5 . 1 1 25 25 ARG CA C 25 56.600 56.600 54.400 2.200 19487 1159 1 5 . 1 1 25 25 ARG CB C 25 36.731 36.731 32.527 4.204 19487 1160 1 5 . 1 1 25 25 ARG H H 25 7.882 7.882 8.522 -0.640 19487 1161 1 5 . 1 1 26 26 ASP N N 26 126.595 126.595 122.745 3.850 19487 1162 1 5 . 1 1 26 26 ASP HA H 26 4.951 4.951 4.861 0.090 19487 1163 1 5 . 1 1 26 26 ASP CA C 26 55.811 55.811 53.430 2.381 19487 1164 1 5 . 1 1 26 26 ASP CB C 26 43.672 43.672 41.179 2.493 19487 1165 1 5 . 1 1 26 26 ASP H H 26 9.402 9.402 8.613 0.789 19487 1166 1 5 . 1 1 27 27 PRO HA H 27 4.398 4.398 4.188 0.210 19487 1167 1 5 . 1 1 27 27 PRO C C 27 177.645 177.645 177.239 0.406 19487 1168 1 5 . 1 1 27 27 PRO CA C 27 68.772 68.772 65.074 3.698 19487 1169 1 5 . 1 1 27 27 PRO CB C 27 35.111 35.111 31.807 3.304 19487 1170 1 5 . 1 1 28 28 GLU N N 28 115.064 115.064 118.276 -3.212 19487 1171 1 5 . 1 1 28 28 GLU HA H 28 4.434 4.434 4.372 0.062 19487 1172 1 5 . 1 1 28 28 GLU C C 28 176.259 176.259 176.500 -0.241 19487 1173 1 5 . 1 1 28 28 GLU CA C 28 58.837 58.837 55.710 3.127 19487 1174 1 5 . 1 1 28 28 GLU CB C 28 33.536 33.536 28.346 5.190 19487 1175 1 5 . 1 1 28 28 GLU H H 28 7.970 7.970 8.153 -0.183 19487 1176 1 5 . 1 1 29 29 GLY N N 29 107.797 107.797 108.703 -0.906 19487 1177 1 5 . 1 1 29 29 GLY C C 29 175.283 175.283 174.220 1.063 19487 1178 1 5 . 1 1 29 29 GLY CA C 29 48.501 48.501 45.867 2.635 19487 1179 1 5 . 1 1 29 29 GLY H H 29 8.445 8.445 7.882 0.563 19487 1180 1 5 . 1 1 30 30 LYS N N 30 124.471 124.471 119.962 4.509 19487 1181 1 5 . 1 1 30 30 LYS C C 30 176.712 176.712 174.490 2.222 19487 1182 1 5 . 1 1 30 30 LYS CA C 30 60.736 60.736 55.179 5.557 19487 1183 1 5 . 1 1 30 30 LYS CB C 30 35.661 35.661 33.678 1.983 19487 1184 1 5 . 1 1 30 30 LYS H H 30 9.011 9.011 7.392 1.619 19487 1185 1 5 . 1 1 31 31 ILE N N 31 125.370 125.370 123.452 1.918 19487 1186 1 5 . 1 1 31 31 ILE HA H 31 4.790 4.790 4.095 0.695 19487 1187 1 5 . 1 1 31 31 ILE C C 31 174.765 174.765 173.962 0.803 19487 1188 1 5 . 1 1 31 31 ILE CA C 31 64.312 64.312 59.801 4.511 19487 1189 1 5 . 1 1 31 31 ILE CB C 31 42.514 42.514 40.103 2.411 19487 1190 1 5 . 1 1 31 31 ILE H H 31 8.425 8.425 8.079 0.346 19487 1191 1 5 . 1 1 32 32 TYR N N 32 121.507 121.507 124.423 -2.916 19487 1192 1 5 . 1 1 32 32 TYR HA H 32 4.910 4.910 4.812 0.098 19487 1193 1 5 . 1 1 32 32 TYR C C 32 170.944 170.944 174.349 -3.405 19487 1194 1 5 . 1 1 32 32 TYR CA C 32 58.548 58.548 56.194 2.354 19487 1195 1 5 . 1 1 32 32 TYR CB C 32 42.647 42.647 41.611 1.036 19487 1196 1 5 . 1 1 32 32 TYR H H 32 8.673 8.673 8.746 -0.073 19487 1197 1 5 . 1 1 33 33 TYR N N 33 116.433 116.433 116.776 -0.343 19487 1198 1 5 . 1 1 33 33 TYR HA H 33 5.415 5.415 5.115 0.300 19487 1199 1 5 . 1 1 33 33 TYR C C 33 175.515 175.515 174.944 0.571 19487 1200 1 5 . 1 1 33 33 TYR CA C 33 59.550 59.550 56.246 3.304 19487 1201 1 5 . 1 1 33 33 TYR CB C 33 45.035 45.035 41.517 3.518 19487 1202 1 5 . 1 1 33 33 TYR H H 33 8.700 8.700 9.002 -0.302 19487 1203 1 5 . 1 1 34 34 TYR N N 34 117.980 117.980 116.939 1.041 19487 1204 1 5 . 1 1 34 34 TYR HA H 34 6.018 6.018 5.767 0.251 19487 1205 1 5 . 1 1 34 34 TYR C C 34 171.057 171.057 173.963 -2.906 19487 1206 1 5 . 1 1 34 34 TYR CA C 34 58.465 58.465 55.631 2.834 19487 1207 1 5 . 1 1 34 34 TYR CB C 34 46.750 46.750 41.145 5.605 19487 1208 1 5 . 1 1 34 34 TYR H H 34 9.324 9.324 9.170 0.154 19487 1209 1 5 . 1 1 35 35 HIS N N 35 124.333 124.333 124.009 0.324 19487 1210 1 5 . 1 1 35 35 HIS HA H 35 3.878 3.878 5.113 -1.235 19487 1211 1 5 . 1 1 35 35 HIS C C 35 178.739 178.739 175.204 3.535 19487 1212 1 5 . 1 1 35 35 HIS CA C 35 57.747 57.747 54.768 2.979 19487 1213 1 5 . 1 1 35 35 HIS CB C 35 35.302 35.302 33.274 2.028 19487 1214 1 5 . 1 1 35 35 HIS H H 35 7.704 7.704 9.309 -1.605 19487 1215 1 5 . 1 1 36 36 VAL N N 36 123.002 123.002 125.268 -2.266 19487 1216 1 5 . 1 1 36 36 VAL HA H 36 3.753 3.753 3.991 -0.238 19487 1217 1 5 . 1 1 36 36 VAL C C 36 176.638 176.638 176.361 0.277 19487 1218 1 5 . 1 1 36 36 VAL CA C 36 67.697 67.697 65.431 2.266 19487 1219 1 5 . 1 1 36 36 VAL CB C 36 35.060 35.060 31.558 3.502 19487 1220 1 5 . 1 1 36 36 VAL H H 36 8.559 8.559 8.642 -0.083 19487 1221 1 5 . 1 1 37 37 ILE N N 37 120.608 120.608 119.789 0.819 19487 1222 1 5 . 1 1 37 37 ILE HA H 37 4.194 4.194 3.810 0.384 19487 1223 1 5 . 1 1 37 37 ILE C C 37 178.269 178.269 177.578 0.691 19487 1224 1 5 . 1 1 37 37 ILE CA C 37 65.546 65.546 64.494 1.052 19487 1225 1 5 . 1 1 37 37 ILE CB C 37 41.259 41.259 37.904 3.355 19487 1226 1 5 . 1 1 37 37 ILE H H 37 8.904 8.904 7.190 1.714 19487 1227 1 5 . 1 1 38 38 THR N N 38 112.000 112.000 111.873 0.127 19487 1228 1 5 . 1 1 38 38 THR HA H 38 4.014 4.014 4.239 -0.225 19487 1229 1 5 . 1 1 38 38 THR C C 38 176.608 176.608 174.788 1.820 19487 1230 1 5 . 1 1 38 38 THR CA C 38 66.181 66.181 63.111 3.070 19487 1231 1 5 . 1 1 38 38 THR CB C 38 72.340 72.340 69.529 2.811 19487 1232 1 5 . 1 1 38 38 THR H H 38 8.942 8.942 7.405 1.537 19487 1233 1 5 . 1 1 39 39 ARG N N 39 113.683 113.683 118.123 -4.440 19487 1234 1 5 . 1 1 39 39 ARG HA H 39 4.019 4.019 4.111 -0.092 19487 1235 1 5 . 1 1 39 39 ARG C C 39 174.659 174.659 174.920 -0.261 19487 1236 1 5 . 1 1 39 39 ARG CA C 39 59.924 59.924 57.255 2.669 19487 1237 1 5 . 1 1 39 39 ARG CB C 39 28.994 28.994 27.217 1.777 19487 1238 1 5 . 1 1 39 39 ARG H H 39 8.111 8.111 7.914 0.197 19487 1239 1 5 . 1 1 40 40 GLN N N 40 118.822 118.822 117.848 0.974 19487 1240 1 5 . 1 1 40 40 GLN HA H 40 4.335 4.335 4.720 -0.385 19487 1241 1 5 . 1 1 40 40 GLN C C 40 174.969 174.969 175.166 -0.197 19487 1242 1 5 . 1 1 40 40 GLN CA C 40 59.216 59.216 54.462 4.754 19487 1243 1 5 . 1 1 40 40 GLN CB C 40 32.661 32.661 33.434 -0.773 19487 1244 1 5 . 1 1 40 40 GLN H H 40 7.740 7.740 7.994 -0.254 19487 1245 1 5 . 1 1 41 41 THR N N 41 110.403 110.403 114.640 -4.237 19487 1246 1 5 . 1 1 41 41 THR HA H 41 5.868 5.868 5.148 0.720 19487 1247 1 5 . 1 1 41 41 THR C C 41 174.918 174.918 173.121 1.797 19487 1248 1 5 . 1 1 41 41 THR CA C 41 62.191 62.191 61.051 1.140 19487 1249 1 5 . 1 1 41 41 THR CB C 41 76.145 76.145 70.527 5.618 19487 1250 1 5 . 1 1 41 41 THR H H 41 8.192 8.192 8.386 -0.194 19487 1251 1 5 . 1 1 42 42 GLN N N 42 113.850 113.850 126.083 -12.233 19487 1252 1 5 . 1 1 42 42 GLN HA H 42 4.785 4.785 4.918 -0.133 19487 1253 1 5 . 1 1 42 42 GLN C C 42 174.918 174.918 175.274 -0.356 19487 1254 1 5 . 1 1 42 42 GLN CA C 42 58.285 58.285 54.628 3.657 19487 1255 1 5 . 1 1 42 42 GLN CB C 42 35.073 35.073 30.549 4.524 19487 1256 1 5 . 1 1 42 42 GLN H H 42 9.120 9.120 8.759 0.361 19487 1257 1 5 . 1 1 43 43 TRP N N 43 120.166 120.166 125.459 -5.293 19487 1258 1 5 . 1 1 43 43 TRP HA H 43 5.119 5.119 5.132 -0.013 19487 1259 1 5 . 1 1 43 43 TRP C C 43 176.115 176.115 177.459 -1.344 19487 1260 1 5 . 1 1 43 43 TRP CA C 43 62.184 62.184 58.517 3.667 19487 1261 1 5 . 1 1 43 43 TRP CB C 43 34.495 34.495 30.089 4.406 19487 1262 1 5 . 1 1 43 43 TRP H H 43 9.019 9.019 8.951 0.068 19487 1263 1 5 . 1 1 44 44 ASP N N 44 115.913 115.913 118.772 -2.859 19487 1264 1 5 . 1 1 44 44 ASP HA H 44 5.113 5.113 4.996 0.117 19487 1265 1 5 . 1 1 44 44 ASP CA C 44 54.787 54.787 54.101 0.686 19487 1266 1 5 . 1 1 44 44 ASP CB C 44 43.540 43.540 40.691 2.849 19487 1267 1 5 . 1 1 44 44 ASP H H 44 7.976 7.976 8.470 -0.494 19487 1268 1 5 . 1 1 46 46 PRO HA H 46 3.808 3.808 4.433 -0.625 19487 1269 1 5 . 1 1 46 46 PRO C C 46 175.510 175.510 176.701 -1.191 19487 1270 1 5 . 1 1 46 46 PRO CA C 46 64.219 64.219 62.303 1.916 19487 1271 1 5 . 1 1 46 46 PRO CB C 46 33.572 33.572 32.711 0.862 19487 1272 1 5 . 1 1 47 47 THR N N 47 112.072 112.072 114.287 -2.215 19487 1273 1 5 . 1 1 47 47 THR HA H 47 4.234 4.234 4.567 -0.333 19487 1274 1 5 . 1 1 47 47 THR C C 47 174.205 174.205 175.604 -1.399 19487 1275 1 5 . 1 1 47 47 THR CA C 47 63.797 63.797 61.940 1.857 19487 1276 1 5 . 1 1 47 47 THR CB C 47 73.250 73.250 69.338 3.912 19487 1277 1 5 . 1 1 47 47 THR H H 47 7.690 7.690 8.230 -0.540 19487 1278 1 5 . 1 1 48 48 TRP N N 48 123.257 123.257 122.254 1.003 19487 1279 1 5 . 1 1 48 48 TRP HA H 48 4.404 4.404 4.276 0.128 19487 1280 1 5 . 1 1 48 48 TRP C C 48 175.934 175.934 175.800 0.134 19487 1281 1 5 . 1 1 48 48 TRP CA C 48 60.797 60.797 59.151 1.646 19487 1282 1 5 . 1 1 48 48 TRP CB C 48 32.345 32.345 29.364 2.981 19487 1283 1 5 . 1 1 48 48 TRP H H 48 8.480 8.480 8.771 -0.291 19487 1284 1 5 . 1 1 49 49 GLU N N 49 122.782 122.782 117.435 5.347 19487 1285 1 5 . 1 1 49 49 GLU HA H 49 4.273 4.273 4.568 -0.295 19487 1286 1 5 . 1 1 49 49 GLU C C 49 175.847 175.847 174.909 0.938 19487 1287 1 5 . 1 1 49 49 GLU CA C 49 59.213 59.213 55.679 3.534 19487 1288 1 5 . 1 1 49 49 GLU CB C 49 33.752 33.752 31.551 2.201 19487 1289 1 5 . 1 1 49 49 GLU H H 49 8.296 8.296 7.997 0.299 19487 1290 1 5 . 1 1 50 50 SER N N 50 118.313 118.313 117.568 0.745 19487 1291 1 5 . 1 1 50 50 SER HA H 50 4.613 4.613 4.871 -0.258 19487 1292 1 5 . 1 1 50 50 SER CA C 50 47.633 47.633 55.497 -7.864 19487 1293 1 5 . 1 1 50 50 SER CB C 50 66.397 66.397 63.777 2.620 19487 1294 1 5 . 1 1 50 50 SER H H 50 8.344 8.344 8.265 0.079 19487 1295 1 5 . 1 1 51 51 PRO HA H 51 4.400 4.400 4.397 0.003 19487 1296 1 5 . 1 1 51 51 PRO C C 51 177.481 177.481 178.188 -0.707 19487 1297 1 5 . 1 1 51 51 PRO CA C 51 66.571 66.571 62.632 3.939 19487 1298 1 5 . 1 1 51 51 PRO CB C 51 35.162 35.162 32.433 2.729 19487 1299 1 5 . 1 1 52 52 GLY N N 52 109.070 109.070 107.585 1.485 19487 1300 1 5 . 1 1 52 52 GLY C C 52 173.969 173.969 175.942 -1.973 19487 1301 1 5 . 1 1 52 52 GLY CA C 52 48.147 48.147 46.712 1.435 19487 1302 1 5 . 1 1 52 52 GLY H H 52 8.345 8.345 8.650 -0.305 19487 1303 1 5 . 1 1 53 53 ASP N N 53 120.558 120.558 118.888 1.670 19487 1304 1 5 . 1 1 53 53 ASP HA H 53 4.589 4.589 4.435 0.154 19487 1305 1 5 . 1 1 53 53 ASP C C 53 176.133 176.133 177.021 -0.888 19487 1306 1 5 . 1 1 53 53 ASP CA C 53 57.417 57.417 55.749 1.668 19487 1307 1 5 . 1 1 53 53 ASP CB C 53 44.256 44.256 40.484 3.772 19487 1308 1 5 . 1 1 53 53 ASP H H 53 8.216 8.216 8.340 -0.124 19487 1309 1 5 . 1 1 54 54 ASP N N 54 120.383 120.383 120.199 0.184 19487 1310 1 5 . 1 1 54 54 ASP HA H 54 4.552 4.552 4.471 0.081 19487 1311 1 5 . 1 1 54 54 ASP C C 54 175.904 175.904 175.842 0.062 19487 1312 1 5 . 1 1 54 54 ASP CA C 54 57.311 57.311 54.732 2.579 19487 1313 1 5 . 1 1 54 54 ASP CB C 54 44.107 44.107 41.189 2.918 19487 1314 1 5 . 1 1 54 54 ASP H H 54 8.338 8.338 7.924 0.414 19487 1315 1 5 . 1 1 55 55 ALA N N 55 124.730 124.730 122.666 2.064 19487 1316 1 5 . 1 1 55 55 ALA HA H 55 4.383 4.383 4.253 0.130 19487 1317 1 5 . 1 1 55 55 ALA C C 55 176.939 176.939 176.219 0.720 19487 1318 1 5 . 1 1 55 55 ALA CA C 55 55.436 55.436 53.124 2.312 19487 1319 1 5 . 1 1 55 55 ALA CB C 55 22.413 22.413 18.360 4.053 19487 1320 1 5 . 1 1 55 55 ALA H H 55 8.153 8.153 7.816 0.337 19487 1321 1 6 . 1 1 2 2 SER N N 2 117.407 117.407 114.799 2.608 19487 1322 1 6 . 1 1 2 2 SER HA H 2 4.489 4.489 4.181 0.308 19487 1323 1 6 . 1 1 2 2 SER C C 2 176.003 176.003 175.248 0.755 19487 1324 1 6 . 1 1 2 2 SER CA C 2 61.265 61.265 60.279 0.986 19487 1325 1 6 . 1 1 2 2 SER CB C 2 66.930 66.930 63.275 3.655 19487 1326 1 6 . 1 1 2 2 SER H H 2 8.038 8.038 8.448 -0.410 19487 1327 1 6 . 1 1 3 3 ASP N N 3 122.561 122.561 120.971 1.590 19487 1328 1 6 . 1 1 3 3 ASP HA H 3 4.589 4.589 4.651 -0.062 19487 1329 1 6 . 1 1 3 3 ASP C C 3 175.831 175.831 175.685 0.146 19487 1330 1 6 . 1 1 3 3 ASP CA C 3 57.207 57.207 55.267 1.940 19487 1331 1 6 . 1 1 3 3 ASP CB C 3 44.183 44.183 40.969 3.214 19487 1332 1 6 . 1 1 3 3 ASP H H 3 8.506 8.506 8.634 -0.128 19487 1333 1 6 . 1 1 4 4 LEU N N 4 123.656 123.656 121.111 2.545 19487 1334 1 6 . 1 1 4 4 LEU HA H 4 4.548 4.548 4.749 -0.201 19487 1335 1 6 . 1 1 4 4 LEU CA C 4 56.089 56.089 51.900 4.189 19487 1336 1 6 . 1 1 4 4 LEU H H 4 8.187 8.187 7.617 0.570 19487 1337 1 6 . 1 1 7 7 PRO HA H 7 4.361 4.361 4.716 -0.355 19487 1338 1 6 . 1 1 7 7 PRO C C 7 175.043 175.043 176.388 -1.345 19487 1339 1 6 . 1 1 7 7 PRO CA C 7 64.870 64.870 62.435 2.435 19487 1340 1 6 . 1 1 7 7 PRO CB C 7 35.143 35.143 32.590 2.553 19487 1341 1 6 . 1 1 8 8 SER N N 8 116.762 116.762 116.739 0.023 19487 1342 1 6 . 1 1 8 8 SER HA H 8 3.925 3.925 4.806 -0.881 19487 1343 1 6 . 1 1 8 8 SER CA C 8 60.475 60.475 55.771 4.704 19487 1344 1 6 . 1 1 8 8 SER CB C 8 65.096 65.096 63.418 1.678 19487 1345 1 6 . 1 1 8 8 SER H H 8 8.302 8.302 8.214 0.088 19487 1346 1 6 . 1 1 11 11 ALA HA H 11 4.218 4.218 4.087 0.131 19487 1347 1 6 . 1 1 11 11 ALA C C 11 178.565 178.565 179.243 -0.678 19487 1348 1 6 . 1 1 11 11 ALA CA C 11 55.637 55.637 54.103 1.534 19487 1349 1 6 . 1 1 11 11 ALA CB C 11 21.863 21.863 18.450 3.413 19487 1350 1 6 . 1 1 12 12 ALA N N 12 125.155 125.155 120.973 4.182 19487 1351 1 6 . 1 1 12 12 ALA HA H 12 4.247 4.247 4.070 0.177 19487 1352 1 6 . 1 1 12 12 ALA C C 12 177.718 177.718 179.345 -1.627 19487 1353 1 6 . 1 1 12 12 ALA CA C 12 56.529 56.529 54.038 2.491 19487 1354 1 6 . 1 1 12 12 ALA CB C 12 22.033 22.033 17.986 4.047 19487 1355 1 6 . 1 1 12 12 ALA H H 12 8.596 8.596 8.449 0.147 19487 1356 1 6 . 1 1 13 13 ALA N N 13 122.474 122.474 119.953 2.521 19487 1357 1 6 . 1 1 13 13 ALA HA H 13 4.387 4.387 3.883 0.504 19487 1358 1 6 . 1 1 13 13 ALA C C 13 177.521 177.521 178.685 -1.164 19487 1359 1 6 . 1 1 13 13 ALA CA C 13 55.079 55.079 54.311 0.768 19487 1360 1 6 . 1 1 13 13 ALA CB C 13 22.732 22.732 18.212 4.520 19487 1361 1 6 . 1 1 13 13 ALA H H 13 8.117 8.117 7.332 0.785 19487 1362 1 6 . 1 1 14 14 THR N N 14 114.271 114.271 111.817 2.454 19487 1363 1 6 . 1 1 14 14 THR HA H 14 4.196 4.196 4.161 0.035 19487 1364 1 6 . 1 1 14 14 THR C C 14 174.319 174.319 175.428 -1.109 19487 1365 1 6 . 1 1 14 14 THR CA C 14 65.631 65.631 63.791 1.840 19487 1366 1 6 . 1 1 14 14 THR CB C 14 72.638 72.638 69.405 3.233 19487 1367 1 6 . 1 1 14 14 THR H H 14 8.202 8.202 7.433 0.769 19487 1368 1 6 . 1 1 15 15 ILE N N 15 125.881 125.881 120.510 5.371 19487 1369 1 6 . 1 1 15 15 ILE HA H 15 4.139 4.139 3.965 0.174 19487 1370 1 6 . 1 1 15 15 ILE C C 15 175.396 175.396 175.704 -0.308 19487 1371 1 6 . 1 1 15 15 ILE CA C 15 64.025 64.025 61.163 2.862 19487 1372 1 6 . 1 1 15 15 ILE CB C 15 41.834 41.834 38.840 2.994 19487 1373 1 6 . 1 1 15 15 ILE H H 15 8.149 8.149 7.481 0.668 19487 1374 1 6 . 1 1 16 16 VAL N N 16 128.849 128.849 118.945 9.904 19487 1375 1 6 . 1 1 16 16 VAL HA H 16 4.104 4.104 4.003 0.101 19487 1376 1 6 . 1 1 16 16 VAL C C 16 175.476 175.476 175.392 0.084 19487 1377 1 6 . 1 1 16 16 VAL CA C 16 65.134 65.134 62.286 2.848 19487 1378 1 6 . 1 1 16 16 VAL CB C 16 35.473 35.473 32.214 3.259 19487 1379 1 6 . 1 1 16 16 VAL H H 16 8.453 8.453 7.857 0.596 19487 1380 1 6 . 1 1 17 17 LEU N N 17 128.264 128.264 124.184 4.080 19487 1381 1 6 . 1 1 17 17 LEU HA H 17 4.587 4.587 4.922 -0.335 19487 1382 1 6 . 1 1 17 17 LEU CA C 17 55.193 55.193 51.501 3.692 19487 1383 1 6 . 1 1 17 17 LEU CB C 17 45.309 45.309 44.452 0.857 19487 1384 1 6 . 1 1 17 17 LEU H H 17 8.538 8.538 8.407 0.131 19487 1385 1 6 . 1 1 19 19 PRO HA H 19 4.200 4.200 4.535 -0.335 19487 1386 1 6 . 1 1 19 19 PRO C C 19 176.905 176.905 177.395 -0.490 19487 1387 1 6 . 1 1 19 19 PRO CA C 19 66.913 66.913 64.432 2.481 19487 1388 1 6 . 1 1 19 19 PRO CB C 19 35.066 35.066 32.012 3.054 19487 1389 1 6 . 1 1 20 20 ASN N N 20 111.422 111.422 114.308 -2.886 19487 1390 1 6 . 1 1 20 20 ASN HA H 20 3.984 3.984 4.684 -0.700 19487 1391 1 6 . 1 1 20 20 ASN C C 20 172.258 172.258 176.318 -4.060 19487 1392 1 6 . 1 1 20 20 ASN CA C 20 58.148 58.148 53.706 4.442 19487 1393 1 6 . 1 1 20 20 ASN CB C 20 39.841 39.841 38.035 1.806 19487 1394 1 6 . 1 1 20 20 ASN H H 20 8.543 8.543 8.440 0.103 19487 1395 1 6 . 1 1 21 21 TRP N N 21 117.593 117.593 119.091 -1.498 19487 1396 1 6 . 1 1 21 21 TRP HA H 21 5.082 5.082 4.866 0.216 19487 1397 1 6 . 1 1 21 21 TRP C C 21 175.610 175.610 175.700 -0.090 19487 1398 1 6 . 1 1 21 21 TRP CA C 21 60.096 60.096 55.393 4.703 19487 1399 1 6 . 1 1 21 21 TRP CB C 21 34.695 34.695 29.566 5.129 19487 1400 1 6 . 1 1 21 21 TRP H H 21 7.400 7.400 8.075 -0.675 19487 1401 1 6 . 1 1 22 22 LYS N N 22 121.362 121.362 119.661 1.701 19487 1402 1 6 . 1 1 22 22 LYS HA H 22 4.532 4.532 4.496 0.036 19487 1403 1 6 . 1 1 22 22 LYS C C 22 174.616 174.616 175.143 -0.527 19487 1404 1 6 . 1 1 22 22 LYS CA C 22 57.332 57.332 53.347 3.985 19487 1405 1 6 . 1 1 22 22 LYS CB C 22 40.444 40.444 36.852 3.592 19487 1406 1 6 . 1 1 22 22 LYS H H 22 9.007 9.007 9.125 -0.118 19487 1407 1 6 . 1 1 23 23 THR N N 23 108.761 108.761 111.103 -2.342 19487 1408 1 6 . 1 1 23 23 THR HA H 23 4.986 4.986 5.254 -0.268 19487 1409 1 6 . 1 1 23 23 THR C C 23 173.623 173.623 173.635 -0.012 19487 1410 1 6 . 1 1 23 23 THR CA C 23 62.791 62.791 59.942 2.849 19487 1411 1 6 . 1 1 23 23 THR CB C 23 74.679 74.679 69.549 5.130 19487 1412 1 6 . 1 1 23 23 THR H H 23 7.757 7.757 8.118 -0.361 19487 1413 1 6 . 1 1 24 24 ALA N N 24 124.455 124.455 127.598 -3.143 19487 1414 1 6 . 1 1 24 24 ALA HA H 24 4.332 4.332 4.842 -0.510 19487 1415 1 6 . 1 1 24 24 ALA C C 24 173.702 173.702 174.795 -1.093 19487 1416 1 6 . 1 1 24 24 ALA CA C 24 53.620 53.620 50.903 2.717 19487 1417 1 6 . 1 1 24 24 ALA CB C 24 24.927 24.927 22.332 2.595 19487 1418 1 6 . 1 1 24 24 ALA H H 24 8.352 8.352 8.753 -0.401 19487 1419 1 6 . 1 1 25 25 ARG N N 25 115.144 115.144 120.196 -5.052 19487 1420 1 6 . 1 1 25 25 ARG HA H 25 5.339 5.339 5.141 0.198 19487 1421 1 6 . 1 1 25 25 ARG C C 25 176.810 176.810 174.826 1.984 19487 1422 1 6 . 1 1 25 25 ARG CA C 25 56.600 56.600 55.254 1.346 19487 1423 1 6 . 1 1 25 25 ARG CB C 25 36.731 36.731 33.261 3.470 19487 1424 1 6 . 1 1 25 25 ARG H H 25 7.882 7.882 8.556 -0.674 19487 1425 1 6 . 1 1 26 26 ASP N N 26 126.595 126.595 126.314 0.281 19487 1426 1 6 . 1 1 26 26 ASP HA H 26 4.951 4.951 5.137 -0.186 19487 1427 1 6 . 1 1 26 26 ASP CA C 26 55.811 55.811 52.389 3.422 19487 1428 1 6 . 1 1 26 26 ASP CB C 26 43.672 43.672 41.257 2.415 19487 1429 1 6 . 1 1 26 26 ASP H H 26 9.402 9.402 8.714 0.688 19487 1430 1 6 . 1 1 27 27 PRO HA H 27 4.398 4.398 4.152 0.246 19487 1431 1 6 . 1 1 27 27 PRO C C 27 177.645 177.645 176.803 0.842 19487 1432 1 6 . 1 1 27 27 PRO CA C 27 68.772 68.772 65.238 3.534 19487 1433 1 6 . 1 1 27 27 PRO CB C 27 35.111 35.111 31.728 3.383 19487 1434 1 6 . 1 1 28 28 GLU N N 28 115.064 115.064 117.930 -2.866 19487 1435 1 6 . 1 1 28 28 GLU HA H 28 4.434 4.434 4.377 0.057 19487 1436 1 6 . 1 1 28 28 GLU C C 28 176.259 176.259 176.575 -0.316 19487 1437 1 6 . 1 1 28 28 GLU CA C 28 58.837 58.837 55.471 3.366 19487 1438 1 6 . 1 1 28 28 GLU CB C 28 33.536 33.536 27.518 6.018 19487 1439 1 6 . 1 1 28 28 GLU H H 28 7.970 7.970 8.410 -0.440 19487 1440 1 6 . 1 1 29 29 GLY N N 29 107.797 107.797 107.910 -0.113 19487 1441 1 6 . 1 1 29 29 GLY C C 29 175.283 175.283 174.373 0.910 19487 1442 1 6 . 1 1 29 29 GLY CA C 29 48.501 48.501 46.125 2.376 19487 1443 1 6 . 1 1 29 29 GLY H H 29 8.445 8.445 7.656 0.789 19487 1444 1 6 . 1 1 30 30 LYS N N 30 124.471 124.471 120.241 4.230 19487 1445 1 6 . 1 1 30 30 LYS C C 30 176.712 176.712 174.580 2.132 19487 1446 1 6 . 1 1 30 30 LYS CA C 30 60.736 60.736 53.990 6.745 19487 1447 1 6 . 1 1 30 30 LYS CB C 30 35.661 35.661 33.687 1.974 19487 1448 1 6 . 1 1 30 30 LYS H H 30 9.011 9.011 7.388 1.623 19487 1449 1 6 . 1 1 31 31 ILE N N 31 125.370 125.370 122.450 2.920 19487 1450 1 6 . 1 1 31 31 ILE HA H 31 4.790 4.790 4.118 0.672 19487 1451 1 6 . 1 1 31 31 ILE C C 31 174.765 174.765 174.258 0.507 19487 1452 1 6 . 1 1 31 31 ILE CA C 31 64.312 64.312 59.894 4.418 19487 1453 1 6 . 1 1 31 31 ILE CB C 31 42.514 42.514 39.839 2.675 19487 1454 1 6 . 1 1 31 31 ILE H H 31 8.425 8.425 8.119 0.306 19487 1455 1 6 . 1 1 32 32 TYR N N 32 121.507 121.507 125.560 -4.053 19487 1456 1 6 . 1 1 32 32 TYR HA H 32 4.910 4.910 4.458 0.452 19487 1457 1 6 . 1 1 32 32 TYR C C 32 170.944 170.944 174.009 -3.065 19487 1458 1 6 . 1 1 32 32 TYR CA C 32 58.548 58.548 56.010 2.538 19487 1459 1 6 . 1 1 32 32 TYR CB C 32 42.647 42.647 41.677 0.970 19487 1460 1 6 . 1 1 32 32 TYR H H 32 8.673 8.673 9.037 -0.364 19487 1461 1 6 . 1 1 33 33 TYR N N 33 116.433 116.433 116.319 0.114 19487 1462 1 6 . 1 1 33 33 TYR HA H 33 5.415 5.415 5.003 0.412 19487 1463 1 6 . 1 1 33 33 TYR C C 33 175.515 175.515 174.847 0.668 19487 1464 1 6 . 1 1 33 33 TYR CA C 33 59.550 59.550 55.344 4.206 19487 1465 1 6 . 1 1 33 33 TYR CB C 33 45.035 45.035 40.313 4.722 19487 1466 1 6 . 1 1 33 33 TYR H H 33 8.700 8.700 8.045 0.655 19487 1467 1 6 . 1 1 34 34 TYR N N 34 117.980 117.980 120.674 -2.694 19487 1468 1 6 . 1 1 34 34 TYR HA H 34 6.018 6.018 5.349 0.669 19487 1469 1 6 . 1 1 34 34 TYR C C 34 171.057 171.057 174.838 -3.781 19487 1470 1 6 . 1 1 34 34 TYR CA C 34 58.465 58.465 56.761 1.704 19487 1471 1 6 . 1 1 34 34 TYR CB C 34 46.750 46.750 42.033 4.717 19487 1472 1 6 . 1 1 34 34 TYR H H 34 9.324 9.324 9.210 0.114 19487 1473 1 6 . 1 1 35 35 HIS N N 35 124.333 124.333 122.163 2.170 19487 1474 1 6 . 1 1 35 35 HIS HA H 35 3.878 3.878 5.162 -1.284 19487 1475 1 6 . 1 1 35 35 HIS C C 35 178.739 178.739 175.968 2.771 19487 1476 1 6 . 1 1 35 35 HIS CA C 35 57.747 57.747 55.621 2.126 19487 1477 1 6 . 1 1 35 35 HIS CB C 35 35.302 35.302 31.210 4.092 19487 1478 1 6 . 1 1 35 35 HIS H H 35 7.704 7.704 9.681 -1.977 19487 1479 1 6 . 1 1 36 36 VAL N N 36 123.002 123.002 123.204 -0.202 19487 1480 1 6 . 1 1 36 36 VAL HA H 36 3.753 3.753 3.998 -0.245 19487 1481 1 6 . 1 1 36 36 VAL C C 36 176.638 176.638 177.127 -0.489 19487 1482 1 6 . 1 1 36 36 VAL CA C 36 67.697 67.697 65.246 2.451 19487 1483 1 6 . 1 1 36 36 VAL CB C 36 35.060 35.060 32.022 3.038 19487 1484 1 6 . 1 1 36 36 VAL H H 36 8.559 8.559 8.565 -0.006 19487 1485 1 6 . 1 1 37 37 ILE N N 37 120.608 120.608 119.109 1.499 19487 1486 1 6 . 1 1 37 37 ILE HA H 37 4.194 4.194 3.904 0.290 19487 1487 1 6 . 1 1 37 37 ILE C C 37 178.269 178.269 178.045 0.224 19487 1488 1 6 . 1 1 37 37 ILE CA C 37 65.546 65.546 64.913 0.633 19487 1489 1 6 . 1 1 37 37 ILE CB C 37 41.259 41.259 37.481 3.778 19487 1490 1 6 . 1 1 37 37 ILE H H 37 8.904 8.904 8.158 0.746 19487 1491 1 6 . 1 1 38 38 THR N N 38 112.000 112.000 110.111 1.889 19487 1492 1 6 . 1 1 38 38 THR HA H 38 4.014 4.014 4.136 -0.122 19487 1493 1 6 . 1 1 38 38 THR C C 38 176.608 176.608 174.770 1.838 19487 1494 1 6 . 1 1 38 38 THR CA C 38 66.181 66.181 62.664 3.517 19487 1495 1 6 . 1 1 38 38 THR CB C 38 72.340 72.340 68.966 3.374 19487 1496 1 6 . 1 1 38 38 THR H H 38 8.942 8.942 8.129 0.813 19487 1497 1 6 . 1 1 39 39 ARG N N 39 113.683 113.683 118.636 -4.953 19487 1498 1 6 . 1 1 39 39 ARG HA H 39 4.019 4.019 4.144 -0.125 19487 1499 1 6 . 1 1 39 39 ARG C C 39 174.659 174.659 174.989 -0.330 19487 1500 1 6 . 1 1 39 39 ARG CA C 39 59.924 59.924 57.268 2.656 19487 1501 1 6 . 1 1 39 39 ARG CB C 39 28.994 28.994 27.577 1.417 19487 1502 1 6 . 1 1 39 39 ARG H H 39 8.111 8.111 7.883 0.228 19487 1503 1 6 . 1 1 40 40 GLN N N 40 118.822 118.822 116.792 2.030 19487 1504 1 6 . 1 1 40 40 GLN HA H 40 4.335 4.335 4.539 -0.204 19487 1505 1 6 . 1 1 40 40 GLN C C 40 174.969 174.969 174.002 0.967 19487 1506 1 6 . 1 1 40 40 GLN CA C 40 59.216 59.216 54.403 4.813 19487 1507 1 6 . 1 1 40 40 GLN CB C 40 32.661 32.661 33.046 -0.385 19487 1508 1 6 . 1 1 40 40 GLN H H 40 7.740 7.740 7.841 -0.101 19487 1509 1 6 . 1 1 41 41 THR N N 41 110.403 110.403 114.499 -4.096 19487 1510 1 6 . 1 1 41 41 THR HA H 41 5.868 5.868 5.256 0.612 19487 1511 1 6 . 1 1 41 41 THR C C 41 174.918 174.918 172.871 2.047 19487 1512 1 6 . 1 1 41 41 THR CA C 41 62.191 62.191 60.306 1.885 19487 1513 1 6 . 1 1 41 41 THR CB C 41 76.145 76.145 70.200 5.945 19487 1514 1 6 . 1 1 41 41 THR H H 41 8.192 8.192 8.277 -0.085 19487 1515 1 6 . 1 1 42 42 GLN N N 42 113.850 113.850 125.078 -11.228 19487 1516 1 6 . 1 1 42 42 GLN HA H 42 4.785 4.785 4.429 0.356 19487 1517 1 6 . 1 1 42 42 GLN C C 42 174.918 174.918 174.323 0.595 19487 1518 1 6 . 1 1 42 42 GLN CA C 42 58.285 58.285 54.362 3.923 19487 1519 1 6 . 1 1 42 42 GLN CB C 42 35.073 35.073 30.951 4.122 19487 1520 1 6 . 1 1 42 42 GLN H H 42 9.120 9.120 8.416 0.704 19487 1521 1 6 . 1 1 43 43 TRP N N 43 120.166 120.166 125.069 -4.903 19487 1522 1 6 . 1 1 43 43 TRP HA H 43 5.119 5.119 4.681 0.438 19487 1523 1 6 . 1 1 43 43 TRP C C 43 176.115 176.115 177.024 -0.909 19487 1524 1 6 . 1 1 43 43 TRP CA C 43 62.184 62.184 58.181 4.003 19487 1525 1 6 . 1 1 43 43 TRP CB C 43 34.495 34.495 30.056 4.439 19487 1526 1 6 . 1 1 43 43 TRP H H 43 9.019 9.019 8.362 0.657 19487 1527 1 6 . 1 1 44 44 ASP N N 44 115.913 115.913 118.757 -2.844 19487 1528 1 6 . 1 1 44 44 ASP HA H 44 5.113 5.113 4.955 0.158 19487 1529 1 6 . 1 1 44 44 ASP CA C 44 54.787 54.787 54.909 -0.122 19487 1530 1 6 . 1 1 44 44 ASP CB C 44 43.540 43.540 40.240 3.300 19487 1531 1 6 . 1 1 44 44 ASP H H 44 7.976 7.976 8.304 -0.328 19487 1532 1 6 . 1 1 46 46 PRO HA H 46 3.808 3.808 4.365 -0.557 19487 1533 1 6 . 1 1 46 46 PRO C C 46 175.510 175.510 176.816 -1.306 19487 1534 1 6 . 1 1 46 46 PRO CA C 46 64.219 64.219 62.713 1.506 19487 1535 1 6 . 1 1 46 46 PRO CB C 46 33.572 33.572 32.252 1.320 19487 1536 1 6 . 1 1 47 47 THR N N 47 112.072 112.072 114.623 -2.551 19487 1537 1 6 . 1 1 47 47 THR HA H 47 4.234 4.234 3.586 0.648 19487 1538 1 6 . 1 1 47 47 THR C C 47 174.205 174.205 176.156 -1.951 19487 1539 1 6 . 1 1 47 47 THR CA C 47 63.797 63.797 61.521 2.276 19487 1540 1 6 . 1 1 47 47 THR CB C 47 73.250 73.250 68.975 4.275 19487 1541 1 6 . 1 1 47 47 THR H H 47 7.690 7.690 8.027 -0.337 19487 1542 1 6 . 1 1 48 48 TRP N N 48 123.257 123.257 118.473 4.784 19487 1543 1 6 . 1 1 48 48 TRP HA H 48 4.404 4.404 4.252 0.152 19487 1544 1 6 . 1 1 48 48 TRP C C 48 175.934 175.934 176.872 -0.938 19487 1545 1 6 . 1 1 48 48 TRP CA C 48 60.797 60.797 58.918 1.879 19487 1546 1 6 . 1 1 48 48 TRP CB C 48 32.345 32.345 28.700 3.645 19487 1547 1 6 . 1 1 48 48 TRP H H 48 8.480 8.480 7.112 1.368 19487 1548 1 6 . 1 1 49 49 GLU N N 49 122.782 122.782 118.641 4.141 19487 1549 1 6 . 1 1 49 49 GLU HA H 49 4.273 4.273 4.608 -0.335 19487 1550 1 6 . 1 1 49 49 GLU C C 49 175.847 175.847 174.968 0.879 19487 1551 1 6 . 1 1 49 49 GLU CA C 49 59.213 59.213 55.643 3.570 19487 1552 1 6 . 1 1 49 49 GLU CB C 49 33.752 33.752 31.914 1.838 19487 1553 1 6 . 1 1 49 49 GLU H H 49 8.296 8.296 7.871 0.425 19487 1554 1 6 . 1 1 50 50 SER N N 50 118.313 118.313 117.827 0.486 19487 1555 1 6 . 1 1 50 50 SER HA H 50 4.613 4.613 4.808 -0.195 19487 1556 1 6 . 1 1 50 50 SER CA C 50 47.633 47.633 55.726 -8.093 19487 1557 1 6 . 1 1 50 50 SER CB C 50 66.397 66.397 63.292 3.105 19487 1558 1 6 . 1 1 50 50 SER H H 50 8.344 8.344 8.437 -0.093 19487 1559 1 6 . 1 1 51 51 PRO HA H 51 4.400 4.400 4.523 -0.123 19487 1560 1 6 . 1 1 51 51 PRO C C 51 177.481 177.481 178.116 -0.635 19487 1561 1 6 . 1 1 51 51 PRO CA C 51 66.571 66.571 62.522 4.049 19487 1562 1 6 . 1 1 51 51 PRO CB C 51 35.162 35.162 32.739 2.424 19487 1563 1 6 . 1 1 52 52 GLY N N 52 109.070 109.070 107.626 1.444 19487 1564 1 6 . 1 1 52 52 GLY C C 52 173.969 173.969 175.600 -1.631 19487 1565 1 6 . 1 1 52 52 GLY CA C 52 48.147 48.147 46.684 1.463 19487 1566 1 6 . 1 1 52 52 GLY H H 52 8.345 8.345 8.596 -0.251 19487 1567 1 6 . 1 1 53 53 ASP N N 53 120.558 120.558 118.977 1.581 19487 1568 1 6 . 1 1 53 53 ASP HA H 53 4.589 4.589 4.491 0.098 19487 1569 1 6 . 1 1 53 53 ASP C C 53 176.133 176.133 177.077 -0.944 19487 1570 1 6 . 1 1 53 53 ASP CA C 53 57.417 57.417 56.373 1.044 19487 1571 1 6 . 1 1 53 53 ASP CB C 53 44.256 44.256 40.809 3.447 19487 1572 1 6 . 1 1 53 53 ASP H H 53 8.216 8.216 8.336 -0.120 19487 1573 1 6 . 1 1 54 54 ASP N N 54 120.383 120.383 118.535 1.848 19487 1574 1 6 . 1 1 54 54 ASP HA H 54 4.552 4.552 4.654 -0.102 19487 1575 1 6 . 1 1 54 54 ASP C C 54 175.904 175.904 176.125 -0.221 19487 1576 1 6 . 1 1 54 54 ASP CA C 54 57.311 57.311 55.347 1.964 19487 1577 1 6 . 1 1 54 54 ASP CB C 54 44.107 44.107 42.256 1.851 19487 1578 1 6 . 1 1 54 54 ASP H H 54 8.338 8.338 7.626 0.712 19487 1579 1 6 . 1 1 55 55 ALA N N 55 124.730 124.730 124.842 -0.112 19487 1580 1 6 . 1 1 55 55 ALA HA H 55 4.383 4.383 4.324 0.059 19487 1581 1 6 . 1 1 55 55 ALA C C 55 176.939 176.939 177.144 -0.205 19487 1582 1 6 . 1 1 55 55 ALA CA C 55 55.436 55.436 52.629 2.807 19487 1583 1 6 . 1 1 55 55 ALA CB C 55 22.413 22.413 18.737 3.676 19487 1584 1 6 . 1 1 55 55 ALA H H 55 8.153 8.153 8.160 -0.007 19487 1585 1 7 . 1 1 2 2 SER N N 2 117.407 117.407 116.548 0.859 19487 1586 1 7 . 1 1 2 2 SER HA H 2 4.489 4.489 4.474 0.015 19487 1587 1 7 . 1 1 2 2 SER C C 2 176.003 176.003 175.520 0.483 19487 1588 1 7 . 1 1 2 2 SER CA C 2 61.265 61.265 59.612 1.653 19487 1589 1 7 . 1 1 2 2 SER CB C 2 66.930 66.930 63.767 3.163 19487 1590 1 7 . 1 1 2 2 SER H H 2 8.038 8.038 8.787 -0.749 19487 1591 1 7 . 1 1 3 3 ASP N N 3 122.561 122.561 119.667 2.894 19487 1592 1 7 . 1 1 3 3 ASP HA H 3 4.589 4.589 4.552 0.037 19487 1593 1 7 . 1 1 3 3 ASP C C 3 175.831 175.831 176.154 -0.323 19487 1594 1 7 . 1 1 3 3 ASP CA C 3 57.207 57.207 55.686 1.521 19487 1595 1 7 . 1 1 3 3 ASP CB C 3 44.183 44.183 40.843 3.340 19487 1596 1 7 . 1 1 3 3 ASP H H 3 8.506 8.506 8.311 0.195 19487 1597 1 7 . 1 1 4 4 LEU N N 4 123.656 123.656 120.812 2.844 19487 1598 1 7 . 1 1 4 4 LEU HA H 4 4.548 4.548 4.679 -0.131 19487 1599 1 7 . 1 1 4 4 LEU CA C 4 56.089 56.089 52.655 3.434 19487 1600 1 7 . 1 1 4 4 LEU H H 4 8.187 8.187 7.595 0.592 19487 1601 1 7 . 1 1 7 7 PRO HA H 7 4.361 4.361 4.578 -0.217 19487 1602 1 7 . 1 1 7 7 PRO C C 7 175.043 175.043 176.101 -1.058 19487 1603 1 7 . 1 1 7 7 PRO CA C 7 64.870 64.870 62.241 2.629 19487 1604 1 7 . 1 1 7 7 PRO CB C 7 35.143 35.143 32.703 2.441 19487 1605 1 7 . 1 1 8 8 SER N N 8 116.762 116.762 115.952 0.810 19487 1606 1 7 . 1 1 8 8 SER HA H 8 3.925 3.925 4.681 -0.756 19487 1607 1 7 . 1 1 8 8 SER CA C 8 60.475 60.475 55.282 5.193 19487 1608 1 7 . 1 1 8 8 SER CB C 8 65.096 65.096 63.608 1.488 19487 1609 1 7 . 1 1 8 8 SER H H 8 8.302 8.302 8.245 0.057 19487 1610 1 7 . 1 1 11 11 ALA HA H 11 4.218 4.218 4.103 0.115 19487 1611 1 7 . 1 1 11 11 ALA C C 11 178.565 178.565 179.295 -0.730 19487 1612 1 7 . 1 1 11 11 ALA CA C 11 55.637 55.637 54.471 1.166 19487 1613 1 7 . 1 1 11 11 ALA CB C 11 21.863 21.863 18.460 3.403 19487 1614 1 7 . 1 1 12 12 ALA N N 12 125.155 125.155 120.684 4.471 19487 1615 1 7 . 1 1 12 12 ALA HA H 12 4.247 4.247 4.177 0.070 19487 1616 1 7 . 1 1 12 12 ALA C C 12 177.718 177.718 179.345 -1.627 19487 1617 1 7 . 1 1 12 12 ALA CA C 12 56.529 56.529 54.046 2.483 19487 1618 1 7 . 1 1 12 12 ALA CB C 12 22.033 22.033 18.084 3.949 19487 1619 1 7 . 1 1 12 12 ALA H H 12 8.596 8.596 8.559 0.037 19487 1620 1 7 . 1 1 13 13 ALA N N 13 122.474 122.474 120.685 1.789 19487 1621 1 7 . 1 1 13 13 ALA HA H 13 4.387 4.387 4.028 0.359 19487 1622 1 7 . 1 1 13 13 ALA C C 13 177.521 177.521 178.676 -1.155 19487 1623 1 7 . 1 1 13 13 ALA CA C 13 55.079 55.079 54.614 0.465 19487 1624 1 7 . 1 1 13 13 ALA CB C 13 22.732 22.732 18.322 4.410 19487 1625 1 7 . 1 1 13 13 ALA H H 13 8.117 8.117 7.414 0.703 19487 1626 1 7 . 1 1 14 14 THR N N 14 114.271 114.271 111.479 2.792 19487 1627 1 7 . 1 1 14 14 THR HA H 14 4.196 4.196 4.176 0.020 19487 1628 1 7 . 1 1 14 14 THR C C 14 174.319 174.319 175.390 -1.071 19487 1629 1 7 . 1 1 14 14 THR CA C 14 65.631 65.631 63.801 1.830 19487 1630 1 7 . 1 1 14 14 THR CB C 14 72.638 72.638 69.213 3.425 19487 1631 1 7 . 1 1 14 14 THR H H 14 8.202 8.202 7.401 0.801 19487 1632 1 7 . 1 1 15 15 ILE N N 15 125.881 125.881 120.988 4.893 19487 1633 1 7 . 1 1 15 15 ILE HA H 15 4.139 4.139 3.915 0.224 19487 1634 1 7 . 1 1 15 15 ILE C C 15 175.396 175.396 174.924 0.472 19487 1635 1 7 . 1 1 15 15 ILE CA C 15 64.025 64.025 61.866 2.159 19487 1636 1 7 . 1 1 15 15 ILE CB C 15 41.834 41.834 38.879 2.955 19487 1637 1 7 . 1 1 15 15 ILE H H 15 8.149 8.149 7.601 0.548 19487 1638 1 7 . 1 1 16 16 VAL N N 16 128.849 128.849 120.474 8.375 19487 1639 1 7 . 1 1 16 16 VAL HA H 16 4.104 4.104 4.088 0.016 19487 1640 1 7 . 1 1 16 16 VAL C C 16 175.476 175.476 175.376 0.100 19487 1641 1 7 . 1 1 16 16 VAL CA C 16 65.134 65.134 63.299 1.835 19487 1642 1 7 . 1 1 16 16 VAL CB C 16 35.473 35.473 31.967 3.506 19487 1643 1 7 . 1 1 16 16 VAL H H 16 8.453 8.453 8.039 0.414 19487 1644 1 7 . 1 1 17 17 LEU N N 17 128.264 128.264 128.311 -0.047 19487 1645 1 7 . 1 1 17 17 LEU HA H 17 4.587 4.587 4.640 -0.053 19487 1646 1 7 . 1 1 17 17 LEU CA C 17 55.193 55.193 50.667 4.526 19487 1647 1 7 . 1 1 17 17 LEU CB C 17 45.309 45.309 45.091 0.218 19487 1648 1 7 . 1 1 17 17 LEU H H 17 8.538 8.538 8.200 0.338 19487 1649 1 7 . 1 1 19 19 PRO HA H 19 4.200 4.200 3.340 0.860 19487 1650 1 7 . 1 1 19 19 PRO C C 19 176.905 176.905 176.472 0.433 19487 1651 1 7 . 1 1 19 19 PRO CA C 19 66.913 66.913 63.887 3.026 19487 1652 1 7 . 1 1 19 19 PRO CB C 19 35.066 35.066 31.198 3.868 19487 1653 1 7 . 1 1 20 20 ASN N N 20 111.422 111.422 113.762 -2.340 19487 1654 1 7 . 1 1 20 20 ASN HA H 20 3.984 3.984 4.465 -0.481 19487 1655 1 7 . 1 1 20 20 ASN C C 20 172.258 172.258 176.149 -3.891 19487 1656 1 7 . 1 1 20 20 ASN CA C 20 58.148 58.148 54.731 3.417 19487 1657 1 7 . 1 1 20 20 ASN CB C 20 39.841 39.841 38.125 1.716 19487 1658 1 7 . 1 1 20 20 ASN H H 20 8.543 8.543 8.374 0.169 19487 1659 1 7 . 1 1 21 21 TRP N N 21 117.593 117.593 118.520 -0.927 19487 1660 1 7 . 1 1 21 21 TRP HA H 21 5.082 5.082 4.959 0.123 19487 1661 1 7 . 1 1 21 21 TRP C C 21 175.610 175.610 175.391 0.219 19487 1662 1 7 . 1 1 21 21 TRP CA C 21 60.096 60.096 56.676 3.420 19487 1663 1 7 . 1 1 21 21 TRP CB C 21 34.695 34.695 30.136 4.559 19487 1664 1 7 . 1 1 21 21 TRP H H 21 7.400 7.400 7.185 0.215 19487 1665 1 7 . 1 1 22 22 LYS N N 22 121.362 121.362 119.384 1.978 19487 1666 1 7 . 1 1 22 22 LYS HA H 22 4.532 4.532 4.672 -0.140 19487 1667 1 7 . 1 1 22 22 LYS C C 22 174.616 174.616 175.579 -0.963 19487 1668 1 7 . 1 1 22 22 LYS CA C 22 57.332 57.332 53.700 3.632 19487 1669 1 7 . 1 1 22 22 LYS CB C 22 40.444 40.444 36.538 3.906 19487 1670 1 7 . 1 1 22 22 LYS H H 22 9.007 9.007 8.243 0.764 19487 1671 1 7 . 1 1 23 23 THR N N 23 108.761 108.761 112.268 -3.507 19487 1672 1 7 . 1 1 23 23 THR HA H 23 4.986 4.986 5.552 -0.566 19487 1673 1 7 . 1 1 23 23 THR C C 23 173.623 173.623 174.417 -0.794 19487 1674 1 7 . 1 1 23 23 THR CA C 23 62.791 62.791 60.303 2.488 19487 1675 1 7 . 1 1 23 23 THR CB C 23 74.679 74.679 69.986 4.693 19487 1676 1 7 . 1 1 23 23 THR H H 23 7.757 7.757 8.271 -0.514 19487 1677 1 7 . 1 1 24 24 ALA N N 24 124.455 124.455 128.671 -4.216 19487 1678 1 7 . 1 1 24 24 ALA HA H 24 4.332 4.332 4.930 -0.598 19487 1679 1 7 . 1 1 24 24 ALA C C 24 173.702 173.702 174.777 -1.075 19487 1680 1 7 . 1 1 24 24 ALA CA C 24 53.620 53.620 51.600 2.020 19487 1681 1 7 . 1 1 24 24 ALA CB C 24 24.927 24.927 22.264 2.663 19487 1682 1 7 . 1 1 24 24 ALA H H 24 8.352 8.352 8.498 -0.146 19487 1683 1 7 . 1 1 25 25 ARG N N 25 115.144 115.144 119.218 -4.074 19487 1684 1 7 . 1 1 25 25 ARG HA H 25 5.339 5.339 5.219 0.120 19487 1685 1 7 . 1 1 25 25 ARG C C 25 176.810 176.810 174.800 2.010 19487 1686 1 7 . 1 1 25 25 ARG CA C 25 56.600 56.600 54.361 2.239 19487 1687 1 7 . 1 1 25 25 ARG CB C 25 36.731 36.731 33.202 3.530 19487 1688 1 7 . 1 1 25 25 ARG H H 25 7.882 7.882 8.426 -0.544 19487 1689 1 7 . 1 1 26 26 ASP N N 26 126.595 126.595 121.589 5.006 19487 1690 1 7 . 1 1 26 26 ASP HA H 26 4.951 4.951 5.014 -0.063 19487 1691 1 7 . 1 1 26 26 ASP CA C 26 55.811 55.811 52.781 3.030 19487 1692 1 7 . 1 1 26 26 ASP CB C 26 43.672 43.672 41.247 2.425 19487 1693 1 7 . 1 1 26 26 ASP H H 26 9.402 9.402 8.675 0.727 19487 1694 1 7 . 1 1 27 27 PRO HA H 27 4.398 4.398 4.190 0.208 19487 1695 1 7 . 1 1 27 27 PRO C C 27 177.645 177.645 176.980 0.665 19487 1696 1 7 . 1 1 27 27 PRO CA C 27 68.772 68.772 64.944 3.828 19487 1697 1 7 . 1 1 27 27 PRO CB C 27 35.111 35.111 31.742 3.369 19487 1698 1 7 . 1 1 28 28 GLU N N 28 115.064 115.064 118.708 -3.644 19487 1699 1 7 . 1 1 28 28 GLU HA H 28 4.434 4.434 4.446 -0.012 19487 1700 1 7 . 1 1 28 28 GLU C C 28 176.259 176.259 176.718 -0.459 19487 1701 1 7 . 1 1 28 28 GLU CA C 28 58.837 58.837 55.291 3.546 19487 1702 1 7 . 1 1 28 28 GLU CB C 28 33.536 33.536 27.853 5.683 19487 1703 1 7 . 1 1 28 28 GLU H H 28 7.970 7.970 8.412 -0.442 19487 1704 1 7 . 1 1 29 29 GLY N N 29 107.797 107.797 107.527 0.270 19487 1705 1 7 . 1 1 29 29 GLY C C 29 175.283 175.283 174.149 1.134 19487 1706 1 7 . 1 1 29 29 GLY CA C 29 48.501 48.501 45.912 2.589 19487 1707 1 7 . 1 1 29 29 GLY H H 29 8.445 8.445 7.649 0.796 19487 1708 1 7 . 1 1 30 30 LYS N N 30 124.471 124.471 119.749 4.722 19487 1709 1 7 . 1 1 30 30 LYS C C 30 176.712 176.712 174.320 2.392 19487 1710 1 7 . 1 1 30 30 LYS CA C 30 60.736 60.736 54.846 5.891 19487 1711 1 7 . 1 1 30 30 LYS CB C 30 35.661 35.661 33.497 2.164 19487 1712 1 7 . 1 1 30 30 LYS H H 30 9.011 9.011 7.458 1.553 19487 1713 1 7 . 1 1 31 31 ILE N N 31 125.370 125.370 122.792 2.578 19487 1714 1 7 . 1 1 31 31 ILE HA H 31 4.790 4.790 3.959 0.831 19487 1715 1 7 . 1 1 31 31 ILE C C 31 174.765 174.765 173.333 1.432 19487 1716 1 7 . 1 1 31 31 ILE CA C 31 64.312 64.312 59.291 5.021 19487 1717 1 7 . 1 1 31 31 ILE CB C 31 42.514 42.514 40.201 2.313 19487 1718 1 7 . 1 1 31 31 ILE H H 31 8.425 8.425 7.467 0.958 19487 1719 1 7 . 1 1 32 32 TYR N N 32 121.507 121.507 124.017 -2.510 19487 1720 1 7 . 1 1 32 32 TYR HA H 32 4.910 4.910 4.337 0.573 19487 1721 1 7 . 1 1 32 32 TYR C C 32 170.944 170.944 174.035 -3.091 19487 1722 1 7 . 1 1 32 32 TYR CA C 32 58.548 58.548 55.837 2.711 19487 1723 1 7 . 1 1 32 32 TYR CB C 32 42.647 42.647 41.453 1.194 19487 1724 1 7 . 1 1 32 32 TYR H H 32 8.673 8.673 8.813 -0.140 19487 1725 1 7 . 1 1 33 33 TYR N N 33 116.433 116.433 115.807 0.626 19487 1726 1 7 . 1 1 33 33 TYR HA H 33 5.415 5.415 5.736 -0.321 19487 1727 1 7 . 1 1 33 33 TYR C C 33 175.515 175.515 174.955 0.560 19487 1728 1 7 . 1 1 33 33 TYR CA C 33 59.550 59.550 55.874 3.676 19487 1729 1 7 . 1 1 33 33 TYR CB C 33 45.035 45.035 41.199 3.836 19487 1730 1 7 . 1 1 33 33 TYR H H 33 8.700 8.700 8.236 0.464 19487 1731 1 7 . 1 1 34 34 TYR N N 34 117.980 117.980 116.336 1.644 19487 1732 1 7 . 1 1 34 34 TYR HA H 34 6.018 6.018 5.559 0.459 19487 1733 1 7 . 1 1 34 34 TYR C C 34 171.057 171.057 174.089 -3.032 19487 1734 1 7 . 1 1 34 34 TYR CA C 34 58.465 58.465 55.593 2.872 19487 1735 1 7 . 1 1 34 34 TYR CB C 34 46.750 46.750 41.004 5.746 19487 1736 1 7 . 1 1 34 34 TYR H H 34 9.324 9.324 8.984 0.340 19487 1737 1 7 . 1 1 35 35 HIS N N 35 124.333 124.333 123.051 1.282 19487 1738 1 7 . 1 1 35 35 HIS HA H 35 3.878 3.878 5.032 -1.154 19487 1739 1 7 . 1 1 35 35 HIS C C 35 178.739 178.739 175.618 3.121 19487 1740 1 7 . 1 1 35 35 HIS CA C 35 57.747 57.747 55.142 2.605 19487 1741 1 7 . 1 1 35 35 HIS CB C 35 35.302 35.302 33.175 2.127 19487 1742 1 7 . 1 1 35 35 HIS H H 35 7.704 7.704 9.056 -1.352 19487 1743 1 7 . 1 1 36 36 VAL N N 36 123.002 123.002 125.309 -2.307 19487 1744 1 7 . 1 1 36 36 VAL HA H 36 3.753 3.753 3.961 -0.208 19487 1745 1 7 . 1 1 36 36 VAL C C 36 176.638 176.638 176.195 0.443 19487 1746 1 7 . 1 1 36 36 VAL CA C 36 67.697 67.697 64.961 2.736 19487 1747 1 7 . 1 1 36 36 VAL CB C 36 35.060 35.060 31.767 3.293 19487 1748 1 7 . 1 1 36 36 VAL H H 36 8.559 8.559 8.418 0.141 19487 1749 1 7 . 1 1 37 37 ILE N N 37 120.608 120.608 118.281 2.327 19487 1750 1 7 . 1 1 37 37 ILE HA H 37 4.194 4.194 3.860 0.334 19487 1751 1 7 . 1 1 37 37 ILE C C 37 178.269 178.269 177.461 0.808 19487 1752 1 7 . 1 1 37 37 ILE CA C 37 65.546 65.546 63.977 1.569 19487 1753 1 7 . 1 1 37 37 ILE CB C 37 41.259 41.259 38.135 3.124 19487 1754 1 7 . 1 1 37 37 ILE H H 37 8.904 8.904 7.403 1.501 19487 1755 1 7 . 1 1 38 38 THR N N 38 112.000 112.000 111.143 0.857 19487 1756 1 7 . 1 1 38 38 THR HA H 38 4.014 4.014 4.305 -0.291 19487 1757 1 7 . 1 1 38 38 THR C C 38 176.608 176.608 174.953 1.655 19487 1758 1 7 . 1 1 38 38 THR CA C 38 66.181 66.181 62.647 3.534 19487 1759 1 7 . 1 1 38 38 THR CB C 38 72.340 72.340 70.095 2.245 19487 1760 1 7 . 1 1 38 38 THR H H 38 8.942 8.942 7.587 1.355 19487 1761 1 7 . 1 1 39 39 ARG N N 39 113.683 113.683 117.965 -4.282 19487 1762 1 7 . 1 1 39 39 ARG HA H 39 4.019 4.019 4.135 -0.116 19487 1763 1 7 . 1 1 39 39 ARG C C 39 174.659 174.659 174.803 -0.144 19487 1764 1 7 . 1 1 39 39 ARG CA C 39 59.924 59.924 57.235 2.689 19487 1765 1 7 . 1 1 39 39 ARG CB C 39 28.994 28.994 27.012 1.982 19487 1766 1 7 . 1 1 39 39 ARG H H 39 8.111 8.111 7.933 0.178 19487 1767 1 7 . 1 1 40 40 GLN N N 40 118.822 118.822 117.391 1.431 19487 1768 1 7 . 1 1 40 40 GLN HA H 40 4.335 4.335 4.687 -0.352 19487 1769 1 7 . 1 1 40 40 GLN C C 40 174.969 174.969 174.289 0.680 19487 1770 1 7 . 1 1 40 40 GLN CA C 40 59.216 59.216 54.331 4.885 19487 1771 1 7 . 1 1 40 40 GLN CB C 40 32.661 32.661 33.039 -0.378 19487 1772 1 7 . 1 1 40 40 GLN H H 40 7.740 7.740 7.695 0.045 19487 1773 1 7 . 1 1 41 41 THR N N 41 110.403 110.403 115.503 -5.100 19487 1774 1 7 . 1 1 41 41 THR HA H 41 5.868 5.868 5.432 0.436 19487 1775 1 7 . 1 1 41 41 THR C C 41 174.918 174.918 172.992 1.926 19487 1776 1 7 . 1 1 41 41 THR CA C 41 62.191 62.191 61.082 1.109 19487 1777 1 7 . 1 1 41 41 THR CB C 41 76.145 76.145 70.441 5.704 19487 1778 1 7 . 1 1 41 41 THR H H 41 8.192 8.192 8.494 -0.302 19487 1779 1 7 . 1 1 42 42 GLN N N 42 113.850 113.850 126.206 -12.356 19487 1780 1 7 . 1 1 42 42 GLN HA H 42 4.785 4.785 4.923 -0.138 19487 1781 1 7 . 1 1 42 42 GLN C C 42 174.918 174.918 174.660 0.258 19487 1782 1 7 . 1 1 42 42 GLN CA C 42 58.285 58.285 54.882 3.403 19487 1783 1 7 . 1 1 42 42 GLN CB C 42 35.073 35.073 30.718 4.355 19487 1784 1 7 . 1 1 42 42 GLN H H 42 9.120 9.120 8.908 0.212 19487 1785 1 7 . 1 1 43 43 TRP N N 43 120.166 120.166 126.606 -6.440 19487 1786 1 7 . 1 1 43 43 TRP HA H 43 5.119 5.119 4.647 0.472 19487 1787 1 7 . 1 1 43 43 TRP C C 43 176.115 176.115 175.731 0.384 19487 1788 1 7 . 1 1 43 43 TRP CA C 43 62.184 62.184 58.284 3.900 19487 1789 1 7 . 1 1 43 43 TRP CB C 43 34.495 34.495 29.987 4.508 19487 1790 1 7 . 1 1 43 43 TRP H H 43 9.019 9.019 8.920 0.099 19487 1791 1 7 . 1 1 44 44 ASP N N 44 115.913 115.913 118.761 -2.848 19487 1792 1 7 . 1 1 44 44 ASP HA H 44 5.113 5.113 4.637 0.476 19487 1793 1 7 . 1 1 44 44 ASP CA C 44 54.787 54.787 54.273 0.514 19487 1794 1 7 . 1 1 44 44 ASP CB C 44 43.540 43.540 39.896 3.644 19487 1795 1 7 . 1 1 44 44 ASP H H 44 7.976 7.976 8.049 -0.073 19487 1796 1 7 . 1 1 46 46 PRO HA H 46 3.808 3.808 4.395 -0.587 19487 1797 1 7 . 1 1 46 46 PRO C C 46 175.510 175.510 175.770 -0.260 19487 1798 1 7 . 1 1 46 46 PRO CA C 46 64.219 64.219 63.209 1.010 19487 1799 1 7 . 1 1 46 46 PRO CB C 46 33.572 33.572 32.596 0.976 19487 1800 1 7 . 1 1 47 47 THR N N 47 112.072 112.072 113.474 -1.402 19487 1801 1 7 . 1 1 47 47 THR HA H 47 4.234 4.234 4.419 -0.185 19487 1802 1 7 . 1 1 47 47 THR C C 47 174.205 174.205 174.161 0.044 19487 1803 1 7 . 1 1 47 47 THR CA C 47 63.797 63.797 58.759 5.038 19487 1804 1 7 . 1 1 47 47 THR CB C 47 73.250 73.250 69.929 3.321 19487 1805 1 7 . 1 1 47 47 THR H H 47 7.690 7.690 8.102 -0.412 19487 1806 1 7 . 1 1 48 48 TRP N N 48 123.257 123.257 122.760 0.497 19487 1807 1 7 . 1 1 48 48 TRP HA H 48 4.404 4.404 4.574 -0.170 19487 1808 1 7 . 1 1 48 48 TRP C C 48 175.934 175.934 175.728 0.206 19487 1809 1 7 . 1 1 48 48 TRP CA C 48 60.797 60.797 60.113 0.684 19487 1810 1 7 . 1 1 48 48 TRP CB C 48 32.345 32.345 30.299 2.046 19487 1811 1 7 . 1 1 48 48 TRP H H 48 8.480 8.480 8.268 0.212 19487 1812 1 7 . 1 1 49 49 GLU N N 49 122.782 122.782 118.517 4.265 19487 1813 1 7 . 1 1 49 49 GLU HA H 49 4.273 4.273 4.199 0.074 19487 1814 1 7 . 1 1 49 49 GLU C C 49 175.847 175.847 175.261 0.586 19487 1815 1 7 . 1 1 49 49 GLU CA C 49 59.213 59.213 55.507 3.706 19487 1816 1 7 . 1 1 49 49 GLU CB C 49 33.752 33.752 32.550 1.202 19487 1817 1 7 . 1 1 49 49 GLU H H 49 8.296 8.296 8.059 0.237 19487 1818 1 7 . 1 1 50 50 SER N N 50 118.313 118.313 118.210 0.103 19487 1819 1 7 . 1 1 50 50 SER HA H 50 4.613 4.613 4.765 -0.152 19487 1820 1 7 . 1 1 50 50 SER CA C 50 47.633 47.633 55.136 -7.503 19487 1821 1 7 . 1 1 50 50 SER CB C 50 66.397 66.397 63.661 2.736 19487 1822 1 7 . 1 1 50 50 SER H H 50 8.344 8.344 8.192 0.152 19487 1823 1 7 . 1 1 51 51 PRO HA H 51 4.400 4.400 4.522 -0.122 19487 1824 1 7 . 1 1 51 51 PRO C C 51 177.481 177.481 178.030 -0.549 19487 1825 1 7 . 1 1 51 51 PRO CA C 51 66.571 66.571 62.474 4.097 19487 1826 1 7 . 1 1 51 51 PRO CB C 51 35.162 35.162 32.664 2.498 19487 1827 1 7 . 1 1 52 52 GLY N N 52 109.070 109.070 107.383 1.687 19487 1828 1 7 . 1 1 52 52 GLY C C 52 173.969 173.969 175.357 -1.388 19487 1829 1 7 . 1 1 52 52 GLY CA C 52 48.147 48.147 46.196 1.951 19487 1830 1 7 . 1 1 52 52 GLY H H 52 8.345 8.345 8.620 -0.275 19487 1831 1 7 . 1 1 53 53 ASP N N 53 120.558 120.558 117.809 2.749 19487 1832 1 7 . 1 1 53 53 ASP HA H 53 4.589 4.589 4.349 0.240 19487 1833 1 7 . 1 1 53 53 ASP C C 53 176.133 176.133 176.363 -0.230 19487 1834 1 7 . 1 1 53 53 ASP CA C 53 57.417 57.417 56.537 0.880 19487 1835 1 7 . 1 1 53 53 ASP CB C 53 44.256 44.256 40.655 3.601 19487 1836 1 7 . 1 1 53 53 ASP H H 53 8.216 8.216 7.759 0.457 19487 1837 1 7 . 1 1 54 54 ASP N N 54 120.383 120.383 118.273 2.110 19487 1838 1 7 . 1 1 54 54 ASP HA H 54 4.552 4.552 4.534 0.018 19487 1839 1 7 . 1 1 54 54 ASP C C 54 175.904 175.904 176.788 -0.884 19487 1840 1 7 . 1 1 54 54 ASP CA C 54 57.311 57.311 54.961 2.350 19487 1841 1 7 . 1 1 54 54 ASP CB C 54 44.107 44.107 42.299 1.808 19487 1842 1 7 . 1 1 54 54 ASP H H 54 8.338 8.338 7.770 0.568 19487 1843 1 7 . 1 1 55 55 ALA N N 55 124.730 124.730 121.813 2.917 19487 1844 1 7 . 1 1 55 55 ALA HA H 55 4.383 4.383 4.473 -0.090 19487 1845 1 7 . 1 1 55 55 ALA C C 55 176.939 176.939 176.511 0.428 19487 1846 1 7 . 1 1 55 55 ALA CA C 55 55.436 55.436 52.432 3.004 19487 1847 1 7 . 1 1 55 55 ALA CB C 55 22.413 22.413 20.412 2.001 19487 1848 1 7 . 1 1 55 55 ALA H H 55 8.153 8.153 7.735 0.418 19487 1849 1 8 . 1 1 2 2 SER N N 2 117.407 117.407 117.916 -0.509 19487 1850 1 8 . 1 1 2 2 SER HA H 2 4.489 4.489 4.363 0.126 19487 1851 1 8 . 1 1 2 2 SER C C 2 176.003 176.003 175.187 0.816 19487 1852 1 8 . 1 1 2 2 SER CA C 2 61.265 61.265 60.624 0.640 19487 1853 1 8 . 1 1 2 2 SER CB C 2 66.930 66.930 63.967 2.963 19487 1854 1 8 . 1 1 2 2 SER H H 2 8.038 8.038 8.979 -0.941 19487 1855 1 8 . 1 1 3 3 ASP N N 3 122.561 122.561 120.356 2.205 19487 1856 1 8 . 1 1 3 3 ASP HA H 3 4.589 4.589 4.729 -0.140 19487 1857 1 8 . 1 1 3 3 ASP C C 3 175.831 175.831 175.951 -0.120 19487 1858 1 8 . 1 1 3 3 ASP CA C 3 57.207 57.207 54.872 2.335 19487 1859 1 8 . 1 1 3 3 ASP CB C 3 44.183 44.183 41.968 2.215 19487 1860 1 8 . 1 1 3 3 ASP H H 3 8.506 8.506 8.650 -0.144 19487 1861 1 8 . 1 1 4 4 LEU N N 4 123.656 123.656 120.697 2.959 19487 1862 1 8 . 1 1 4 4 LEU HA H 4 4.548 4.548 4.805 -0.257 19487 1863 1 8 . 1 1 4 4 LEU CA C 4 56.089 56.089 51.961 4.128 19487 1864 1 8 . 1 1 4 4 LEU H H 4 8.187 8.187 7.751 0.436 19487 1865 1 8 . 1 1 7 7 PRO HA H 7 4.361 4.361 4.594 -0.233 19487 1866 1 8 . 1 1 7 7 PRO C C 7 175.043 175.043 175.756 -0.713 19487 1867 1 8 . 1 1 7 7 PRO CA C 7 64.870 64.870 62.407 2.463 19487 1868 1 8 . 1 1 7 7 PRO CB C 7 35.143 35.143 32.566 2.577 19487 1869 1 8 . 1 1 8 8 SER N N 8 116.762 116.762 117.904 -1.142 19487 1870 1 8 . 1 1 8 8 SER HA H 8 3.925 3.925 4.579 -0.654 19487 1871 1 8 . 1 1 8 8 SER CA C 8 60.475 60.475 56.057 4.418 19487 1872 1 8 . 1 1 8 8 SER CB C 8 65.096 65.096 62.827 2.269 19487 1873 1 8 . 1 1 8 8 SER H H 8 8.302 8.302 8.143 0.159 19487 1874 1 8 . 1 1 11 11 ALA HA H 11 4.218 4.218 4.073 0.145 19487 1875 1 8 . 1 1 11 11 ALA C C 11 178.565 178.565 179.337 -0.772 19487 1876 1 8 . 1 1 11 11 ALA CA C 11 55.637 55.637 54.528 1.109 19487 1877 1 8 . 1 1 11 11 ALA CB C 11 21.863 21.863 18.428 3.435 19487 1878 1 8 . 1 1 12 12 ALA N N 12 125.155 125.155 120.815 4.340 19487 1879 1 8 . 1 1 12 12 ALA HA H 12 4.247 4.247 4.142 0.105 19487 1880 1 8 . 1 1 12 12 ALA C C 12 177.718 177.718 179.474 -1.756 19487 1881 1 8 . 1 1 12 12 ALA CA C 12 56.529 56.529 54.208 2.321 19487 1882 1 8 . 1 1 12 12 ALA CB C 12 22.033 22.033 18.042 3.991 19487 1883 1 8 . 1 1 12 12 ALA H H 12 8.596 8.596 8.604 -0.008 19487 1884 1 8 . 1 1 13 13 ALA N N 13 122.474 122.474 119.818 2.656 19487 1885 1 8 . 1 1 13 13 ALA HA H 13 4.387 4.387 4.111 0.276 19487 1886 1 8 . 1 1 13 13 ALA C C 13 177.521 177.521 178.686 -1.165 19487 1887 1 8 . 1 1 13 13 ALA CA C 13 55.079 55.079 54.287 0.792 19487 1888 1 8 . 1 1 13 13 ALA CB C 13 22.732 22.732 18.472 4.260 19487 1889 1 8 . 1 1 13 13 ALA H H 13 8.117 8.117 7.458 0.659 19487 1890 1 8 . 1 1 14 14 THR N N 14 114.271 114.271 112.263 2.008 19487 1891 1 8 . 1 1 14 14 THR HA H 14 4.196 4.196 4.142 0.054 19487 1892 1 8 . 1 1 14 14 THR C C 14 174.319 174.319 175.602 -1.283 19487 1893 1 8 . 1 1 14 14 THR CA C 14 65.631 65.631 64.024 1.607 19487 1894 1 8 . 1 1 14 14 THR CB C 14 72.638 72.638 69.452 3.186 19487 1895 1 8 . 1 1 14 14 THR H H 14 8.202 8.202 7.579 0.623 19487 1896 1 8 . 1 1 15 15 ILE N N 15 125.881 125.881 120.384 5.497 19487 1897 1 8 . 1 1 15 15 ILE HA H 15 4.139 4.139 3.911 0.228 19487 1898 1 8 . 1 1 15 15 ILE C C 15 175.396 175.396 175.445 -0.049 19487 1899 1 8 . 1 1 15 15 ILE CA C 15 64.025 64.025 61.299 2.726 19487 1900 1 8 . 1 1 15 15 ILE CB C 15 41.834 41.834 39.050 2.784 19487 1901 1 8 . 1 1 15 15 ILE H H 15 8.149 8.149 7.399 0.750 19487 1902 1 8 . 1 1 16 16 VAL N N 16 128.849 128.849 120.512 8.337 19487 1903 1 8 . 1 1 16 16 VAL HA H 16 4.104 4.104 3.981 0.123 19487 1904 1 8 . 1 1 16 16 VAL C C 16 175.476 175.476 175.057 0.419 19487 1905 1 8 . 1 1 16 16 VAL CA C 16 65.134 65.134 62.087 3.047 19487 1906 1 8 . 1 1 16 16 VAL CB C 16 35.473 35.473 32.445 3.028 19487 1907 1 8 . 1 1 16 16 VAL H H 16 8.453 8.453 8.062 0.391 19487 1908 1 8 . 1 1 17 17 LEU N N 17 128.264 128.264 127.932 0.332 19487 1909 1 8 . 1 1 17 17 LEU HA H 17 4.587 4.587 4.693 -0.106 19487 1910 1 8 . 1 1 17 17 LEU CA C 17 55.193 55.193 51.579 3.614 19487 1911 1 8 . 1 1 17 17 LEU CB C 17 45.309 45.309 43.924 1.385 19487 1912 1 8 . 1 1 17 17 LEU H H 17 8.538 8.538 8.398 0.140 19487 1913 1 8 . 1 1 19 19 PRO HA H 19 4.200 4.200 3.709 0.491 19487 1914 1 8 . 1 1 19 19 PRO C C 19 176.905 176.905 176.566 0.339 19487 1915 1 8 . 1 1 19 19 PRO CA C 19 66.913 66.913 64.357 2.556 19487 1916 1 8 . 1 1 19 19 PRO CB C 19 35.066 35.066 31.723 3.344 19487 1917 1 8 . 1 1 20 20 ASN N N 20 111.422 111.422 114.200 -2.778 19487 1918 1 8 . 1 1 20 20 ASN HA H 20 3.984 3.984 4.365 -0.381 19487 1919 1 8 . 1 1 20 20 ASN C C 20 172.258 172.258 175.617 -3.359 19487 1920 1 8 . 1 1 20 20 ASN CA C 20 58.148 58.148 54.242 3.906 19487 1921 1 8 . 1 1 20 20 ASN CB C 20 39.841 39.841 37.756 2.085 19487 1922 1 8 . 1 1 20 20 ASN H H 20 8.543 8.543 8.453 0.090 19487 1923 1 8 . 1 1 21 21 TRP N N 21 117.593 117.593 118.794 -1.201 19487 1924 1 8 . 1 1 21 21 TRP HA H 21 5.082 5.082 4.820 0.262 19487 1925 1 8 . 1 1 21 21 TRP C C 21 175.610 175.610 175.759 -0.149 19487 1926 1 8 . 1 1 21 21 TRP CA C 21 60.096 60.096 56.376 3.720 19487 1927 1 8 . 1 1 21 21 TRP CB C 21 34.695 34.695 30.151 4.543 19487 1928 1 8 . 1 1 21 21 TRP H H 21 7.400 7.400 7.166 0.234 19487 1929 1 8 . 1 1 22 22 LYS N N 22 121.362 121.362 119.278 2.084 19487 1930 1 8 . 1 1 22 22 LYS HA H 22 4.532 4.532 4.669 -0.137 19487 1931 1 8 . 1 1 22 22 LYS C C 22 174.616 174.616 175.457 -0.841 19487 1932 1 8 . 1 1 22 22 LYS CA C 22 57.332 57.332 53.202 4.130 19487 1933 1 8 . 1 1 22 22 LYS CB C 22 40.444 40.444 36.684 3.760 19487 1934 1 8 . 1 1 22 22 LYS H H 22 9.007 9.007 8.516 0.491 19487 1935 1 8 . 1 1 23 23 THR N N 23 108.761 108.761 111.451 -2.690 19487 1936 1 8 . 1 1 23 23 THR HA H 23 4.986 4.986 4.928 0.058 19487 1937 1 8 . 1 1 23 23 THR C C 23 173.623 173.623 173.598 0.025 19487 1938 1 8 . 1 1 23 23 THR CA C 23 62.791 62.791 60.108 2.683 19487 1939 1 8 . 1 1 23 23 THR CB C 23 74.679 74.679 70.770 3.909 19487 1940 1 8 . 1 1 23 23 THR H H 23 7.757 7.757 8.362 -0.605 19487 1941 1 8 . 1 1 24 24 ALA N N 24 124.455 124.455 126.588 -2.133 19487 1942 1 8 . 1 1 24 24 ALA HA H 24 4.332 4.332 4.724 -0.392 19487 1943 1 8 . 1 1 24 24 ALA C C 24 173.702 173.702 174.004 -0.302 19487 1944 1 8 . 1 1 24 24 ALA CA C 24 53.620 53.620 51.900 1.720 19487 1945 1 8 . 1 1 24 24 ALA CB C 24 24.927 24.927 21.617 3.310 19487 1946 1 8 . 1 1 24 24 ALA H H 24 8.352 8.352 7.779 0.573 19487 1947 1 8 . 1 1 25 25 ARG N N 25 115.144 115.144 118.952 -3.808 19487 1948 1 8 . 1 1 25 25 ARG HA H 25 5.339 5.339 4.851 0.488 19487 1949 1 8 . 1 1 25 25 ARG C C 25 176.810 176.810 175.508 1.302 19487 1950 1 8 . 1 1 25 25 ARG CA C 25 56.600 56.600 54.278 2.322 19487 1951 1 8 . 1 1 25 25 ARG CB C 25 36.731 36.731 34.072 2.659 19487 1952 1 8 . 1 1 25 25 ARG H H 25 7.882 7.882 8.250 -0.368 19487 1953 1 8 . 1 1 26 26 ASP N N 26 126.595 126.595 122.373 4.222 19487 1954 1 8 . 1 1 26 26 ASP HA H 26 4.951 4.951 5.120 -0.169 19487 1955 1 8 . 1 1 26 26 ASP CA C 26 55.811 55.811 52.456 3.355 19487 1956 1 8 . 1 1 26 26 ASP CB C 26 43.672 43.672 41.184 2.488 19487 1957 1 8 . 1 1 26 26 ASP H H 26 9.402 9.402 8.585 0.817 19487 1958 1 8 . 1 1 27 27 PRO HA H 27 4.398 4.398 4.211 0.187 19487 1959 1 8 . 1 1 27 27 PRO C C 27 177.645 177.645 177.689 -0.044 19487 1960 1 8 . 1 1 27 27 PRO CA C 27 68.772 68.772 65.129 3.643 19487 1961 1 8 . 1 1 27 27 PRO CB C 27 35.111 35.111 31.816 3.295 19487 1962 1 8 . 1 1 28 28 GLU N N 28 115.064 115.064 118.939 -3.875 19487 1963 1 8 . 1 1 28 28 GLU HA H 28 4.434 4.434 4.408 0.026 19487 1964 1 8 . 1 1 28 28 GLU C C 28 176.259 176.259 176.341 -0.082 19487 1965 1 8 . 1 1 28 28 GLU CA C 28 58.837 58.837 55.549 3.288 19487 1966 1 8 . 1 1 28 28 GLU CB C 28 33.536 33.536 27.512 6.024 19487 1967 1 8 . 1 1 28 28 GLU H H 28 7.970 7.970 8.506 -0.536 19487 1968 1 8 . 1 1 29 29 GLY N N 29 107.797 107.797 107.798 -0.001 19487 1969 1 8 . 1 1 29 29 GLY C C 29 175.283 175.283 174.272 1.011 19487 1970 1 8 . 1 1 29 29 GLY CA C 29 48.501 48.501 45.908 2.592 19487 1971 1 8 . 1 1 29 29 GLY H H 29 8.445 8.445 7.861 0.584 19487 1972 1 8 . 1 1 30 30 LYS N N 30 124.471 124.471 119.424 5.047 19487 1973 1 8 . 1 1 30 30 LYS C C 30 176.712 176.712 175.111 1.601 19487 1974 1 8 . 1 1 30 30 LYS CA C 30 60.736 60.736 56.147 4.589 19487 1975 1 8 . 1 1 30 30 LYS CB C 30 35.661 35.661 33.256 2.405 19487 1976 1 8 . 1 1 30 30 LYS H H 30 9.011 9.011 7.334 1.677 19487 1977 1 8 . 1 1 31 31 ILE N N 31 125.370 125.370 123.872 1.498 19487 1978 1 8 . 1 1 31 31 ILE HA H 31 4.790 4.790 4.301 0.489 19487 1979 1 8 . 1 1 31 31 ILE C C 31 174.765 174.765 174.317 0.448 19487 1980 1 8 . 1 1 31 31 ILE CA C 31 64.312 64.312 59.194 5.118 19487 1981 1 8 . 1 1 31 31 ILE CB C 31 42.514 42.514 40.966 1.548 19487 1982 1 8 . 1 1 31 31 ILE H H 31 8.425 8.425 8.441 -0.016 19487 1983 1 8 . 1 1 32 32 TYR N N 32 121.507 121.507 122.653 -1.146 19487 1984 1 8 . 1 1 32 32 TYR HA H 32 4.910 4.910 4.973 -0.063 19487 1985 1 8 . 1 1 32 32 TYR C C 32 170.944 170.944 172.554 -1.610 19487 1986 1 8 . 1 1 32 32 TYR CA C 32 58.548 58.548 55.575 2.973 19487 1987 1 8 . 1 1 32 32 TYR CB C 32 42.647 42.647 39.990 2.657 19487 1988 1 8 . 1 1 32 32 TYR H H 32 8.673 8.673 8.001 0.672 19487 1989 1 8 . 1 1 33 33 TYR N N 33 116.433 116.433 117.454 -1.021 19487 1990 1 8 . 1 1 33 33 TYR HA H 33 5.415 5.415 5.338 0.077 19487 1991 1 8 . 1 1 33 33 TYR C C 33 175.515 175.515 174.883 0.632 19487 1992 1 8 . 1 1 33 33 TYR CA C 33 59.550 59.550 56.594 2.955 19487 1993 1 8 . 1 1 33 33 TYR CB C 33 45.035 45.035 42.474 2.561 19487 1994 1 8 . 1 1 33 33 TYR H H 33 8.700 8.700 8.423 0.277 19487 1995 1 8 . 1 1 34 34 TYR N N 34 117.980 117.980 117.076 0.904 19487 1996 1 8 . 1 1 34 34 TYR HA H 34 6.018 6.018 5.742 0.276 19487 1997 1 8 . 1 1 34 34 TYR C C 34 171.057 171.057 174.048 -2.991 19487 1998 1 8 . 1 1 34 34 TYR CA C 34 58.465 58.465 55.717 2.748 19487 1999 1 8 . 1 1 34 34 TYR CB C 34 46.750 46.750 41.285 5.465 19487 2000 1 8 . 1 1 34 34 TYR H H 34 9.324 9.324 8.866 0.458 19487 2001 1 8 . 1 1 35 35 HIS N N 35 124.333 124.333 123.206 1.127 19487 2002 1 8 . 1 1 35 35 HIS HA H 35 3.878 3.878 5.121 -1.243 19487 2003 1 8 . 1 1 35 35 HIS C C 35 178.739 178.739 175.315 3.424 19487 2004 1 8 . 1 1 35 35 HIS CA C 35 57.747 57.747 55.105 2.642 19487 2005 1 8 . 1 1 35 35 HIS CB C 35 35.302 35.302 33.631 1.671 19487 2006 1 8 . 1 1 35 35 HIS H H 35 7.704 7.704 9.300 -1.596 19487 2007 1 8 . 1 1 36 36 VAL N N 36 123.002 123.002 125.370 -2.368 19487 2008 1 8 . 1 1 36 36 VAL HA H 36 3.753 3.753 3.932 -0.179 19487 2009 1 8 . 1 1 36 36 VAL C C 36 176.638 176.638 176.191 0.447 19487 2010 1 8 . 1 1 36 36 VAL CA C 36 67.697 67.697 64.760 2.937 19487 2011 1 8 . 1 1 36 36 VAL CB C 36 35.060 35.060 31.774 3.286 19487 2012 1 8 . 1 1 36 36 VAL H H 36 8.559 8.559 8.340 0.219 19487 2013 1 8 . 1 1 37 37 ILE N N 37 120.608 120.608 117.063 3.545 19487 2014 1 8 . 1 1 37 37 ILE HA H 37 4.194 4.194 3.985 0.209 19487 2015 1 8 . 1 1 37 37 ILE C C 37 178.269 178.269 177.373 0.896 19487 2016 1 8 . 1 1 37 37 ILE CA C 37 65.546 65.546 63.639 1.907 19487 2017 1 8 . 1 1 37 37 ILE CB C 37 41.259 41.259 38.073 3.186 19487 2018 1 8 . 1 1 37 37 ILE H H 37 8.904 8.904 7.509 1.395 19487 2019 1 8 . 1 1 38 38 THR N N 38 112.000 112.000 111.466 0.534 19487 2020 1 8 . 1 1 38 38 THR HA H 38 4.014 4.014 4.307 -0.293 19487 2021 1 8 . 1 1 38 38 THR C C 38 176.608 176.608 175.240 1.368 19487 2022 1 8 . 1 1 38 38 THR CA C 38 66.181 66.181 62.919 3.262 19487 2023 1 8 . 1 1 38 38 THR CB C 38 72.340 72.340 69.651 2.689 19487 2024 1 8 . 1 1 38 38 THR H H 38 8.942 8.942 7.963 0.979 19487 2025 1 8 . 1 1 39 39 ARG N N 39 113.683 113.683 119.312 -5.629 19487 2026 1 8 . 1 1 39 39 ARG HA H 39 4.019 4.019 4.132 -0.113 19487 2027 1 8 . 1 1 39 39 ARG C C 39 174.659 174.659 174.795 -0.136 19487 2028 1 8 . 1 1 39 39 ARG CA C 39 59.924 59.924 57.309 2.615 19487 2029 1 8 . 1 1 39 39 ARG CB C 39 28.994 28.994 28.062 0.932 19487 2030 1 8 . 1 1 39 39 ARG H H 39 8.111 8.111 7.988 0.123 19487 2031 1 8 . 1 1 40 40 GLN N N 40 118.822 118.822 116.666 2.156 19487 2032 1 8 . 1 1 40 40 GLN HA H 40 4.335 4.335 4.714 -0.379 19487 2033 1 8 . 1 1 40 40 GLN C C 40 174.969 174.969 174.145 0.824 19487 2034 1 8 . 1 1 40 40 GLN CA C 40 59.216 59.216 54.075 5.141 19487 2035 1 8 . 1 1 40 40 GLN CB C 40 32.661 32.661 33.370 -0.709 19487 2036 1 8 . 1 1 40 40 GLN H H 40 7.740 7.740 7.806 -0.066 19487 2037 1 8 . 1 1 41 41 THR N N 41 110.403 110.403 114.211 -3.808 19487 2038 1 8 . 1 1 41 41 THR HA H 41 5.868 5.868 5.281 0.587 19487 2039 1 8 . 1 1 41 41 THR C C 41 174.918 174.918 173.226 1.692 19487 2040 1 8 . 1 1 41 41 THR CA C 41 62.191 62.191 61.145 1.046 19487 2041 1 8 . 1 1 41 41 THR CB C 41 76.145 76.145 70.400 5.745 19487 2042 1 8 . 1 1 41 41 THR H H 41 8.192 8.192 8.516 -0.324 19487 2043 1 8 . 1 1 42 42 GLN N N 42 113.850 113.850 125.943 -12.093 19487 2044 1 8 . 1 1 42 42 GLN HA H 42 4.785 4.785 4.861 -0.076 19487 2045 1 8 . 1 1 42 42 GLN C C 42 174.918 174.918 174.529 0.389 19487 2046 1 8 . 1 1 42 42 GLN CA C 42 58.285 58.285 54.742 3.543 19487 2047 1 8 . 1 1 42 42 GLN CB C 42 35.073 35.073 30.386 4.687 19487 2048 1 8 . 1 1 42 42 GLN H H 42 9.120 9.120 8.514 0.606 19487 2049 1 8 . 1 1 43 43 TRP N N 43 120.166 120.166 127.419 -7.253 19487 2050 1 8 . 1 1 43 43 TRP HA H 43 5.119 5.119 4.766 0.353 19487 2051 1 8 . 1 1 43 43 TRP C C 43 176.115 176.115 175.892 0.223 19487 2052 1 8 . 1 1 43 43 TRP CA C 43 62.184 62.184 59.956 2.228 19487 2053 1 8 . 1 1 43 43 TRP CB C 43 34.495 34.495 30.442 4.053 19487 2054 1 8 . 1 1 43 43 TRP H H 43 9.019 9.019 8.876 0.143 19487 2055 1 8 . 1 1 44 44 ASP N N 44 115.913 115.913 118.147 -2.234 19487 2056 1 8 . 1 1 44 44 ASP HA H 44 5.113 5.113 4.555 0.558 19487 2057 1 8 . 1 1 44 44 ASP CA C 44 54.787 54.787 53.843 0.944 19487 2058 1 8 . 1 1 44 44 ASP CB C 44 43.540 43.540 39.961 3.579 19487 2059 1 8 . 1 1 44 44 ASP H H 44 7.976 7.976 8.412 -0.436 19487 2060 1 8 . 1 1 46 46 PRO HA H 46 3.808 3.808 4.228 -0.420 19487 2061 1 8 . 1 1 46 46 PRO C C 46 175.510 175.510 176.425 -0.915 19487 2062 1 8 . 1 1 46 46 PRO CA C 46 64.219 64.219 63.247 0.972 19487 2063 1 8 . 1 1 46 46 PRO CB C 46 33.572 33.572 32.242 1.329 19487 2064 1 8 . 1 1 47 47 THR N N 47 112.072 112.072 114.371 -2.299 19487 2065 1 8 . 1 1 47 47 THR HA H 47 4.234 4.234 3.520 0.714 19487 2066 1 8 . 1 1 47 47 THR C C 47 174.205 174.205 175.484 -1.279 19487 2067 1 8 . 1 1 47 47 THR CA C 47 63.797 63.797 59.975 3.822 19487 2068 1 8 . 1 1 47 47 THR CB C 47 73.250 73.250 69.315 3.935 19487 2069 1 8 . 1 1 47 47 THR H H 47 7.690 7.690 7.839 -0.149 19487 2070 1 8 . 1 1 48 48 TRP N N 48 123.257 123.257 117.564 5.693 19487 2071 1 8 . 1 1 48 48 TRP HA H 48 4.404 4.404 4.223 0.181 19487 2072 1 8 . 1 1 48 48 TRP C C 48 175.934 175.934 176.216 -0.282 19487 2073 1 8 . 1 1 48 48 TRP CA C 48 60.797 60.797 58.444 2.353 19487 2074 1 8 . 1 1 48 48 TRP CB C 48 32.345 32.345 29.069 3.276 19487 2075 1 8 . 1 1 48 48 TRP H H 48 8.480 8.480 7.179 1.301 19487 2076 1 8 . 1 1 49 49 GLU N N 49 122.782 122.782 117.412 5.370 19487 2077 1 8 . 1 1 49 49 GLU HA H 49 4.273 4.273 4.543 -0.270 19487 2078 1 8 . 1 1 49 49 GLU C C 49 175.847 175.847 175.165 0.682 19487 2079 1 8 . 1 1 49 49 GLU CA C 49 59.213 59.213 55.900 3.313 19487 2080 1 8 . 1 1 49 49 GLU CB C 49 33.752 33.752 30.983 2.768 19487 2081 1 8 . 1 1 49 49 GLU H H 49 8.296 8.296 8.000 0.296 19487 2082 1 8 . 1 1 50 50 SER N N 50 118.313 118.313 119.993 -1.680 19487 2083 1 8 . 1 1 50 50 SER HA H 50 4.613 4.613 4.701 -0.088 19487 2084 1 8 . 1 1 50 50 SER CA C 50 47.633 47.633 54.333 -6.700 19487 2085 1 8 . 1 1 50 50 SER CB C 50 66.397 66.397 64.155 2.242 19487 2086 1 8 . 1 1 50 50 SER H H 50 8.344 8.344 8.355 -0.011 19487 2087 1 8 . 1 1 51 51 PRO HA H 51 4.400 4.400 4.455 -0.055 19487 2088 1 8 . 1 1 51 51 PRO C C 51 177.481 177.481 178.152 -0.671 19487 2089 1 8 . 1 1 51 51 PRO CA C 51 66.571 66.571 62.516 4.055 19487 2090 1 8 . 1 1 51 51 PRO CB C 51 35.162 35.162 32.715 2.447 19487 2091 1 8 . 1 1 52 52 GLY N N 52 109.070 109.070 108.028 1.042 19487 2092 1 8 . 1 1 52 52 GLY C C 52 173.969 173.969 176.338 -2.369 19487 2093 1 8 . 1 1 52 52 GLY CA C 52 48.147 48.147 47.020 1.127 19487 2094 1 8 . 1 1 52 52 GLY H H 52 8.345 8.345 8.646 -0.301 19487 2095 1 8 . 1 1 53 53 ASP N N 53 120.558 120.558 119.997 0.561 19487 2096 1 8 . 1 1 53 53 ASP HA H 53 4.589 4.589 4.482 0.107 19487 2097 1 8 . 1 1 53 53 ASP C C 53 176.133 176.133 177.047 -0.914 19487 2098 1 8 . 1 1 53 53 ASP CA C 53 57.417 57.417 56.560 0.857 19487 2099 1 8 . 1 1 53 53 ASP CB C 53 44.256 44.256 40.690 3.567 19487 2100 1 8 . 1 1 53 53 ASP H H 53 8.216 8.216 8.562 -0.346 19487 2101 1 8 . 1 1 54 54 ASP N N 54 120.383 120.383 119.178 1.205 19487 2102 1 8 . 1 1 54 54 ASP HA H 54 4.552 4.552 4.589 -0.037 19487 2103 1 8 . 1 1 54 54 ASP C C 54 175.904 175.904 177.322 -1.418 19487 2104 1 8 . 1 1 54 54 ASP CA C 54 57.311 57.311 54.559 2.752 19487 2105 1 8 . 1 1 54 54 ASP CB C 54 44.107 44.107 41.535 2.572 19487 2106 1 8 . 1 1 54 54 ASP H H 54 8.338 8.338 7.508 0.830 19487 2107 1 8 . 1 1 55 55 ALA N N 55 124.730 124.730 121.467 3.263 19487 2108 1 8 . 1 1 55 55 ALA HA H 55 4.383 4.383 4.258 0.125 19487 2109 1 8 . 1 1 55 55 ALA C C 55 176.939 176.939 177.171 -0.232 19487 2110 1 8 . 1 1 55 55 ALA CA C 55 55.436 55.436 53.323 2.113 19487 2111 1 8 . 1 1 55 55 ALA CB C 55 22.413 22.413 19.482 2.931 19487 2112 1 8 . 1 1 55 55 ALA H H 55 8.153 8.153 8.199 -0.046 19487 2113 1 9 . 1 1 2 2 SER N N 2 117.407 117.407 115.534 1.873 19487 2114 1 9 . 1 1 2 2 SER HA H 2 4.489 4.489 4.208 0.281 19487 2115 1 9 . 1 1 2 2 SER C C 2 176.003 176.003 174.840 1.163 19487 2116 1 9 . 1 1 2 2 SER CA C 2 61.265 61.265 60.735 0.530 19487 2117 1 9 . 1 1 2 2 SER CB C 2 66.930 66.930 63.349 3.581 19487 2118 1 9 . 1 1 2 2 SER H H 2 8.038 8.038 8.695 -0.657 19487 2119 1 9 . 1 1 3 3 ASP N N 3 122.561 122.561 119.416 3.145 19487 2120 1 9 . 1 1 3 3 ASP HA H 3 4.589 4.589 4.688 -0.099 19487 2121 1 9 . 1 1 3 3 ASP C C 3 175.831 175.831 175.807 0.024 19487 2122 1 9 . 1 1 3 3 ASP CA C 3 57.207 57.207 54.707 2.500 19487 2123 1 9 . 1 1 3 3 ASP CB C 3 44.183 44.183 41.456 2.727 19487 2124 1 9 . 1 1 3 3 ASP H H 3 8.506 8.506 8.255 0.251 19487 2125 1 9 . 1 1 4 4 LEU N N 4 123.656 123.656 120.566 3.090 19487 2126 1 9 . 1 1 4 4 LEU HA H 4 4.548 4.548 4.664 -0.116 19487 2127 1 9 . 1 1 4 4 LEU CA C 4 56.089 56.089 52.252 3.837 19487 2128 1 9 . 1 1 4 4 LEU H H 4 8.187 8.187 7.486 0.701 19487 2129 1 9 . 1 1 7 7 PRO HA H 7 4.361 4.361 4.565 -0.204 19487 2130 1 9 . 1 1 7 7 PRO C C 7 175.043 175.043 176.600 -1.557 19487 2131 1 9 . 1 1 7 7 PRO CA C 7 64.870 64.870 62.306 2.564 19487 2132 1 9 . 1 1 7 7 PRO CB C 7 35.143 35.143 32.524 2.619 19487 2133 1 9 . 1 1 8 8 SER N N 8 116.762 116.762 116.749 0.013 19487 2134 1 9 . 1 1 8 8 SER HA H 8 3.925 3.925 4.557 -0.632 19487 2135 1 9 . 1 1 8 8 SER CA C 8 60.475 60.475 56.130 4.345 19487 2136 1 9 . 1 1 8 8 SER CB C 8 65.096 65.096 62.637 2.459 19487 2137 1 9 . 1 1 8 8 SER H H 8 8.302 8.302 8.302 0.000 19487 2138 1 9 . 1 1 11 11 ALA HA H 11 4.218 4.218 4.252 -0.034 19487 2139 1 9 . 1 1 11 11 ALA C C 11 178.565 178.565 179.694 -1.129 19487 2140 1 9 . 1 1 11 11 ALA CA C 11 55.637 55.637 53.730 1.907 19487 2141 1 9 . 1 1 11 11 ALA CB C 11 21.863 21.863 18.722 3.141 19487 2142 1 9 . 1 1 12 12 ALA N N 12 125.155 125.155 121.294 3.861 19487 2143 1 9 . 1 1 12 12 ALA HA H 12 4.247 4.247 4.094 0.153 19487 2144 1 9 . 1 1 12 12 ALA C C 12 177.718 177.718 179.173 -1.455 19487 2145 1 9 . 1 1 12 12 ALA CA C 12 56.529 56.529 53.773 2.756 19487 2146 1 9 . 1 1 12 12 ALA CB C 12 22.033 22.033 18.293 3.740 19487 2147 1 9 . 1 1 12 12 ALA H H 12 8.596 8.596 8.298 0.298 19487 2148 1 9 . 1 1 13 13 ALA N N 13 122.474 122.474 119.796 2.678 19487 2149 1 9 . 1 1 13 13 ALA HA H 13 4.387 4.387 4.031 0.356 19487 2150 1 9 . 1 1 13 13 ALA C C 13 177.521 177.521 178.635 -1.114 19487 2151 1 9 . 1 1 13 13 ALA CA C 13 55.079 55.079 54.553 0.526 19487 2152 1 9 . 1 1 13 13 ALA CB C 13 22.732 22.732 18.540 4.192 19487 2153 1 9 . 1 1 13 13 ALA H H 13 8.117 8.117 7.926 0.191 19487 2154 1 9 . 1 1 14 14 THR N N 14 114.271 114.271 110.804 3.467 19487 2155 1 9 . 1 1 14 14 THR HA H 14 4.196 4.196 4.182 0.014 19487 2156 1 9 . 1 1 14 14 THR C C 14 174.319 174.319 175.389 -1.070 19487 2157 1 9 . 1 1 14 14 THR CA C 14 65.631 65.631 63.682 1.949 19487 2158 1 9 . 1 1 14 14 THR CB C 14 72.638 72.638 69.412 3.226 19487 2159 1 9 . 1 1 14 14 THR H H 14 8.202 8.202 7.537 0.665 19487 2160 1 9 . 1 1 15 15 ILE N N 15 125.881 125.881 122.189 3.692 19487 2161 1 9 . 1 1 15 15 ILE HA H 15 4.139 4.139 3.945 0.194 19487 2162 1 9 . 1 1 15 15 ILE C C 15 175.396 175.396 175.120 0.276 19487 2163 1 9 . 1 1 15 15 ILE CA C 15 64.025 64.025 61.101 2.924 19487 2164 1 9 . 1 1 15 15 ILE CB C 15 41.834 41.834 38.906 2.928 19487 2165 1 9 . 1 1 15 15 ILE H H 15 8.149 8.149 7.662 0.487 19487 2166 1 9 . 1 1 16 16 VAL N N 16 128.849 128.849 120.911 7.938 19487 2167 1 9 . 1 1 16 16 VAL HA H 16 4.104 4.104 3.959 0.145 19487 2168 1 9 . 1 1 16 16 VAL C C 16 175.476 175.476 175.069 0.407 19487 2169 1 9 . 1 1 16 16 VAL CA C 16 65.134 65.134 63.226 1.908 19487 2170 1 9 . 1 1 16 16 VAL CB C 16 35.473 35.473 32.123 3.350 19487 2171 1 9 . 1 1 16 16 VAL H H 16 8.453 8.453 8.151 0.302 19487 2172 1 9 . 1 1 17 17 LEU N N 17 128.264 128.264 126.404 1.860 19487 2173 1 9 . 1 1 17 17 LEU HA H 17 4.587 4.587 4.750 -0.163 19487 2174 1 9 . 1 1 17 17 LEU CA C 17 55.193 55.193 51.267 3.926 19487 2175 1 9 . 1 1 17 17 LEU CB C 17 45.309 45.309 44.433 0.876 19487 2176 1 9 . 1 1 17 17 LEU H H 17 8.538 8.538 8.083 0.455 19487 2177 1 9 . 1 1 19 19 PRO HA H 19 4.200 4.200 5.111 -0.911 19487 2178 1 9 . 1 1 19 19 PRO C C 19 176.905 176.905 177.962 -1.057 19487 2179 1 9 . 1 1 19 19 PRO CA C 19 66.913 66.913 65.003 1.910 19487 2180 1 9 . 1 1 19 19 PRO CB C 19 35.066 35.066 32.112 2.954 19487 2181 1 9 . 1 1 20 20 ASN N N 20 111.422 111.422 115.279 -3.857 19487 2182 1 9 . 1 1 20 20 ASN HA H 20 3.984 3.984 4.670 -0.686 19487 2183 1 9 . 1 1 20 20 ASN C C 20 172.258 172.258 175.355 -3.097 19487 2184 1 9 . 1 1 20 20 ASN CA C 20 58.148 58.148 53.949 4.199 19487 2185 1 9 . 1 1 20 20 ASN CB C 20 39.841 39.841 37.873 1.968 19487 2186 1 9 . 1 1 20 20 ASN H H 20 8.543 8.543 8.745 -0.202 19487 2187 1 9 . 1 1 21 21 TRP N N 21 117.593 117.593 120.576 -2.983 19487 2188 1 9 . 1 1 21 21 TRP HA H 21 5.082 5.082 4.891 0.191 19487 2189 1 9 . 1 1 21 21 TRP C C 21 175.610 175.610 175.798 -0.188 19487 2190 1 9 . 1 1 21 21 TRP CA C 21 60.096 60.096 56.757 3.339 19487 2191 1 9 . 1 1 21 21 TRP CB C 21 34.695 34.695 30.084 4.611 19487 2192 1 9 . 1 1 21 21 TRP H H 21 7.400 7.400 7.918 -0.518 19487 2193 1 9 . 1 1 22 22 LYS N N 22 121.362 121.362 120.898 0.464 19487 2194 1 9 . 1 1 22 22 LYS HA H 22 4.532 4.532 4.462 0.070 19487 2195 1 9 . 1 1 22 22 LYS C C 22 174.616 174.616 175.092 -0.476 19487 2196 1 9 . 1 1 22 22 LYS CA C 22 57.332 57.332 53.459 3.873 19487 2197 1 9 . 1 1 22 22 LYS CB C 22 40.444 40.444 36.389 4.055 19487 2198 1 9 . 1 1 22 22 LYS H H 22 9.007 9.007 9.100 -0.093 19487 2199 1 9 . 1 1 23 23 THR N N 23 108.761 108.761 111.337 -2.576 19487 2200 1 9 . 1 1 23 23 THR HA H 23 4.986 4.986 5.126 -0.140 19487 2201 1 9 . 1 1 23 23 THR C C 23 173.623 173.623 173.918 -0.295 19487 2202 1 9 . 1 1 23 23 THR CA C 23 62.791 62.791 59.910 2.881 19487 2203 1 9 . 1 1 23 23 THR CB C 23 74.679 74.679 70.820 3.859 19487 2204 1 9 . 1 1 23 23 THR H H 23 7.757 7.757 8.117 -0.360 19487 2205 1 9 . 1 1 24 24 ALA N N 24 124.455 124.455 125.852 -1.397 19487 2206 1 9 . 1 1 24 24 ALA HA H 24 4.332 4.332 4.771 -0.439 19487 2207 1 9 . 1 1 24 24 ALA C C 24 173.702 173.702 174.796 -1.094 19487 2208 1 9 . 1 1 24 24 ALA CA C 24 53.620 53.620 52.271 1.349 19487 2209 1 9 . 1 1 24 24 ALA CB C 24 24.927 24.927 21.926 3.001 19487 2210 1 9 . 1 1 24 24 ALA H H 24 8.352 8.352 8.101 0.251 19487 2211 1 9 . 1 1 25 25 ARG N N 25 115.144 115.144 118.230 -3.086 19487 2212 1 9 . 1 1 25 25 ARG HA H 25 5.339 5.339 5.393 -0.054 19487 2213 1 9 . 1 1 25 25 ARG C C 25 176.810 176.810 175.631 1.179 19487 2214 1 9 . 1 1 25 25 ARG CA C 25 56.600 56.600 55.021 1.579 19487 2215 1 9 . 1 1 25 25 ARG CB C 25 36.731 36.731 33.232 3.499 19487 2216 1 9 . 1 1 25 25 ARG H H 25 7.882 7.882 8.627 -0.745 19487 2217 1 9 . 1 1 26 26 ASP N N 26 126.595 126.595 122.347 4.248 19487 2218 1 9 . 1 1 26 26 ASP HA H 26 4.951 4.951 5.112 -0.161 19487 2219 1 9 . 1 1 26 26 ASP CA C 26 55.811 55.811 52.484 3.326 19487 2220 1 9 . 1 1 26 26 ASP CB C 26 43.672 43.672 41.687 1.985 19487 2221 1 9 . 1 1 26 26 ASP H H 26 9.402 9.402 8.728 0.674 19487 2222 1 9 . 1 1 27 27 PRO HA H 27 4.398 4.398 4.235 0.163 19487 2223 1 9 . 1 1 27 27 PRO C C 27 177.645 177.645 177.553 0.092 19487 2224 1 9 . 1 1 27 27 PRO CA C 27 68.772 68.772 65.133 3.639 19487 2225 1 9 . 1 1 27 27 PRO CB C 27 35.111 35.111 31.869 3.242 19487 2226 1 9 . 1 1 28 28 GLU N N 28 115.064 115.064 118.404 -3.340 19487 2227 1 9 . 1 1 28 28 GLU HA H 28 4.434 4.434 4.399 0.035 19487 2228 1 9 . 1 1 28 28 GLU C C 28 176.259 176.259 176.605 -0.346 19487 2229 1 9 . 1 1 28 28 GLU CA C 28 58.837 58.837 55.819 3.018 19487 2230 1 9 . 1 1 28 28 GLU CB C 28 33.536 33.536 27.150 6.386 19487 2231 1 9 . 1 1 28 28 GLU H H 28 7.970 7.970 8.483 -0.513 19487 2232 1 9 . 1 1 29 29 GLY N N 29 107.797 107.797 107.765 0.032 19487 2233 1 9 . 1 1 29 29 GLY C C 29 175.283 175.283 174.669 0.614 19487 2234 1 9 . 1 1 29 29 GLY CA C 29 48.501 48.501 46.160 2.341 19487 2235 1 9 . 1 1 29 29 GLY H H 29 8.445 8.445 7.761 0.684 19487 2236 1 9 . 1 1 30 30 LYS N N 30 124.471 124.471 120.151 4.320 19487 2237 1 9 . 1 1 30 30 LYS C C 30 176.712 176.712 174.831 1.881 19487 2238 1 9 . 1 1 30 30 LYS CA C 30 60.736 60.736 55.534 5.202 19487 2239 1 9 . 1 1 30 30 LYS CB C 30 35.661 35.661 33.612 2.049 19487 2240 1 9 . 1 1 30 30 LYS H H 30 9.011 9.011 7.773 1.238 19487 2241 1 9 . 1 1 31 31 ILE N N 31 125.370 125.370 123.155 2.215 19487 2242 1 9 . 1 1 31 31 ILE HA H 31 4.790 4.790 4.453 0.337 19487 2243 1 9 . 1 1 31 31 ILE C C 31 174.765 174.765 174.052 0.713 19487 2244 1 9 . 1 1 31 31 ILE CA C 31 64.312 64.312 60.476 3.836 19487 2245 1 9 . 1 1 31 31 ILE CB C 31 42.514 42.514 40.271 2.243 19487 2246 1 9 . 1 1 31 31 ILE H H 31 8.425 8.425 8.243 0.182 19487 2247 1 9 . 1 1 32 32 TYR N N 32 121.507 121.507 124.923 -3.416 19487 2248 1 9 . 1 1 32 32 TYR HA H 32 4.910 4.910 4.883 0.027 19487 2249 1 9 . 1 1 32 32 TYR C C 32 170.944 170.944 174.229 -3.285 19487 2250 1 9 . 1 1 32 32 TYR CA C 32 58.548 58.548 55.692 2.856 19487 2251 1 9 . 1 1 32 32 TYR CB C 32 42.647 42.647 41.997 0.650 19487 2252 1 9 . 1 1 32 32 TYR H H 32 8.673 8.673 9.109 -0.436 19487 2253 1 9 . 1 1 33 33 TYR N N 33 116.433 116.433 115.840 0.593 19487 2254 1 9 . 1 1 33 33 TYR HA H 33 5.415 5.415 5.054 0.361 19487 2255 1 9 . 1 1 33 33 TYR C C 33 175.515 175.515 175.322 0.193 19487 2256 1 9 . 1 1 33 33 TYR CA C 33 59.550 59.550 56.131 3.419 19487 2257 1 9 . 1 1 33 33 TYR CB C 33 45.035 45.035 41.316 3.720 19487 2258 1 9 . 1 1 33 33 TYR H H 33 8.700 8.700 8.566 0.134 19487 2259 1 9 . 1 1 34 34 TYR N N 34 117.980 117.980 120.446 -2.466 19487 2260 1 9 . 1 1 34 34 TYR HA H 34 6.018 6.018 5.463 0.555 19487 2261 1 9 . 1 1 34 34 TYR C C 34 171.057 171.057 175.200 -4.143 19487 2262 1 9 . 1 1 34 34 TYR CA C 34 58.465 58.465 55.999 2.466 19487 2263 1 9 . 1 1 34 34 TYR CB C 34 46.750 46.750 40.668 6.082 19487 2264 1 9 . 1 1 34 34 TYR H H 34 9.324 9.324 9.494 -0.170 19487 2265 1 9 . 1 1 35 35 HIS N N 35 124.333 124.333 124.707 -0.374 19487 2266 1 9 . 1 1 35 35 HIS HA H 35 3.878 3.878 5.236 -1.358 19487 2267 1 9 . 1 1 35 35 HIS C C 35 178.739 178.739 175.838 2.901 19487 2268 1 9 . 1 1 35 35 HIS CA C 35 57.747 57.747 56.322 1.425 19487 2269 1 9 . 1 1 35 35 HIS CB C 35 35.302 35.302 31.549 3.753 19487 2270 1 9 . 1 1 35 35 HIS H H 35 7.704 7.704 9.625 -1.921 19487 2271 1 9 . 1 1 36 36 VAL N N 36 123.002 123.002 123.275 -0.273 19487 2272 1 9 . 1 1 36 36 VAL HA H 36 3.753 3.753 3.904 -0.151 19487 2273 1 9 . 1 1 36 36 VAL C C 36 176.638 176.638 176.771 -0.133 19487 2274 1 9 . 1 1 36 36 VAL CA C 36 67.697 67.697 65.838 1.859 19487 2275 1 9 . 1 1 36 36 VAL CB C 36 35.060 35.060 31.800 3.260 19487 2276 1 9 . 1 1 36 36 VAL H H 36 8.559 8.559 8.659 -0.100 19487 2277 1 9 . 1 1 37 37 ILE N N 37 120.608 120.608 118.766 1.842 19487 2278 1 9 . 1 1 37 37 ILE HA H 37 4.194 4.194 3.822 0.372 19487 2279 1 9 . 1 1 37 37 ILE C C 37 178.269 178.269 177.029 1.240 19487 2280 1 9 . 1 1 37 37 ILE CA C 37 65.546 65.546 64.910 0.636 19487 2281 1 9 . 1 1 37 37 ILE CB C 37 41.259 41.259 37.645 3.614 19487 2282 1 9 . 1 1 37 37 ILE H H 37 8.904 8.904 8.342 0.562 19487 2283 1 9 . 1 1 38 38 THR N N 38 112.000 112.000 110.073 1.927 19487 2284 1 9 . 1 1 38 38 THR HA H 38 4.014 4.014 4.176 -0.162 19487 2285 1 9 . 1 1 38 38 THR C C 38 176.608 176.608 174.951 1.657 19487 2286 1 9 . 1 1 38 38 THR CA C 38 66.181 66.181 62.965 3.216 19487 2287 1 9 . 1 1 38 38 THR CB C 38 72.340 72.340 69.096 3.244 19487 2288 1 9 . 1 1 38 38 THR H H 38 8.942 8.942 7.975 0.967 19487 2289 1 9 . 1 1 39 39 ARG N N 39 113.683 113.683 117.978 -4.295 19487 2290 1 9 . 1 1 39 39 ARG HA H 39 4.019 4.019 4.137 -0.118 19487 2291 1 9 . 1 1 39 39 ARG C C 39 174.659 174.659 174.958 -0.299 19487 2292 1 9 . 1 1 39 39 ARG CA C 39 59.924 59.924 57.261 2.663 19487 2293 1 9 . 1 1 39 39 ARG CB C 39 28.994 28.994 27.212 1.782 19487 2294 1 9 . 1 1 39 39 ARG H H 39 8.111 8.111 8.081 0.030 19487 2295 1 9 . 1 1 40 40 GLN N N 40 118.822 118.822 116.988 1.834 19487 2296 1 9 . 1 1 40 40 GLN HA H 40 4.335 4.335 4.705 -0.370 19487 2297 1 9 . 1 1 40 40 GLN C C 40 174.969 174.969 174.643 0.326 19487 2298 1 9 . 1 1 40 40 GLN CA C 40 59.216 59.216 54.111 5.105 19487 2299 1 9 . 1 1 40 40 GLN CB C 40 32.661 32.661 33.492 -0.831 19487 2300 1 9 . 1 1 40 40 GLN H H 40 7.740 7.740 7.959 -0.219 19487 2301 1 9 . 1 1 41 41 THR N N 41 110.403 110.403 114.770 -4.367 19487 2302 1 9 . 1 1 41 41 THR HA H 41 5.868 5.868 5.720 0.148 19487 2303 1 9 . 1 1 41 41 THR C C 41 174.918 174.918 173.663 1.255 19487 2304 1 9 . 1 1 41 41 THR CA C 41 62.191 62.191 60.479 1.712 19487 2305 1 9 . 1 1 41 41 THR CB C 41 76.145 76.145 70.728 5.417 19487 2306 1 9 . 1 1 41 41 THR H H 41 8.192 8.192 8.542 -0.350 19487 2307 1 9 . 1 1 42 42 GLN N N 42 113.850 113.850 127.590 -13.740 19487 2308 1 9 . 1 1 42 42 GLN HA H 42 4.785 4.785 4.893 -0.108 19487 2309 1 9 . 1 1 42 42 GLN C C 42 174.918 174.918 174.925 -0.007 19487 2310 1 9 . 1 1 42 42 GLN CA C 42 58.285 58.285 54.853 3.432 19487 2311 1 9 . 1 1 42 42 GLN CB C 42 35.073 35.073 31.593 3.481 19487 2312 1 9 . 1 1 42 42 GLN H H 42 9.120 9.120 8.821 0.299 19487 2313 1 9 . 1 1 43 43 TRP N N 43 120.166 120.166 126.788 -6.622 19487 2314 1 9 . 1 1 43 43 TRP HA H 43 5.119 5.119 4.646 0.473 19487 2315 1 9 . 1 1 43 43 TRP C C 43 176.115 176.115 175.834 0.281 19487 2316 1 9 . 1 1 43 43 TRP CA C 43 62.184 62.184 59.697 2.487 19487 2317 1 9 . 1 1 43 43 TRP CB C 43 34.495 34.495 30.528 3.967 19487 2318 1 9 . 1 1 43 43 TRP H H 43 9.019 9.019 9.100 -0.081 19487 2319 1 9 . 1 1 44 44 ASP N N 44 115.913 115.913 118.603 -2.690 19487 2320 1 9 . 1 1 44 44 ASP HA H 44 5.113 5.113 4.467 0.646 19487 2321 1 9 . 1 1 44 44 ASP CA C 44 54.787 54.787 53.866 0.921 19487 2322 1 9 . 1 1 44 44 ASP CB C 44 43.540 43.540 40.420 3.120 19487 2323 1 9 . 1 1 44 44 ASP H H 44 7.976 7.976 8.417 -0.441 19487 2324 1 9 . 1 1 46 46 PRO HA H 46 3.808 3.808 4.164 -0.356 19487 2325 1 9 . 1 1 46 46 PRO C C 46 175.510 175.510 176.498 -0.988 19487 2326 1 9 . 1 1 46 46 PRO CA C 46 64.219 64.219 62.201 2.018 19487 2327 1 9 . 1 1 46 46 PRO CB C 46 33.572 33.572 32.179 1.393 19487 2328 1 9 . 1 1 47 47 THR N N 47 112.072 112.072 115.188 -3.116 19487 2329 1 9 . 1 1 47 47 THR HA H 47 4.234 4.234 2.975 1.259 19487 2330 1 9 . 1 1 47 47 THR C C 47 174.205 174.205 175.319 -1.114 19487 2331 1 9 . 1 1 47 47 THR CA C 47 63.797 63.797 63.801 -0.004 19487 2332 1 9 . 1 1 47 47 THR CB C 47 73.250 73.250 68.155 5.095 19487 2333 1 9 . 1 1 47 47 THR H H 47 7.690 7.690 7.664 0.026 19487 2334 1 9 . 1 1 48 48 TRP N N 48 123.257 123.257 118.620 4.637 19487 2335 1 9 . 1 1 48 48 TRP HA H 48 4.404 4.404 4.404 -0.000 19487 2336 1 9 . 1 1 48 48 TRP C C 48 175.934 175.934 176.508 -0.574 19487 2337 1 9 . 1 1 48 48 TRP CA C 48 60.797 60.797 57.944 2.853 19487 2338 1 9 . 1 1 48 48 TRP CB C 48 32.345 32.345 29.458 2.887 19487 2339 1 9 . 1 1 48 48 TRP H H 48 8.480 8.480 7.320 1.160 19487 2340 1 9 . 1 1 49 49 GLU N N 49 122.782 122.782 119.466 3.316 19487 2341 1 9 . 1 1 49 49 GLU HA H 49 4.273 4.273 4.529 -0.256 19487 2342 1 9 . 1 1 49 49 GLU C C 49 175.847 175.847 175.773 0.074 19487 2343 1 9 . 1 1 49 49 GLU CA C 49 59.213 59.213 55.825 3.388 19487 2344 1 9 . 1 1 49 49 GLU CB C 49 33.752 33.752 31.139 2.613 19487 2345 1 9 . 1 1 49 49 GLU H H 49 8.296 8.296 7.972 0.324 19487 2346 1 9 . 1 1 50 50 SER N N 50 118.313 118.313 122.911 -4.598 19487 2347 1 9 . 1 1 50 50 SER HA H 50 4.613 4.613 4.756 -0.143 19487 2348 1 9 . 1 1 50 50 SER CA C 50 47.633 47.633 55.393 -7.760 19487 2349 1 9 . 1 1 50 50 SER CB C 50 66.397 66.397 63.457 2.940 19487 2350 1 9 . 1 1 50 50 SER H H 50 8.344 8.344 8.493 -0.149 19487 2351 1 9 . 1 1 51 51 PRO HA H 51 4.400 4.400 4.506 -0.106 19487 2352 1 9 . 1 1 51 51 PRO C C 51 177.481 177.481 177.918 -0.437 19487 2353 1 9 . 1 1 51 51 PRO CA C 51 66.571 66.571 62.505 4.066 19487 2354 1 9 . 1 1 51 51 PRO CB C 51 35.162 35.162 32.545 2.617 19487 2355 1 9 . 1 1 52 52 GLY N N 52 109.070 109.070 106.942 2.128 19487 2356 1 9 . 1 1 52 52 GLY C C 52 173.969 173.969 174.894 -0.925 19487 2357 1 9 . 1 1 52 52 GLY CA C 52 48.147 48.147 46.324 1.823 19487 2358 1 9 . 1 1 52 52 GLY H H 52 8.345 8.345 8.582 -0.236 19487 2359 1 9 . 1 1 53 53 ASP N N 53 120.558 120.558 120.949 -0.391 19487 2360 1 9 . 1 1 53 53 ASP HA H 53 4.589 4.589 4.524 0.065 19487 2361 1 9 . 1 1 53 53 ASP C C 53 176.133 176.133 176.909 -0.776 19487 2362 1 9 . 1 1 53 53 ASP CA C 53 57.417 57.417 56.075 1.343 19487 2363 1 9 . 1 1 53 53 ASP CB C 53 44.256 44.256 40.399 3.857 19487 2364 1 9 . 1 1 53 53 ASP H H 53 8.216 8.216 8.394 -0.178 19487 2365 1 9 . 1 1 54 54 ASP N N 54 120.383 120.383 117.645 2.738 19487 2366 1 9 . 1 1 54 54 ASP HA H 54 4.552 4.552 4.540 0.012 19487 2367 1 9 . 1 1 54 54 ASP C C 54 175.904 175.904 176.001 -0.097 19487 2368 1 9 . 1 1 54 54 ASP CA C 54 57.311 57.311 54.593 2.718 19487 2369 1 9 . 1 1 54 54 ASP CB C 54 44.107 44.107 41.453 2.654 19487 2370 1 9 . 1 1 54 54 ASP H H 54 8.338 8.338 8.058 0.280 19487 2371 1 9 . 1 1 55 55 ALA N N 55 124.730 124.730 120.848 3.882 19487 2372 1 9 . 1 1 55 55 ALA HA H 55 4.383 4.383 4.047 0.336 19487 2373 1 9 . 1 1 55 55 ALA C C 55 176.939 176.939 175.125 1.814 19487 2374 1 9 . 1 1 55 55 ALA CA C 55 55.436 55.436 52.745 2.691 19487 2375 1 9 . 1 1 55 55 ALA CB C 55 22.413 22.413 18.735 3.678 19487 2376 1 9 . 1 1 55 55 ALA H H 55 8.153 8.153 7.944 0.209 19487 2377 1 10 . 1 1 2 2 SER N N 2 117.407 117.407 115.739 1.668 19487 2378 1 10 . 1 1 2 2 SER HA H 2 4.489 4.489 4.511 -0.022 19487 2379 1 10 . 1 1 2 2 SER C C 2 176.003 176.003 175.176 0.827 19487 2380 1 10 . 1 1 2 2 SER CA C 2 61.265 61.265 59.608 1.657 19487 2381 1 10 . 1 1 2 2 SER CB C 2 66.930 66.930 63.451 3.479 19487 2382 1 10 . 1 1 2 2 SER H H 2 8.038 8.038 8.400 -0.362 19487 2383 1 10 . 1 1 3 3 ASP N N 3 122.561 122.561 120.264 2.297 19487 2384 1 10 . 1 1 3 3 ASP HA H 3 4.589 4.589 4.560 0.029 19487 2385 1 10 . 1 1 3 3 ASP C C 3 175.831 175.831 175.656 0.175 19487 2386 1 10 . 1 1 3 3 ASP CA C 3 57.207 57.207 55.155 2.052 19487 2387 1 10 . 1 1 3 3 ASP CB C 3 44.183 44.183 41.112 3.071 19487 2388 1 10 . 1 1 3 3 ASP H H 3 8.506 8.506 8.094 0.412 19487 2389 1 10 . 1 1 4 4 LEU N N 4 123.656 123.656 121.448 2.208 19487 2390 1 10 . 1 1 4 4 LEU HA H 4 4.548 4.548 4.768 -0.220 19487 2391 1 10 . 1 1 4 4 LEU CA C 4 56.089 56.089 52.199 3.890 19487 2392 1 10 . 1 1 4 4 LEU H H 4 8.187 8.187 7.498 0.689 19487 2393 1 10 . 1 1 7 7 PRO HA H 7 4.361 4.361 4.563 -0.202 19487 2394 1 10 . 1 1 7 7 PRO C C 7 175.043 175.043 176.014 -0.971 19487 2395 1 10 . 1 1 7 7 PRO CA C 7 64.870 64.870 62.008 2.862 19487 2396 1 10 . 1 1 7 7 PRO CB C 7 35.143 35.143 32.866 2.277 19487 2397 1 10 . 1 1 8 8 SER N N 8 116.762 116.762 115.926 0.836 19487 2398 1 10 . 1 1 8 8 SER HA H 8 3.925 3.925 4.608 -0.683 19487 2399 1 10 . 1 1 8 8 SER CA C 8 60.475 60.475 55.644 4.831 19487 2400 1 10 . 1 1 8 8 SER CB C 8 65.096 65.096 63.933 1.163 19487 2401 1 10 . 1 1 8 8 SER H H 8 8.302 8.302 8.327 -0.025 19487 2402 1 10 . 1 1 11 11 ALA HA H 11 4.218 4.218 4.052 0.166 19487 2403 1 10 . 1 1 11 11 ALA C C 11 178.565 178.565 179.335 -0.770 19487 2404 1 10 . 1 1 11 11 ALA CA C 11 55.637 55.637 54.231 1.406 19487 2405 1 10 . 1 1 11 11 ALA CB C 11 21.863 21.863 18.282 3.581 19487 2406 1 10 . 1 1 12 12 ALA N N 12 125.155 125.155 121.010 4.145 19487 2407 1 10 . 1 1 12 12 ALA HA H 12 4.247 4.247 4.167 0.080 19487 2408 1 10 . 1 1 12 12 ALA C C 12 177.718 177.718 179.287 -1.569 19487 2409 1 10 . 1 1 12 12 ALA CA C 12 56.529 56.529 54.099 2.430 19487 2410 1 10 . 1 1 12 12 ALA CB C 12 22.033 22.033 18.065 3.968 19487 2411 1 10 . 1 1 12 12 ALA H H 12 8.596 8.596 8.508 0.088 19487 2412 1 10 . 1 1 13 13 ALA N N 13 122.474 122.474 119.978 2.496 19487 2413 1 10 . 1 1 13 13 ALA HA H 13 4.387 4.387 4.133 0.254 19487 2414 1 10 . 1 1 13 13 ALA C C 13 177.521 177.521 178.463 -0.942 19487 2415 1 10 . 1 1 13 13 ALA CA C 13 55.079 55.079 54.345 0.734 19487 2416 1 10 . 1 1 13 13 ALA CB C 13 22.732 22.732 18.121 4.611 19487 2417 1 10 . 1 1 13 13 ALA H H 13 8.117 8.117 7.400 0.717 19487 2418 1 10 . 1 1 14 14 THR N N 14 114.271 114.271 112.178 2.093 19487 2419 1 10 . 1 1 14 14 THR HA H 14 4.196 4.196 4.186 0.010 19487 2420 1 10 . 1 1 14 14 THR C C 14 174.319 174.319 175.532 -1.213 19487 2421 1 10 . 1 1 14 14 THR CA C 14 65.631 65.631 63.999 1.632 19487 2422 1 10 . 1 1 14 14 THR CB C 14 72.638 72.638 69.302 3.336 19487 2423 1 10 . 1 1 14 14 THR H H 14 8.202 8.202 7.508 0.694 19487 2424 1 10 . 1 1 15 15 ILE N N 15 125.881 125.881 121.478 4.403 19487 2425 1 10 . 1 1 15 15 ILE HA H 15 4.139 4.139 3.967 0.172 19487 2426 1 10 . 1 1 15 15 ILE C C 15 175.396 175.396 175.642 -0.246 19487 2427 1 10 . 1 1 15 15 ILE CA C 15 64.025 64.025 61.770 2.255 19487 2428 1 10 . 1 1 15 15 ILE CB C 15 41.834 41.834 38.642 3.192 19487 2429 1 10 . 1 1 15 15 ILE H H 15 8.149 8.149 7.522 0.627 19487 2430 1 10 . 1 1 16 16 VAL N N 16 128.849 128.849 120.063 8.786 19487 2431 1 10 . 1 1 16 16 VAL HA H 16 4.104 4.104 4.189 -0.085 19487 2432 1 10 . 1 1 16 16 VAL C C 16 175.476 175.476 175.074 0.402 19487 2433 1 10 . 1 1 16 16 VAL CA C 16 65.134 65.134 63.305 1.829 19487 2434 1 10 . 1 1 16 16 VAL CB C 16 35.473 35.473 32.050 3.423 19487 2435 1 10 . 1 1 16 16 VAL H H 16 8.453 8.453 8.013 0.440 19487 2436 1 10 . 1 1 17 17 LEU N N 17 128.264 128.264 124.845 3.419 19487 2437 1 10 . 1 1 17 17 LEU HA H 17 4.587 4.587 4.935 -0.348 19487 2438 1 10 . 1 1 17 17 LEU CA C 17 55.193 55.193 51.211 3.982 19487 2439 1 10 . 1 1 17 17 LEU CB C 17 45.309 45.309 45.149 0.160 19487 2440 1 10 . 1 1 17 17 LEU H H 17 8.538 8.538 8.132 0.406 19487 2441 1 10 . 1 1 19 19 PRO HA H 19 4.200 4.200 4.517 -0.317 19487 2442 1 10 . 1 1 19 19 PRO C C 19 176.905 176.905 176.832 0.073 19487 2443 1 10 . 1 1 19 19 PRO CA C 19 66.913 66.913 64.197 2.716 19487 2444 1 10 . 1 1 19 19 PRO CB C 19 35.066 35.066 31.876 3.190 19487 2445 1 10 . 1 1 20 20 ASN N N 20 111.422 111.422 114.198 -2.776 19487 2446 1 10 . 1 1 20 20 ASN HA H 20 3.984 3.984 4.483 -0.499 19487 2447 1 10 . 1 1 20 20 ASN C C 20 172.258 172.258 175.813 -3.555 19487 2448 1 10 . 1 1 20 20 ASN CA C 20 58.148 58.148 53.421 4.727 19487 2449 1 10 . 1 1 20 20 ASN CB C 20 39.841 39.841 37.888 1.953 19487 2450 1 10 . 1 1 20 20 ASN H H 20 8.543 8.543 8.276 0.267 19487 2451 1 10 . 1 1 21 21 TRP N N 21 117.593 117.593 120.202 -2.609 19487 2452 1 10 . 1 1 21 21 TRP HA H 21 5.082 5.082 4.905 0.177 19487 2453 1 10 . 1 1 21 21 TRP C C 21 175.610 175.610 175.330 0.280 19487 2454 1 10 . 1 1 21 21 TRP CA C 21 60.096 60.096 56.705 3.391 19487 2455 1 10 . 1 1 21 21 TRP CB C 21 34.695 34.695 30.294 4.401 19487 2456 1 10 . 1 1 21 21 TRP H H 21 7.400 7.400 7.375 0.025 19487 2457 1 10 . 1 1 22 22 LYS N N 22 121.362 121.362 120.879 0.483 19487 2458 1 10 . 1 1 22 22 LYS HA H 22 4.532 4.532 4.372 0.160 19487 2459 1 10 . 1 1 22 22 LYS C C 22 174.616 174.616 175.399 -0.783 19487 2460 1 10 . 1 1 22 22 LYS CA C 22 57.332 57.332 53.516 3.816 19487 2461 1 10 . 1 1 22 22 LYS CB C 22 40.444 40.444 36.601 3.843 19487 2462 1 10 . 1 1 22 22 LYS H H 22 9.007 9.007 8.506 0.501 19487 2463 1 10 . 1 1 23 23 THR N N 23 108.761 108.761 111.789 -3.028 19487 2464 1 10 . 1 1 23 23 THR HA H 23 4.986 4.986 5.285 -0.299 19487 2465 1 10 . 1 1 23 23 THR C C 23 173.623 173.623 173.706 -0.083 19487 2466 1 10 . 1 1 23 23 THR CA C 23 62.791 62.791 60.338 2.453 19487 2467 1 10 . 1 1 23 23 THR CB C 23 74.679 74.679 70.213 4.466 19487 2468 1 10 . 1 1 23 23 THR H H 23 7.757 7.757 8.271 -0.514 19487 2469 1 10 . 1 1 24 24 ALA N N 24 124.455 124.455 126.724 -2.269 19487 2470 1 10 . 1 1 24 24 ALA HA H 24 4.332 4.332 4.675 -0.343 19487 2471 1 10 . 1 1 24 24 ALA C C 24 173.702 173.702 174.080 -0.378 19487 2472 1 10 . 1 1 24 24 ALA CA C 24 53.620 53.620 51.233 2.387 19487 2473 1 10 . 1 1 24 24 ALA CB C 24 24.927 24.927 22.546 2.381 19487 2474 1 10 . 1 1 24 24 ALA H H 24 8.352 8.352 8.665 -0.313 19487 2475 1 10 . 1 1 25 25 ARG N N 25 115.144 115.144 120.219 -5.075 19487 2476 1 10 . 1 1 25 25 ARG HA H 25 5.339 5.339 5.090 0.249 19487 2477 1 10 . 1 1 25 25 ARG C C 25 176.810 176.810 175.037 1.773 19487 2478 1 10 . 1 1 25 25 ARG CA C 25 56.600 56.600 54.708 1.892 19487 2479 1 10 . 1 1 25 25 ARG CB C 25 36.731 36.731 33.528 3.203 19487 2480 1 10 . 1 1 25 25 ARG H H 25 7.882 7.882 8.332 -0.450 19487 2481 1 10 . 1 1 26 26 ASP N N 26 126.595 126.595 125.234 1.361 19487 2482 1 10 . 1 1 26 26 ASP HA H 26 4.951 4.951 5.009 -0.058 19487 2483 1 10 . 1 1 26 26 ASP CA C 26 55.811 55.811 52.160 3.651 19487 2484 1 10 . 1 1 26 26 ASP CB C 26 43.672 43.672 40.887 2.785 19487 2485 1 10 . 1 1 26 26 ASP H H 26 9.402 9.402 8.981 0.421 19487 2486 1 10 . 1 1 27 27 PRO HA H 27 4.398 4.398 4.290 0.108 19487 2487 1 10 . 1 1 27 27 PRO C C 27 177.645 177.645 177.478 0.167 19487 2488 1 10 . 1 1 27 27 PRO CA C 27 68.772 68.772 64.663 4.109 19487 2489 1 10 . 1 1 27 27 PRO CB C 27 35.111 35.111 31.925 3.186 19487 2490 1 10 . 1 1 28 28 GLU N N 28 115.064 115.064 119.167 -4.103 19487 2491 1 10 . 1 1 28 28 GLU HA H 28 4.434 4.434 4.403 0.031 19487 2492 1 10 . 1 1 28 28 GLU C C 28 176.259 176.259 176.257 0.002 19487 2493 1 10 . 1 1 28 28 GLU CA C 28 58.837 58.837 55.646 3.191 19487 2494 1 10 . 1 1 28 28 GLU CB C 28 33.536 33.536 27.702 5.834 19487 2495 1 10 . 1 1 28 28 GLU H H 28 7.970 7.970 8.059 -0.089 19487 2496 1 10 . 1 1 29 29 GLY N N 29 107.797 107.797 107.536 0.261 19487 2497 1 10 . 1 1 29 29 GLY C C 29 175.283 175.283 174.311 0.972 19487 2498 1 10 . 1 1 29 29 GLY CA C 29 48.501 48.501 45.778 2.723 19487 2499 1 10 . 1 1 29 29 GLY H H 29 8.445 8.445 7.713 0.732 19487 2500 1 10 . 1 1 30 30 LYS N N 30 124.471 124.471 120.507 3.964 19487 2501 1 10 . 1 1 30 30 LYS C C 30 176.712 176.712 174.485 2.227 19487 2502 1 10 . 1 1 30 30 LYS CA C 30 60.736 60.736 54.885 5.851 19487 2503 1 10 . 1 1 30 30 LYS CB C 30 35.661 35.661 34.002 1.659 19487 2504 1 10 . 1 1 30 30 LYS H H 30 9.011 9.011 7.396 1.615 19487 2505 1 10 . 1 1 31 31 ILE N N 31 125.370 125.370 125.759 -0.389 19487 2506 1 10 . 1 1 31 31 ILE HA H 31 4.790 4.790 4.473 0.317 19487 2507 1 10 . 1 1 31 31 ILE C C 31 174.765 174.765 174.222 0.543 19487 2508 1 10 . 1 1 31 31 ILE CA C 31 64.312 64.312 58.854 5.458 19487 2509 1 10 . 1 1 31 31 ILE CB C 31 42.514 42.514 40.362 2.152 19487 2510 1 10 . 1 1 31 31 ILE H H 31 8.425 8.425 8.020 0.405 19487 2511 1 10 . 1 1 32 32 TYR N N 32 121.507 121.507 123.042 -1.535 19487 2512 1 10 . 1 1 32 32 TYR HA H 32 4.910 4.910 4.990 -0.080 19487 2513 1 10 . 1 1 32 32 TYR C C 32 170.944 170.944 173.390 -2.446 19487 2514 1 10 . 1 1 32 32 TYR CA C 32 58.548 58.548 55.507 3.041 19487 2515 1 10 . 1 1 32 32 TYR CB C 32 42.647 42.647 40.680 1.967 19487 2516 1 10 . 1 1 32 32 TYR H H 32 8.673 8.673 8.704 -0.031 19487 2517 1 10 . 1 1 33 33 TYR N N 33 116.433 116.433 117.082 -0.649 19487 2518 1 10 . 1 1 33 33 TYR HA H 33 5.415 5.415 6.020 -0.605 19487 2519 1 10 . 1 1 33 33 TYR C C 33 175.515 175.515 175.659 -0.144 19487 2520 1 10 . 1 1 33 33 TYR CA C 33 59.550 59.550 55.746 3.804 19487 2521 1 10 . 1 1 33 33 TYR CB C 33 45.035 45.035 41.869 3.166 19487 2522 1 10 . 1 1 33 33 TYR H H 33 8.700 8.700 8.302 0.398 19487 2523 1 10 . 1 1 34 34 TYR N N 34 117.980 117.980 116.011 1.969 19487 2524 1 10 . 1 1 34 34 TYR HA H 34 6.018 6.018 5.796 0.222 19487 2525 1 10 . 1 1 34 34 TYR C C 34 171.057 171.057 174.815 -3.758 19487 2526 1 10 . 1 1 34 34 TYR CA C 34 58.465 58.465 55.626 2.839 19487 2527 1 10 . 1 1 34 34 TYR CB C 34 46.750 46.750 41.010 5.740 19487 2528 1 10 . 1 1 34 34 TYR H H 34 9.324 9.324 9.100 0.224 19487 2529 1 10 . 1 1 35 35 HIS N N 35 124.333 124.333 122.682 1.651 19487 2530 1 10 . 1 1 35 35 HIS HA H 35 3.878 3.878 5.059 -1.181 19487 2531 1 10 . 1 1 35 35 HIS C C 35 178.739 178.739 175.576 3.163 19487 2532 1 10 . 1 1 35 35 HIS CA C 35 57.747 57.747 55.138 2.609 19487 2533 1 10 . 1 1 35 35 HIS CB C 35 35.302 35.302 32.902 2.400 19487 2534 1 10 . 1 1 35 35 HIS H H 35 7.704 7.704 9.492 -1.788 19487 2535 1 10 . 1 1 36 36 VAL N N 36 123.002 123.002 122.057 0.945 19487 2536 1 10 . 1 1 36 36 VAL HA H 36 3.753 3.753 4.185 -0.432 19487 2537 1 10 . 1 1 36 36 VAL C C 36 176.638 176.638 176.751 -0.113 19487 2538 1 10 . 1 1 36 36 VAL CA C 36 67.697 67.697 64.558 3.139 19487 2539 1 10 . 1 1 36 36 VAL CB C 36 35.060 35.060 31.859 3.201 19487 2540 1 10 . 1 1 36 36 VAL H H 36 8.559 8.559 8.710 -0.151 19487 2541 1 10 . 1 1 37 37 ILE N N 37 120.608 120.608 121.811 -1.203 19487 2542 1 10 . 1 1 37 37 ILE HA H 37 4.194 4.194 3.980 0.214 19487 2543 1 10 . 1 1 37 37 ILE C C 37 178.269 178.269 177.923 0.346 19487 2544 1 10 . 1 1 37 37 ILE CA C 37 65.546 65.546 64.241 1.305 19487 2545 1 10 . 1 1 37 37 ILE CB C 37 41.259 41.259 37.712 3.547 19487 2546 1 10 . 1 1 37 37 ILE H H 37 8.904 8.904 7.877 1.027 19487 2547 1 10 . 1 1 38 38 THR N N 38 112.000 112.000 112.349 -0.349 19487 2548 1 10 . 1 1 38 38 THR HA H 38 4.014 4.014 4.177 -0.163 19487 2549 1 10 . 1 1 38 38 THR C C 38 176.608 176.608 174.690 1.918 19487 2550 1 10 . 1 1 38 38 THR CA C 38 66.181 66.181 63.365 2.816 19487 2551 1 10 . 1 1 38 38 THR CB C 38 72.340 72.340 68.981 3.359 19487 2552 1 10 . 1 1 38 38 THR H H 38 8.942 8.942 8.275 0.667 19487 2553 1 10 . 1 1 39 39 ARG N N 39 113.683 113.683 117.857 -4.174 19487 2554 1 10 . 1 1 39 39 ARG HA H 39 4.019 4.019 4.196 -0.177 19487 2555 1 10 . 1 1 39 39 ARG C C 39 174.659 174.659 174.827 -0.168 19487 2556 1 10 . 1 1 39 39 ARG CA C 39 59.924 59.924 57.268 2.656 19487 2557 1 10 . 1 1 39 39 ARG CB C 39 28.994 28.994 27.591 1.403 19487 2558 1 10 . 1 1 39 39 ARG H H 39 8.111 8.111 8.079 0.032 19487 2559 1 10 . 1 1 40 40 GLN N N 40 118.822 118.822 117.177 1.645 19487 2560 1 10 . 1 1 40 40 GLN HA H 40 4.335 4.335 4.572 -0.237 19487 2561 1 10 . 1 1 40 40 GLN C C 40 174.969 174.969 174.095 0.874 19487 2562 1 10 . 1 1 40 40 GLN CA C 40 59.216 59.216 54.048 5.168 19487 2563 1 10 . 1 1 40 40 GLN CB C 40 32.661 32.661 33.011 -0.350 19487 2564 1 10 . 1 1 40 40 GLN H H 40 7.740 7.740 7.990 -0.250 19487 2565 1 10 . 1 1 41 41 THR N N 41 110.403 110.403 116.325 -5.922 19487 2566 1 10 . 1 1 41 41 THR HA H 41 5.868 5.868 5.323 0.545 19487 2567 1 10 . 1 1 41 41 THR C C 41 174.918 174.918 173.044 1.874 19487 2568 1 10 . 1 1 41 41 THR CA C 41 62.191 62.191 61.526 0.665 19487 2569 1 10 . 1 1 41 41 THR CB C 41 76.145 76.145 70.014 6.130 19487 2570 1 10 . 1 1 41 41 THR H H 41 8.192 8.192 8.457 -0.265 19487 2571 1 10 . 1 1 42 42 GLN N N 42 113.850 113.850 126.353 -12.503 19487 2572 1 10 . 1 1 42 42 GLN HA H 42 4.785 4.785 4.707 0.078 19487 2573 1 10 . 1 1 42 42 GLN C C 42 174.918 174.918 175.137 -0.219 19487 2574 1 10 . 1 1 42 42 GLN CA C 42 58.285 58.285 55.266 3.019 19487 2575 1 10 . 1 1 42 42 GLN CB C 42 35.073 35.073 32.671 2.402 19487 2576 1 10 . 1 1 42 42 GLN H H 42 9.120 9.120 8.520 0.600 19487 2577 1 10 . 1 1 43 43 TRP N N 43 120.166 120.166 125.997 -5.831 19487 2578 1 10 . 1 1 43 43 TRP HA H 43 5.119 5.119 4.744 0.375 19487 2579 1 10 . 1 1 43 43 TRP C C 43 176.115 176.115 175.393 0.722 19487 2580 1 10 . 1 1 43 43 TRP CA C 43 62.184 62.184 59.455 2.729 19487 2581 1 10 . 1 1 43 43 TRP CB C 43 34.495 34.495 30.278 4.217 19487 2582 1 10 . 1 1 43 43 TRP H H 43 9.019 9.019 8.990 0.029 19487 2583 1 10 . 1 1 44 44 ASP N N 44 115.913 115.913 119.627 -3.714 19487 2584 1 10 . 1 1 44 44 ASP HA H 44 5.113 5.113 4.233 0.880 19487 2585 1 10 . 1 1 44 44 ASP CA C 44 54.787 54.787 54.835 -0.048 19487 2586 1 10 . 1 1 44 44 ASP CB C 44 43.540 43.540 39.699 3.841 19487 2587 1 10 . 1 1 44 44 ASP H H 44 7.976 7.976 8.116 -0.140 19487 2588 1 10 . 1 1 46 46 PRO HA H 46 3.808 3.808 4.387 -0.579 19487 2589 1 10 . 1 1 46 46 PRO C C 46 175.510 175.510 177.009 -1.499 19487 2590 1 10 . 1 1 46 46 PRO CA C 46 64.219 64.219 62.604 1.615 19487 2591 1 10 . 1 1 46 46 PRO CB C 46 33.572 33.572 32.382 1.190 19487 2592 1 10 . 1 1 47 47 THR N N 47 112.072 112.072 114.998 -2.926 19487 2593 1 10 . 1 1 47 47 THR HA H 47 4.234 4.234 3.965 0.269 19487 2594 1 10 . 1 1 47 47 THR C C 47 174.205 174.205 175.522 -1.317 19487 2595 1 10 . 1 1 47 47 THR CA C 47 63.797 63.797 61.179 2.618 19487 2596 1 10 . 1 1 47 47 THR CB C 47 73.250 73.250 69.114 4.136 19487 2597 1 10 . 1 1 47 47 THR H H 47 7.690 7.690 7.982 -0.292 19487 2598 1 10 . 1 1 48 48 TRP N N 48 123.257 123.257 121.946 1.311 19487 2599 1 10 . 1 1 48 48 TRP HA H 48 4.404 4.404 4.362 0.042 19487 2600 1 10 . 1 1 48 48 TRP C C 48 175.934 175.934 175.420 0.514 19487 2601 1 10 . 1 1 48 48 TRP CA C 48 60.797 60.797 58.999 1.798 19487 2602 1 10 . 1 1 48 48 TRP CB C 48 32.345 32.345 29.473 2.872 19487 2603 1 10 . 1 1 48 48 TRP H H 48 8.480 8.480 8.273 0.207 19487 2604 1 10 . 1 1 49 49 GLU N N 49 122.782 122.782 118.620 4.162 19487 2605 1 10 . 1 1 49 49 GLU HA H 49 4.273 4.273 4.357 -0.084 19487 2606 1 10 . 1 1 49 49 GLU C C 49 175.847 175.847 175.270 0.577 19487 2607 1 10 . 1 1 49 49 GLU CA C 49 59.213 59.213 55.704 3.509 19487 2608 1 10 . 1 1 49 49 GLU CB C 49 33.752 33.752 30.937 2.815 19487 2609 1 10 . 1 1 49 49 GLU H H 49 8.296 8.296 7.898 0.398 19487 2610 1 10 . 1 1 50 50 SER N N 50 118.313 118.313 119.735 -1.422 19487 2611 1 10 . 1 1 50 50 SER HA H 50 4.613 4.613 4.794 -0.181 19487 2612 1 10 . 1 1 50 50 SER CA C 50 47.633 47.633 55.987 -8.354 19487 2613 1 10 . 1 1 50 50 SER CB C 50 66.397 66.397 64.289 2.108 19487 2614 1 10 . 1 1 50 50 SER H H 50 8.344 8.344 8.327 0.017 19487 2615 1 10 . 1 1 51 51 PRO HA H 51 4.400 4.400 4.438 -0.038 19487 2616 1 10 . 1 1 51 51 PRO C C 51 177.481 177.481 177.793 -0.312 19487 2617 1 10 . 1 1 51 51 PRO CA C 51 66.571 66.571 62.573 3.998 19487 2618 1 10 . 1 1 51 51 PRO CB C 51 35.162 35.162 32.509 2.653 19487 2619 1 10 . 1 1 52 52 GLY N N 52 109.070 109.070 106.996 2.074 19487 2620 1 10 . 1 1 52 52 GLY C C 52 173.969 173.969 174.966 -0.997 19487 2621 1 10 . 1 1 52 52 GLY CA C 52 48.147 48.147 46.428 1.719 19487 2622 1 10 . 1 1 52 52 GLY H H 52 8.345 8.345 8.523 -0.178 19487 2623 1 10 . 1 1 53 53 ASP N N 53 120.558 120.558 119.170 1.388 19487 2624 1 10 . 1 1 53 53 ASP HA H 53 4.589 4.589 4.453 0.136 19487 2625 1 10 . 1 1 53 53 ASP C C 53 176.133 176.133 177.132 -0.999 19487 2626 1 10 . 1 1 53 53 ASP CA C 53 57.417 57.417 56.002 1.415 19487 2627 1 10 . 1 1 53 53 ASP CB C 53 44.256 44.256 40.702 3.554 19487 2628 1 10 . 1 1 53 53 ASP H H 53 8.216 8.216 8.215 0.001 19487 2629 1 10 . 1 1 54 54 ASP N N 54 120.383 120.383 119.323 1.060 19487 2630 1 10 . 1 1 54 54 ASP HA H 54 4.552 4.552 4.541 0.011 19487 2631 1 10 . 1 1 54 54 ASP C C 54 175.904 175.904 176.242 -0.338 19487 2632 1 10 . 1 1 54 54 ASP CA C 54 57.311 57.311 54.539 2.772 19487 2633 1 10 . 1 1 54 54 ASP CB C 54 44.107 44.107 41.440 2.667 19487 2634 1 10 . 1 1 54 54 ASP H H 54 8.338 8.338 7.644 0.694 19487 2635 1 10 . 1 1 55 55 ALA N N 55 124.730 124.730 122.058 2.672 19487 2636 1 10 . 1 1 55 55 ALA HA H 55 4.383 4.383 4.353 0.030 19487 2637 1 10 . 1 1 55 55 ALA C C 55 176.939 176.939 175.681 1.258 19487 2638 1 10 . 1 1 55 55 ALA CA C 55 55.436 55.436 52.756 2.680 19487 2639 1 10 . 1 1 55 55 ALA CB C 55 22.413 22.413 19.716 2.697 19487 2640 1 10 . 1 1 55 55 ALA H H 55 8.153 8.153 7.753 0.400 19487 2641 1 11 . 1 1 2 2 SER N N 2 117.407 117.407 117.985 -0.578 19487 2642 1 11 . 1 1 2 2 SER HA H 2 4.489 4.489 4.543 -0.054 19487 2643 1 11 . 1 1 2 2 SER C C 2 176.003 176.003 175.775 0.228 19487 2644 1 11 . 1 1 2 2 SER CA C 2 61.265 61.265 59.659 1.606 19487 2645 1 11 . 1 1 2 2 SER CB C 2 66.930 66.930 63.084 3.845 19487 2646 1 11 . 1 1 2 2 SER H H 2 8.038 8.038 8.570 -0.532 19487 2647 1 11 . 1 1 3 3 ASP N N 3 122.561 122.561 120.190 2.371 19487 2648 1 11 . 1 1 3 3 ASP HA H 3 4.589 4.589 4.527 0.062 19487 2649 1 11 . 1 1 3 3 ASP C C 3 175.831 175.831 176.130 -0.299 19487 2650 1 11 . 1 1 3 3 ASP CA C 3 57.207 57.207 55.718 1.490 19487 2651 1 11 . 1 1 3 3 ASP CB C 3 44.183 44.183 40.767 3.416 19487 2652 1 11 . 1 1 3 3 ASP H H 3 8.506 8.506 8.539 -0.033 19487 2653 1 11 . 1 1 4 4 LEU N N 4 123.656 123.656 120.796 2.860 19487 2654 1 11 . 1 1 4 4 LEU HA H 4 4.548 4.548 4.708 -0.160 19487 2655 1 11 . 1 1 4 4 LEU CA C 4 56.089 56.089 52.353 3.736 19487 2656 1 11 . 1 1 4 4 LEU H H 4 8.187 8.187 7.467 0.720 19487 2657 1 11 . 1 1 7 7 PRO HA H 7 4.361 4.361 4.669 -0.308 19487 2658 1 11 . 1 1 7 7 PRO C C 7 175.043 175.043 176.343 -1.300 19487 2659 1 11 . 1 1 7 7 PRO CA C 7 64.870 64.870 62.401 2.469 19487 2660 1 11 . 1 1 7 7 PRO CB C 7 35.143 35.143 32.707 2.436 19487 2661 1 11 . 1 1 8 8 SER N N 8 116.762 116.762 115.563 1.199 19487 2662 1 11 . 1 1 8 8 SER HA H 8 3.925 3.925 4.907 -0.982 19487 2663 1 11 . 1 1 8 8 SER CA C 8 60.475 60.475 54.938 5.537 19487 2664 1 11 . 1 1 8 8 SER CB C 8 65.096 65.096 64.304 0.792 19487 2665 1 11 . 1 1 8 8 SER H H 8 8.302 8.302 8.400 -0.098 19487 2666 1 11 . 1 1 11 11 ALA HA H 11 4.218 4.218 4.180 0.038 19487 2667 1 11 . 1 1 11 11 ALA C C 11 178.565 178.565 179.239 -0.674 19487 2668 1 11 . 1 1 11 11 ALA CA C 11 55.637 55.637 54.189 1.448 19487 2669 1 11 . 1 1 11 11 ALA CB C 11 21.863 21.863 18.511 3.352 19487 2670 1 11 . 1 1 12 12 ALA N N 12 125.155 125.155 120.918 4.237 19487 2671 1 11 . 1 1 12 12 ALA HA H 12 4.247 4.247 4.193 0.054 19487 2672 1 11 . 1 1 12 12 ALA C C 12 177.718 177.718 179.093 -1.375 19487 2673 1 11 . 1 1 12 12 ALA CA C 12 56.529 56.529 53.877 2.652 19487 2674 1 11 . 1 1 12 12 ALA CB C 12 22.033 22.033 18.142 3.890 19487 2675 1 11 . 1 1 12 12 ALA H H 12 8.596 8.596 8.488 0.108 19487 2676 1 11 . 1 1 13 13 ALA N N 13 122.474 122.474 120.457 2.017 19487 2677 1 11 . 1 1 13 13 ALA HA H 13 4.387 4.387 4.012 0.375 19487 2678 1 11 . 1 1 13 13 ALA C C 13 177.521 177.521 178.513 -0.992 19487 2679 1 11 . 1 1 13 13 ALA CA C 13 55.079 55.079 54.676 0.403 19487 2680 1 11 . 1 1 13 13 ALA CB C 13 22.732 22.732 18.200 4.532 19487 2681 1 11 . 1 1 13 13 ALA H H 13 8.117 8.117 7.544 0.573 19487 2682 1 11 . 1 1 14 14 THR N N 14 114.271 114.271 112.175 2.096 19487 2683 1 11 . 1 1 14 14 THR HA H 14 4.196 4.196 4.136 0.060 19487 2684 1 11 . 1 1 14 14 THR C C 14 174.319 174.319 176.100 -1.781 19487 2685 1 11 . 1 1 14 14 THR CA C 14 65.631 65.631 64.517 1.114 19487 2686 1 11 . 1 1 14 14 THR CB C 14 72.638 72.638 68.851 3.787 19487 2687 1 11 . 1 1 14 14 THR H H 14 8.202 8.202 7.532 0.670 19487 2688 1 11 . 1 1 15 15 ILE N N 15 125.881 125.881 121.892 3.989 19487 2689 1 11 . 1 1 15 15 ILE HA H 15 4.139 4.139 3.791 0.348 19487 2690 1 11 . 1 1 15 15 ILE C C 15 175.396 175.396 175.497 -0.101 19487 2691 1 11 . 1 1 15 15 ILE CA C 15 64.025 64.025 63.676 0.349 19487 2692 1 11 . 1 1 15 15 ILE CB C 15 41.834 41.834 38.555 3.279 19487 2693 1 11 . 1 1 15 15 ILE H H 15 8.149 8.149 7.791 0.358 19487 2694 1 11 . 1 1 16 16 VAL N N 16 128.849 128.849 118.006 10.843 19487 2695 1 11 . 1 1 16 16 VAL HA H 16 4.104 4.104 4.207 -0.103 19487 2696 1 11 . 1 1 16 16 VAL C C 16 175.476 175.476 174.201 1.275 19487 2697 1 11 . 1 1 16 16 VAL CA C 16 65.134 65.134 61.375 3.759 19487 2698 1 11 . 1 1 16 16 VAL CB C 16 35.473 35.473 33.476 1.997 19487 2699 1 11 . 1 1 16 16 VAL H H 16 8.453 8.453 7.973 0.480 19487 2700 1 11 . 1 1 17 17 LEU N N 17 128.264 128.264 125.757 2.507 19487 2701 1 11 . 1 1 17 17 LEU HA H 17 4.587 4.587 4.993 -0.406 19487 2702 1 11 . 1 1 17 17 LEU CA C 17 55.193 55.193 51.610 3.583 19487 2703 1 11 . 1 1 17 17 LEU CB C 17 45.309 45.309 43.676 1.633 19487 2704 1 11 . 1 1 17 17 LEU H H 17 8.538 8.538 8.395 0.143 19487 2705 1 11 . 1 1 19 19 PRO HA H 19 4.200 4.200 4.416 -0.216 19487 2706 1 11 . 1 1 19 19 PRO C C 19 176.905 176.905 177.322 -0.417 19487 2707 1 11 . 1 1 19 19 PRO CA C 19 66.913 66.913 64.463 2.450 19487 2708 1 11 . 1 1 19 19 PRO CB C 19 35.066 35.066 31.836 3.230 19487 2709 1 11 . 1 1 20 20 ASN N N 20 111.422 111.422 114.068 -2.646 19487 2710 1 11 . 1 1 20 20 ASN HA H 20 3.984 3.984 4.685 -0.701 19487 2711 1 11 . 1 1 20 20 ASN C C 20 172.258 172.258 175.417 -3.159 19487 2712 1 11 . 1 1 20 20 ASN CA C 20 58.148 58.148 53.626 4.522 19487 2713 1 11 . 1 1 20 20 ASN CB C 20 39.841 39.841 37.927 1.914 19487 2714 1 11 . 1 1 20 20 ASN H H 20 8.543 8.543 8.349 0.194 19487 2715 1 11 . 1 1 21 21 TRP N N 21 117.593 117.593 119.583 -1.990 19487 2716 1 11 . 1 1 21 21 TRP HA H 21 5.082 5.082 4.632 0.450 19487 2717 1 11 . 1 1 21 21 TRP C C 21 175.610 175.610 175.314 0.296 19487 2718 1 11 . 1 1 21 21 TRP CA C 21 60.096 60.096 55.901 4.195 19487 2719 1 11 . 1 1 21 21 TRP CB C 21 34.695 34.695 29.252 5.443 19487 2720 1 11 . 1 1 21 21 TRP H H 21 7.400 7.400 7.761 -0.360 19487 2721 1 11 . 1 1 22 22 LYS N N 22 121.362 121.362 119.087 2.275 19487 2722 1 11 . 1 1 22 22 LYS HA H 22 4.532 4.532 4.436 0.096 19487 2723 1 11 . 1 1 22 22 LYS C C 22 174.616 174.616 174.941 -0.325 19487 2724 1 11 . 1 1 22 22 LYS CA C 22 57.332 57.332 53.236 4.096 19487 2725 1 11 . 1 1 22 22 LYS CB C 22 40.444 40.444 36.202 4.242 19487 2726 1 11 . 1 1 22 22 LYS H H 22 9.007 9.007 8.004 1.003 19487 2727 1 11 . 1 1 23 23 THR N N 23 108.761 108.761 110.356 -1.595 19487 2728 1 11 . 1 1 23 23 THR HA H 23 4.986 4.986 4.689 0.297 19487 2729 1 11 . 1 1 23 23 THR C C 23 173.623 173.623 173.336 0.287 19487 2730 1 11 . 1 1 23 23 THR CA C 23 62.791 62.791 59.138 3.653 19487 2731 1 11 . 1 1 23 23 THR CB C 23 74.679 74.679 70.376 4.303 19487 2732 1 11 . 1 1 23 23 THR H H 23 7.757 7.757 7.904 -0.147 19487 2733 1 11 . 1 1 24 24 ALA N N 24 124.455 124.455 125.263 -0.808 19487 2734 1 11 . 1 1 24 24 ALA HA H 24 4.332 4.332 4.576 -0.244 19487 2735 1 11 . 1 1 24 24 ALA C C 24 173.702 173.702 174.467 -0.765 19487 2736 1 11 . 1 1 24 24 ALA CA C 24 53.620 53.620 51.566 2.054 19487 2737 1 11 . 1 1 24 24 ALA CB C 24 24.927 24.927 21.621 3.306 19487 2738 1 11 . 1 1 24 24 ALA H H 24 8.352 8.352 8.042 0.310 19487 2739 1 11 . 1 1 25 25 ARG N N 25 115.144 115.144 119.332 -4.188 19487 2740 1 11 . 1 1 25 25 ARG HA H 25 5.339 5.339 5.401 -0.062 19487 2741 1 11 . 1 1 25 25 ARG C C 25 176.810 176.810 175.127 1.683 19487 2742 1 11 . 1 1 25 25 ARG CA C 25 56.600 56.600 54.860 1.740 19487 2743 1 11 . 1 1 25 25 ARG CB C 25 36.731 36.731 33.897 2.834 19487 2744 1 11 . 1 1 25 25 ARG H H 25 7.882 7.882 8.377 -0.495 19487 2745 1 11 . 1 1 26 26 ASP N N 26 126.595 126.595 122.139 4.456 19487 2746 1 11 . 1 1 26 26 ASP HA H 26 4.951 4.951 5.092 -0.141 19487 2747 1 11 . 1 1 26 26 ASP CA C 26 55.811 55.811 53.171 2.640 19487 2748 1 11 . 1 1 26 26 ASP CB C 26 43.672 43.672 41.219 2.453 19487 2749 1 11 . 1 1 26 26 ASP H H 26 9.402 9.402 8.985 0.417 19487 2750 1 11 . 1 1 27 27 PRO HA H 27 4.398 4.398 4.240 0.158 19487 2751 1 11 . 1 1 27 27 PRO C C 27 177.645 177.645 177.403 0.242 19487 2752 1 11 . 1 1 27 27 PRO CA C 27 68.772 68.772 65.046 3.726 19487 2753 1 11 . 1 1 27 27 PRO CB C 27 35.111 35.111 31.811 3.300 19487 2754 1 11 . 1 1 28 28 GLU N N 28 115.064 115.064 118.868 -3.804 19487 2755 1 11 . 1 1 28 28 GLU HA H 28 4.434 4.434 4.469 -0.035 19487 2756 1 11 . 1 1 28 28 GLU C C 28 176.259 176.259 176.784 -0.525 19487 2757 1 11 . 1 1 28 28 GLU CA C 28 58.837 58.837 55.765 3.072 19487 2758 1 11 . 1 1 28 28 GLU CB C 28 33.536 33.536 28.364 5.172 19487 2759 1 11 . 1 1 28 28 GLU H H 28 7.970 7.970 8.301 -0.331 19487 2760 1 11 . 1 1 29 29 GLY N N 29 107.797 107.797 108.991 -1.194 19487 2761 1 11 . 1 1 29 29 GLY C C 29 175.283 175.283 174.563 0.720 19487 2762 1 11 . 1 1 29 29 GLY CA C 29 48.501 48.501 45.972 2.529 19487 2763 1 11 . 1 1 29 29 GLY H H 29 8.445 8.445 7.759 0.686 19487 2764 1 11 . 1 1 30 30 LYS N N 30 124.471 124.471 119.877 4.594 19487 2765 1 11 . 1 1 30 30 LYS C C 30 176.712 176.712 174.923 1.789 19487 2766 1 11 . 1 1 30 30 LYS CA C 30 60.736 60.736 55.066 5.670 19487 2767 1 11 . 1 1 30 30 LYS CB C 30 35.661 35.661 34.079 1.582 19487 2768 1 11 . 1 1 30 30 LYS H H 30 9.011 9.011 7.716 1.295 19487 2769 1 11 . 1 1 31 31 ILE N N 31 125.370 125.370 126.247 -0.877 19487 2770 1 11 . 1 1 31 31 ILE HA H 31 4.790 4.790 4.626 0.164 19487 2771 1 11 . 1 1 31 31 ILE C C 31 174.765 174.765 174.285 0.480 19487 2772 1 11 . 1 1 31 31 ILE CA C 31 64.312 64.312 60.400 3.912 19487 2773 1 11 . 1 1 31 31 ILE CB C 31 42.514 42.514 40.355 2.159 19487 2774 1 11 . 1 1 31 31 ILE H H 31 8.425 8.425 8.430 -0.005 19487 2775 1 11 . 1 1 32 32 TYR N N 32 121.507 121.507 122.340 -0.833 19487 2776 1 11 . 1 1 32 32 TYR HA H 32 4.910 4.910 4.668 0.242 19487 2777 1 11 . 1 1 32 32 TYR C C 32 170.944 170.944 172.100 -1.156 19487 2778 1 11 . 1 1 32 32 TYR CA C 32 58.548 58.548 54.390 4.158 19487 2779 1 11 . 1 1 32 32 TYR CB C 32 42.647 42.647 39.143 3.504 19487 2780 1 11 . 1 1 32 32 TYR H H 32 8.673 8.673 8.633 0.040 19487 2781 1 11 . 1 1 33 33 TYR N N 33 116.433 116.433 117.088 -0.655 19487 2782 1 11 . 1 1 33 33 TYR HA H 33 5.415 5.415 4.688 0.727 19487 2783 1 11 . 1 1 33 33 TYR C C 33 175.515 175.515 174.864 0.651 19487 2784 1 11 . 1 1 33 33 TYR CA C 33 59.550 59.550 55.694 3.856 19487 2785 1 11 . 1 1 33 33 TYR CB C 33 45.035 45.035 40.901 4.134 19487 2786 1 11 . 1 1 33 33 TYR H H 33 8.700 8.700 8.749 -0.049 19487 2787 1 11 . 1 1 34 34 TYR N N 34 117.980 117.980 116.832 1.148 19487 2788 1 11 . 1 1 34 34 TYR HA H 34 6.018 6.018 5.658 0.360 19487 2789 1 11 . 1 1 34 34 TYR C C 34 171.057 171.057 174.391 -3.334 19487 2790 1 11 . 1 1 34 34 TYR CA C 34 58.465 58.465 55.274 3.191 19487 2791 1 11 . 1 1 34 34 TYR CB C 34 46.750 46.750 40.493 6.257 19487 2792 1 11 . 1 1 34 34 TYR H H 34 9.324 9.324 8.417 0.907 19487 2793 1 11 . 1 1 35 35 HIS N N 35 124.333 124.333 122.075 2.258 19487 2794 1 11 . 1 1 35 35 HIS HA H 35 3.878 3.878 5.158 -1.280 19487 2795 1 11 . 1 1 35 35 HIS C C 35 178.739 178.739 175.882 2.857 19487 2796 1 11 . 1 1 35 35 HIS CA C 35 57.747 57.747 56.100 1.647 19487 2797 1 11 . 1 1 35 35 HIS CB C 35 35.302 35.302 31.024 4.277 19487 2798 1 11 . 1 1 35 35 HIS H H 35 7.704 7.704 9.694 -1.990 19487 2799 1 11 . 1 1 36 36 VAL N N 36 123.002 123.002 123.327 -0.325 19487 2800 1 11 . 1 1 36 36 VAL HA H 36 3.753 3.753 4.058 -0.305 19487 2801 1 11 . 1 1 36 36 VAL C C 36 176.638 176.638 176.635 0.003 19487 2802 1 11 . 1 1 36 36 VAL CA C 36 67.697 67.697 65.308 2.389 19487 2803 1 11 . 1 1 36 36 VAL CB C 36 35.060 35.060 31.552 3.508 19487 2804 1 11 . 1 1 36 36 VAL H H 36 8.559 8.559 8.670 -0.111 19487 2805 1 11 . 1 1 37 37 ILE N N 37 120.608 120.608 120.530 0.078 19487 2806 1 11 . 1 1 37 37 ILE HA H 37 4.194 4.194 4.008 0.185 19487 2807 1 11 . 1 1 37 37 ILE C C 37 178.269 178.269 177.549 0.720 19487 2808 1 11 . 1 1 37 37 ILE CA C 37 65.546 65.546 64.642 0.904 19487 2809 1 11 . 1 1 37 37 ILE CB C 37 41.259 41.259 37.564 3.695 19487 2810 1 11 . 1 1 37 37 ILE H H 37 8.904 8.904 8.195 0.709 19487 2811 1 11 . 1 1 38 38 THR N N 38 112.000 112.000 110.425 1.575 19487 2812 1 11 . 1 1 38 38 THR HA H 38 4.014 4.014 4.215 -0.201 19487 2813 1 11 . 1 1 38 38 THR C C 38 176.608 176.608 174.731 1.877 19487 2814 1 11 . 1 1 38 38 THR CA C 38 66.181 66.181 62.854 3.327 19487 2815 1 11 . 1 1 38 38 THR CB C 38 72.340 72.340 69.076 3.264 19487 2816 1 11 . 1 1 38 38 THR H H 38 8.942 8.942 8.085 0.857 19487 2817 1 11 . 1 1 39 39 ARG N N 39 113.683 113.683 118.269 -4.586 19487 2818 1 11 . 1 1 39 39 ARG HA H 39 4.019 4.019 4.198 -0.179 19487 2819 1 11 . 1 1 39 39 ARG C C 39 174.659 174.659 174.503 0.156 19487 2820 1 11 . 1 1 39 39 ARG CA C 39 59.924 59.924 57.464 2.460 19487 2821 1 11 . 1 1 39 39 ARG CB C 39 28.994 28.994 27.214 1.780 19487 2822 1 11 . 1 1 39 39 ARG H H 39 8.111 8.111 7.979 0.132 19487 2823 1 11 . 1 1 40 40 GLN N N 40 118.822 118.822 114.792 4.030 19487 2824 1 11 . 1 1 40 40 GLN HA H 40 4.335 4.335 4.608 -0.273 19487 2825 1 11 . 1 1 40 40 GLN C C 40 174.969 174.969 174.335 0.634 19487 2826 1 11 . 1 1 40 40 GLN CA C 40 59.216 59.216 54.306 4.910 19487 2827 1 11 . 1 1 40 40 GLN CB C 40 32.661 32.661 32.655 0.006 19487 2828 1 11 . 1 1 40 40 GLN H H 40 7.740 7.740 7.924 -0.184 19487 2829 1 11 . 1 1 41 41 THR N N 41 110.403 110.403 113.896 -3.493 19487 2830 1 11 . 1 1 41 41 THR HA H 41 5.868 5.868 5.181 0.687 19487 2831 1 11 . 1 1 41 41 THR C C 41 174.918 174.918 173.276 1.642 19487 2832 1 11 . 1 1 41 41 THR CA C 41 62.191 62.191 60.957 1.234 19487 2833 1 11 . 1 1 41 41 THR CB C 41 76.145 76.145 70.276 5.869 19487 2834 1 11 . 1 1 41 41 THR H H 41 8.192 8.192 8.498 -0.306 19487 2835 1 11 . 1 1 42 42 GLN N N 42 113.850 113.850 125.620 -11.770 19487 2836 1 11 . 1 1 42 42 GLN HA H 42 4.785 4.785 4.989 -0.204 19487 2837 1 11 . 1 1 42 42 GLN C C 42 174.918 174.918 175.245 -0.327 19487 2838 1 11 . 1 1 42 42 GLN CA C 42 58.285 58.285 54.812 3.473 19487 2839 1 11 . 1 1 42 42 GLN CB C 42 35.073 35.073 31.751 3.322 19487 2840 1 11 . 1 1 42 42 GLN H H 42 9.120 9.120 8.490 0.630 19487 2841 1 11 . 1 1 43 43 TRP N N 43 120.166 120.166 125.550 -5.384 19487 2842 1 11 . 1 1 43 43 TRP HA H 43 5.119 5.119 4.702 0.417 19487 2843 1 11 . 1 1 43 43 TRP C C 43 176.115 176.115 177.479 -1.364 19487 2844 1 11 . 1 1 43 43 TRP CA C 43 62.184 62.184 61.082 1.102 19487 2845 1 11 . 1 1 43 43 TRP CB C 43 34.495 34.495 31.111 3.384 19487 2846 1 11 . 1 1 43 43 TRP H H 43 9.019 9.019 9.214 -0.195 19487 2847 1 11 . 1 1 44 44 ASP N N 44 115.913 115.913 116.723 -0.810 19487 2848 1 11 . 1 1 44 44 ASP HA H 44 5.113 5.113 4.911 0.202 19487 2849 1 11 . 1 1 44 44 ASP CA C 44 54.787 54.787 53.885 0.902 19487 2850 1 11 . 1 1 44 44 ASP CB C 44 43.540 43.540 40.077 3.463 19487 2851 1 11 . 1 1 44 44 ASP H H 44 7.976 7.976 8.341 -0.365 19487 2852 1 11 . 1 1 46 46 PRO HA H 46 3.808 3.808 4.447 -0.639 19487 2853 1 11 . 1 1 46 46 PRO C C 46 175.510 175.510 176.648 -1.138 19487 2854 1 11 . 1 1 46 46 PRO CA C 46 64.219 64.219 62.587 1.631 19487 2855 1 11 . 1 1 46 46 PRO CB C 46 33.572 33.572 32.465 1.107 19487 2856 1 11 . 1 1 47 47 THR N N 47 112.072 112.072 114.094 -2.022 19487 2857 1 11 . 1 1 47 47 THR HA H 47 4.234 4.234 4.001 0.233 19487 2858 1 11 . 1 1 47 47 THR C C 47 174.205 174.205 175.091 -0.886 19487 2859 1 11 . 1 1 47 47 THR CA C 47 63.797 63.797 61.885 1.912 19487 2860 1 11 . 1 1 47 47 THR CB C 47 73.250 73.250 68.970 4.280 19487 2861 1 11 . 1 1 47 47 THR H H 47 7.690 7.690 8.088 -0.398 19487 2862 1 11 . 1 1 48 48 TRP N N 48 123.257 123.257 119.490 3.767 19487 2863 1 11 . 1 1 48 48 TRP HA H 48 4.404 4.404 4.124 0.280 19487 2864 1 11 . 1 1 48 48 TRP C C 48 175.934 175.934 176.418 -0.484 19487 2865 1 11 . 1 1 48 48 TRP CA C 48 60.797 60.797 58.742 2.055 19487 2866 1 11 . 1 1 48 48 TRP CB C 48 32.345 32.345 28.767 3.578 19487 2867 1 11 . 1 1 48 48 TRP H H 48 8.480 8.480 7.743 0.737 19487 2868 1 11 . 1 1 49 49 GLU N N 49 122.782 122.782 118.980 3.802 19487 2869 1 11 . 1 1 49 49 GLU HA H 49 4.273 4.273 4.548 -0.275 19487 2870 1 11 . 1 1 49 49 GLU C C 49 175.847 175.847 175.197 0.650 19487 2871 1 11 . 1 1 49 49 GLU CA C 49 59.213 59.213 55.771 3.442 19487 2872 1 11 . 1 1 49 49 GLU CB C 49 33.752 33.752 31.046 2.706 19487 2873 1 11 . 1 1 49 49 GLU H H 49 8.296 8.296 7.945 0.351 19487 2874 1 11 . 1 1 50 50 SER N N 50 118.313 118.313 118.517 -0.204 19487 2875 1 11 . 1 1 50 50 SER HA H 50 4.613 4.613 4.803 -0.190 19487 2876 1 11 . 1 1 50 50 SER CA C 50 47.633 47.633 54.981 -7.348 19487 2877 1 11 . 1 1 50 50 SER CB C 50 66.397 66.397 64.075 2.322 19487 2878 1 11 . 1 1 50 50 SER H H 50 8.344 8.344 8.447 -0.103 19487 2879 1 11 . 1 1 51 51 PRO HA H 51 4.400 4.400 4.480 -0.080 19487 2880 1 11 . 1 1 51 51 PRO C C 51 177.481 177.481 177.800 -0.319 19487 2881 1 11 . 1 1 51 51 PRO CA C 51 66.571 66.571 62.639 3.932 19487 2882 1 11 . 1 1 51 51 PRO CB C 51 35.162 35.162 32.733 2.429 19487 2883 1 11 . 1 1 52 52 GLY N N 52 109.070 109.070 107.589 1.481 19487 2884 1 11 . 1 1 52 52 GLY C C 52 173.969 173.969 174.998 -1.029 19487 2885 1 11 . 1 1 52 52 GLY CA C 52 48.147 48.147 46.148 2.000 19487 2886 1 11 . 1 1 52 52 GLY H H 52 8.345 8.345 8.682 -0.337 19487 2887 1 11 . 1 1 53 53 ASP N N 53 120.558 120.558 119.234 1.324 19487 2888 1 11 . 1 1 53 53 ASP HA H 53 4.589 4.589 4.473 0.116 19487 2889 1 11 . 1 1 53 53 ASP C C 53 176.133 176.133 177.089 -0.956 19487 2890 1 11 . 1 1 53 53 ASP CA C 53 57.417 57.417 55.500 1.917 19487 2891 1 11 . 1 1 53 53 ASP CB C 53 44.256 44.256 40.514 3.742 19487 2892 1 11 . 1 1 53 53 ASP H H 53 8.216 8.216 8.340 -0.124 19487 2893 1 11 . 1 1 54 54 ASP N N 54 120.383 120.383 121.084 -0.701 19487 2894 1 11 . 1 1 54 54 ASP HA H 54 4.552 4.552 4.635 -0.083 19487 2895 1 11 . 1 1 54 54 ASP C C 54 175.904 175.904 175.704 0.200 19487 2896 1 11 . 1 1 54 54 ASP CA C 54 57.311 57.311 55.090 2.221 19487 2897 1 11 . 1 1 54 54 ASP CB C 54 44.107 44.107 42.460 1.647 19487 2898 1 11 . 1 1 54 54 ASP H H 54 8.338 8.338 7.591 0.747 19487 2899 1 11 . 1 1 55 55 ALA N N 55 124.730 124.730 122.149 2.581 19487 2900 1 11 . 1 1 55 55 ALA HA H 55 4.383 4.383 4.790 -0.407 19487 2901 1 11 . 1 1 55 55 ALA C C 55 176.939 176.939 175.755 1.184 19487 2902 1 11 . 1 1 55 55 ALA CA C 55 55.436 55.436 51.266 4.170 19487 2903 1 11 . 1 1 55 55 ALA CB C 55 22.413 22.413 19.660 2.753 19487 2904 1 11 . 1 1 55 55 ALA H H 55 8.153 8.153 8.164 -0.011 19487 2905 1 12 . 1 1 2 2 SER N N 2 117.407 117.407 116.986 0.421 19487 2906 1 12 . 1 1 2 2 SER HA H 2 4.489 4.489 4.568 -0.079 19487 2907 1 12 . 1 1 2 2 SER C C 2 176.003 176.003 175.331 0.672 19487 2908 1 12 . 1 1 2 2 SER CA C 2 61.265 61.265 60.458 0.807 19487 2909 1 12 . 1 1 2 2 SER CB C 2 66.930 66.930 63.470 3.460 19487 2910 1 12 . 1 1 2 2 SER H H 2 8.038 8.038 8.281 -0.243 19487 2911 1 12 . 1 1 3 3 ASP N N 3 122.561 122.561 119.404 3.157 19487 2912 1 12 . 1 1 3 3 ASP HA H 3 4.589 4.589 4.566 0.023 19487 2913 1 12 . 1 1 3 3 ASP C C 3 175.831 175.831 176.076 -0.245 19487 2914 1 12 . 1 1 3 3 ASP CA C 3 57.207 57.207 55.817 1.390 19487 2915 1 12 . 1 1 3 3 ASP CB C 3 44.183 44.183 40.959 3.224 19487 2916 1 12 . 1 1 3 3 ASP H H 3 8.506 8.506 8.220 0.286 19487 2917 1 12 . 1 1 4 4 LEU N N 4 123.656 123.656 121.002 2.654 19487 2918 1 12 . 1 1 4 4 LEU HA H 4 4.548 4.548 4.745 -0.197 19487 2919 1 12 . 1 1 4 4 LEU CA C 4 56.089 56.089 52.262 3.827 19487 2920 1 12 . 1 1 4 4 LEU H H 4 8.187 8.187 7.573 0.614 19487 2921 1 12 . 1 1 7 7 PRO HA H 7 4.361 4.361 4.603 -0.242 19487 2922 1 12 . 1 1 7 7 PRO C C 7 175.043 175.043 176.222 -1.179 19487 2923 1 12 . 1 1 7 7 PRO CA C 7 64.870 64.870 62.191 2.679 19487 2924 1 12 . 1 1 7 7 PRO CB C 7 35.143 35.143 32.596 2.547 19487 2925 1 12 . 1 1 8 8 SER N N 8 116.762 116.762 116.446 0.316 19487 2926 1 12 . 1 1 8 8 SER HA H 8 3.925 3.925 4.657 -0.732 19487 2927 1 12 . 1 1 8 8 SER CA C 8 60.475 60.475 55.979 4.496 19487 2928 1 12 . 1 1 8 8 SER CB C 8 65.096 65.096 62.971 2.125 19487 2929 1 12 . 1 1 8 8 SER H H 8 8.302 8.302 8.329 -0.027 19487 2930 1 12 . 1 1 11 11 ALA HA H 11 4.218 4.218 4.197 0.021 19487 2931 1 12 . 1 1 11 11 ALA C C 11 178.565 178.565 179.196 -0.631 19487 2932 1 12 . 1 1 11 11 ALA CA C 11 55.637 55.637 54.073 1.564 19487 2933 1 12 . 1 1 11 11 ALA CB C 11 21.863 21.863 18.522 3.341 19487 2934 1 12 . 1 1 12 12 ALA N N 12 125.155 125.155 121.077 4.078 19487 2935 1 12 . 1 1 12 12 ALA HA H 12 4.247 4.247 4.176 0.071 19487 2936 1 12 . 1 1 12 12 ALA C C 12 177.718 177.718 179.064 -1.346 19487 2937 1 12 . 1 1 12 12 ALA CA C 12 56.529 56.529 53.892 2.637 19487 2938 1 12 . 1 1 12 12 ALA CB C 12 22.033 22.033 18.144 3.889 19487 2939 1 12 . 1 1 12 12 ALA H H 12 8.596 8.596 8.433 0.163 19487 2940 1 12 . 1 1 13 13 ALA N N 13 122.474 122.474 119.909 2.565 19487 2941 1 12 . 1 1 13 13 ALA HA H 13 4.387 4.387 3.978 0.409 19487 2942 1 12 . 1 1 13 13 ALA C C 13 177.521 177.521 178.426 -0.905 19487 2943 1 12 . 1 1 13 13 ALA CA C 13 55.079 55.079 54.738 0.341 19487 2944 1 12 . 1 1 13 13 ALA CB C 13 22.732 22.732 18.164 4.568 19487 2945 1 12 . 1 1 13 13 ALA H H 13 8.117 8.117 7.629 0.488 19487 2946 1 12 . 1 1 14 14 THR N N 14 114.271 114.271 112.282 1.989 19487 2947 1 12 . 1 1 14 14 THR HA H 14 4.196 4.196 4.236 -0.040 19487 2948 1 12 . 1 1 14 14 THR C C 14 174.319 174.319 176.166 -1.847 19487 2949 1 12 . 1 1 14 14 THR CA C 14 65.631 65.631 64.450 1.181 19487 2950 1 12 . 1 1 14 14 THR CB C 14 72.638 72.638 68.900 3.739 19487 2951 1 12 . 1 1 14 14 THR H H 14 8.202 8.202 7.528 0.674 19487 2952 1 12 . 1 1 15 15 ILE N N 15 125.881 125.881 121.823 4.058 19487 2953 1 12 . 1 1 15 15 ILE HA H 15 4.139 4.139 3.747 0.392 19487 2954 1 12 . 1 1 15 15 ILE C C 15 175.396 175.396 175.422 -0.026 19487 2955 1 12 . 1 1 15 15 ILE CA C 15 64.025 64.025 63.861 0.164 19487 2956 1 12 . 1 1 15 15 ILE CB C 15 41.834 41.834 38.501 3.333 19487 2957 1 12 . 1 1 15 15 ILE H H 15 8.149 8.149 7.791 0.358 19487 2958 1 12 . 1 1 16 16 VAL N N 16 128.849 128.849 117.431 11.418 19487 2959 1 12 . 1 1 16 16 VAL HA H 16 4.104 4.104 4.300 -0.196 19487 2960 1 12 . 1 1 16 16 VAL C C 16 175.476 175.476 174.105 1.371 19487 2961 1 12 . 1 1 16 16 VAL CA C 16 65.134 65.134 61.653 3.481 19487 2962 1 12 . 1 1 16 16 VAL CB C 16 35.473 35.473 33.983 1.490 19487 2963 1 12 . 1 1 16 16 VAL H H 16 8.453 8.453 7.855 0.598 19487 2964 1 12 . 1 1 17 17 LEU N N 17 128.264 128.264 126.008 2.256 19487 2965 1 12 . 1 1 17 17 LEU HA H 17 4.587 4.587 5.041 -0.454 19487 2966 1 12 . 1 1 17 17 LEU CA C 17 55.193 55.193 51.276 3.917 19487 2967 1 12 . 1 1 17 17 LEU CB C 17 45.309 45.309 44.971 0.338 19487 2968 1 12 . 1 1 17 17 LEU H H 17 8.538 8.538 8.555 -0.017 19487 2969 1 12 . 1 1 19 19 PRO HA H 19 4.200 4.200 4.255 -0.055 19487 2970 1 12 . 1 1 19 19 PRO C C 19 176.905 176.905 177.390 -0.485 19487 2971 1 12 . 1 1 19 19 PRO CA C 19 66.913 66.913 64.391 2.522 19487 2972 1 12 . 1 1 19 19 PRO CB C 19 35.066 35.066 31.937 3.129 19487 2973 1 12 . 1 1 20 20 ASN N N 20 111.422 111.422 114.161 -2.739 19487 2974 1 12 . 1 1 20 20 ASN HA H 20 3.984 3.984 4.596 -0.612 19487 2975 1 12 . 1 1 20 20 ASN C C 20 172.258 172.258 175.152 -2.894 19487 2976 1 12 . 1 1 20 20 ASN CA C 20 58.148 58.148 53.465 4.683 19487 2977 1 12 . 1 1 20 20 ASN CB C 20 39.841 39.841 37.782 2.058 19487 2978 1 12 . 1 1 20 20 ASN H H 20 8.543 8.543 8.333 0.210 19487 2979 1 12 . 1 1 21 21 TRP N N 21 117.593 117.593 119.576 -1.983 19487 2980 1 12 . 1 1 21 21 TRP HA H 21 5.082 5.082 4.473 0.609 19487 2981 1 12 . 1 1 21 21 TRP C C 21 175.610 175.610 175.375 0.235 19487 2982 1 12 . 1 1 21 21 TRP CA C 21 60.096 60.096 56.356 3.740 19487 2983 1 12 . 1 1 21 21 TRP CB C 21 34.695 34.695 29.232 5.463 19487 2984 1 12 . 1 1 21 21 TRP H H 21 7.400 7.400 7.836 -0.436 19487 2985 1 12 . 1 1 22 22 LYS N N 22 121.362 121.362 118.781 2.581 19487 2986 1 12 . 1 1 22 22 LYS HA H 22 4.532 4.532 4.258 0.274 19487 2987 1 12 . 1 1 22 22 LYS C C 22 174.616 174.616 174.727 -0.111 19487 2988 1 12 . 1 1 22 22 LYS CA C 22 57.332 57.332 53.390 3.942 19487 2989 1 12 . 1 1 22 22 LYS CB C 22 40.444 40.444 36.687 3.757 19487 2990 1 12 . 1 1 22 22 LYS H H 22 9.007 9.007 7.742 1.265 19487 2991 1 12 . 1 1 23 23 THR N N 23 108.761 108.761 111.389 -2.628 19487 2992 1 12 . 1 1 23 23 THR HA H 23 4.986 4.986 4.450 0.536 19487 2993 1 12 . 1 1 23 23 THR C C 23 173.623 173.623 173.469 0.154 19487 2994 1 12 . 1 1 23 23 THR CA C 23 62.791 62.791 59.771 3.020 19487 2995 1 12 . 1 1 23 23 THR CB C 23 74.679 74.679 69.604 5.075 19487 2996 1 12 . 1 1 23 23 THR H H 23 7.757 7.757 7.995 -0.238 19487 2997 1 12 . 1 1 24 24 ALA N N 24 124.455 124.455 127.682 -3.227 19487 2998 1 12 . 1 1 24 24 ALA HA H 24 4.332 4.332 4.544 -0.212 19487 2999 1 12 . 1 1 24 24 ALA C C 24 173.702 173.702 174.286 -0.584 19487 3000 1 12 . 1 1 24 24 ALA CA C 24 53.620 53.620 51.214 2.406 19487 3001 1 12 . 1 1 24 24 ALA CB C 24 24.927 24.927 21.863 3.064 19487 3002 1 12 . 1 1 24 24 ALA H H 24 8.352 8.352 7.799 0.553 19487 3003 1 12 . 1 1 25 25 ARG N N 25 115.144 115.144 117.908 -2.764 19487 3004 1 12 . 1 1 25 25 ARG HA H 25 5.339 5.339 5.130 0.209 19487 3005 1 12 . 1 1 25 25 ARG C C 25 176.810 176.810 175.360 1.450 19487 3006 1 12 . 1 1 25 25 ARG CA C 25 56.600 56.600 54.668 1.932 19487 3007 1 12 . 1 1 25 25 ARG CB C 25 36.731 36.731 33.169 3.562 19487 3008 1 12 . 1 1 25 25 ARG H H 25 7.882 7.882 8.283 -0.401 19487 3009 1 12 . 1 1 26 26 ASP N N 26 126.595 126.595 121.908 4.687 19487 3010 1 12 . 1 1 26 26 ASP HA H 26 4.951 4.951 4.819 0.132 19487 3011 1 12 . 1 1 26 26 ASP CA C 26 55.811 55.811 54.379 1.432 19487 3012 1 12 . 1 1 26 26 ASP CB C 26 43.672 43.672 40.799 2.873 19487 3013 1 12 . 1 1 26 26 ASP H H 26 9.402 9.402 8.976 0.426 19487 3014 1 12 . 1 1 27 27 PRO HA H 27 4.398 4.398 4.195 0.203 19487 3015 1 12 . 1 1 27 27 PRO C C 27 177.645 177.645 176.862 0.783 19487 3016 1 12 . 1 1 27 27 PRO CA C 27 68.772 68.772 64.997 3.775 19487 3017 1 12 . 1 1 27 27 PRO CB C 27 35.111 35.111 31.941 3.170 19487 3018 1 12 . 1 1 28 28 GLU N N 28 115.064 115.064 117.567 -2.503 19487 3019 1 12 . 1 1 28 28 GLU HA H 28 4.434 4.434 4.405 0.029 19487 3020 1 12 . 1 1 28 28 GLU C C 28 176.259 176.259 176.972 -0.713 19487 3021 1 12 . 1 1 28 28 GLU CA C 28 58.837 58.837 55.804 3.033 19487 3022 1 12 . 1 1 28 28 GLU CB C 28 33.536 33.536 28.289 5.247 19487 3023 1 12 . 1 1 28 28 GLU H H 28 7.970 7.970 8.016 -0.046 19487 3024 1 12 . 1 1 29 29 GLY N N 29 107.797 107.797 108.561 -0.764 19487 3025 1 12 . 1 1 29 29 GLY C C 29 175.283 175.283 174.028 1.255 19487 3026 1 12 . 1 1 29 29 GLY CA C 29 48.501 48.501 45.837 2.664 19487 3027 1 12 . 1 1 29 29 GLY H H 29 8.445 8.445 7.855 0.590 19487 3028 1 12 . 1 1 30 30 LYS N N 30 124.471 124.471 120.270 4.201 19487 3029 1 12 . 1 1 30 30 LYS C C 30 176.712 176.712 175.283 1.429 19487 3030 1 12 . 1 1 30 30 LYS CA C 30 60.736 60.736 56.196 4.540 19487 3031 1 12 . 1 1 30 30 LYS CB C 30 35.661 35.661 33.395 2.266 19487 3032 1 12 . 1 1 30 30 LYS H H 30 9.011 9.011 7.822 1.189 19487 3033 1 12 . 1 1 31 31 ILE N N 31 125.370 125.370 125.660 -0.290 19487 3034 1 12 . 1 1 31 31 ILE HA H 31 4.790 4.790 4.428 0.362 19487 3035 1 12 . 1 1 31 31 ILE C C 31 174.765 174.765 174.275 0.490 19487 3036 1 12 . 1 1 31 31 ILE CA C 31 64.312 64.312 59.885 4.427 19487 3037 1 12 . 1 1 31 31 ILE CB C 31 42.514 42.514 40.260 2.254 19487 3038 1 12 . 1 1 31 31 ILE H H 31 8.425 8.425 8.477 -0.052 19487 3039 1 12 . 1 1 32 32 TYR N N 32 121.507 121.507 124.042 -2.535 19487 3040 1 12 . 1 1 32 32 TYR HA H 32 4.910 4.910 5.331 -0.421 19487 3041 1 12 . 1 1 32 32 TYR C C 32 170.944 170.944 173.052 -2.108 19487 3042 1 12 . 1 1 32 32 TYR CA C 32 58.548 58.548 55.500 3.048 19487 3043 1 12 . 1 1 32 32 TYR CB C 32 42.647 42.647 40.286 2.361 19487 3044 1 12 . 1 1 32 32 TYR H H 32 8.673 8.673 8.723 -0.050 19487 3045 1 12 . 1 1 33 33 TYR N N 33 116.433 116.433 117.502 -1.069 19487 3046 1 12 . 1 1 33 33 TYR HA H 33 5.415 5.415 5.093 0.322 19487 3047 1 12 . 1 1 33 33 TYR C C 33 175.515 175.515 175.302 0.213 19487 3048 1 12 . 1 1 33 33 TYR CA C 33 59.550 59.550 56.841 2.709 19487 3049 1 12 . 1 1 33 33 TYR CB C 33 45.035 45.035 42.252 2.783 19487 3050 1 12 . 1 1 33 33 TYR H H 33 8.700 8.700 8.679 0.021 19487 3051 1 12 . 1 1 34 34 TYR N N 34 117.980 117.980 119.067 -1.087 19487 3052 1 12 . 1 1 34 34 TYR HA H 34 6.018 6.018 5.889 0.129 19487 3053 1 12 . 1 1 34 34 TYR C C 34 171.057 171.057 174.103 -3.046 19487 3054 1 12 . 1 1 34 34 TYR CA C 34 58.465 58.465 55.515 2.950 19487 3055 1 12 . 1 1 34 34 TYR CB C 34 46.750 46.750 40.970 5.780 19487 3056 1 12 . 1 1 34 34 TYR H H 34 9.324 9.324 8.721 0.603 19487 3057 1 12 . 1 1 35 35 HIS N N 35 124.333 124.333 121.739 2.594 19487 3058 1 12 . 1 1 35 35 HIS HA H 35 3.878 3.878 5.185 -1.307 19487 3059 1 12 . 1 1 35 35 HIS C C 35 178.739 178.739 175.649 3.090 19487 3060 1 12 . 1 1 35 35 HIS CA C 35 57.747 57.747 55.810 1.937 19487 3061 1 12 . 1 1 35 35 HIS CB C 35 35.302 35.302 31.683 3.619 19487 3062 1 12 . 1 1 35 35 HIS H H 35 7.704 7.704 9.792 -2.088 19487 3063 1 12 . 1 1 36 36 VAL N N 36 123.002 123.002 122.913 0.089 19487 3064 1 12 . 1 1 36 36 VAL HA H 36 3.753 3.753 4.025 -0.272 19487 3065 1 12 . 1 1 36 36 VAL C C 36 176.638 176.638 176.946 -0.308 19487 3066 1 12 . 1 1 36 36 VAL CA C 36 67.697 67.697 65.113 2.584 19487 3067 1 12 . 1 1 36 36 VAL CB C 36 35.060 35.060 31.987 3.073 19487 3068 1 12 . 1 1 36 36 VAL H H 36 8.559 8.559 8.592 -0.033 19487 3069 1 12 . 1 1 37 37 ILE N N 37 120.608 120.608 120.088 0.520 19487 3070 1 12 . 1 1 37 37 ILE HA H 37 4.194 4.194 3.928 0.266 19487 3071 1 12 . 1 1 37 37 ILE C C 37 178.269 178.269 177.527 0.742 19487 3072 1 12 . 1 1 37 37 ILE CA C 37 65.546 65.546 64.330 1.216 19487 3073 1 12 . 1 1 37 37 ILE CB C 37 41.259 41.259 37.665 3.594 19487 3074 1 12 . 1 1 37 37 ILE H H 37 8.904 8.904 8.405 0.499 19487 3075 1 12 . 1 1 38 38 THR N N 38 112.000 112.000 110.617 1.383 19487 3076 1 12 . 1 1 38 38 THR HA H 38 4.014 4.014 4.202 -0.188 19487 3077 1 12 . 1 1 38 38 THR C C 38 176.608 176.608 174.616 1.992 19487 3078 1 12 . 1 1 38 38 THR CA C 38 66.181 66.181 62.653 3.528 19487 3079 1 12 . 1 1 38 38 THR CB C 38 72.340 72.340 69.404 2.936 19487 3080 1 12 . 1 1 38 38 THR H H 38 8.942 8.942 7.982 0.960 19487 3081 1 12 . 1 1 39 39 ARG N N 39 113.683 113.683 117.431 -3.748 19487 3082 1 12 . 1 1 39 39 ARG HA H 39 4.019 4.019 4.239 -0.220 19487 3083 1 12 . 1 1 39 39 ARG C C 39 174.659 174.659 174.549 0.110 19487 3084 1 12 . 1 1 39 39 ARG CA C 39 59.924 59.924 57.205 2.719 19487 3085 1 12 . 1 1 39 39 ARG CB C 39 28.994 28.994 27.063 1.931 19487 3086 1 12 . 1 1 39 39 ARG H H 39 8.111 8.111 7.912 0.199 19487 3087 1 12 . 1 1 40 40 GLN N N 40 118.822 118.822 115.308 3.514 19487 3088 1 12 . 1 1 40 40 GLN HA H 40 4.335 4.335 4.646 -0.311 19487 3089 1 12 . 1 1 40 40 GLN C C 40 174.969 174.969 174.794 0.175 19487 3090 1 12 . 1 1 40 40 GLN CA C 40 59.216 59.216 54.536 4.679 19487 3091 1 12 . 1 1 40 40 GLN CB C 40 32.661 32.661 32.547 0.114 19487 3092 1 12 . 1 1 40 40 GLN H H 40 7.740 7.740 7.853 -0.113 19487 3093 1 12 . 1 1 41 41 THR N N 41 110.403 110.403 114.967 -4.564 19487 3094 1 12 . 1 1 41 41 THR HA H 41 5.868 5.868 5.646 0.222 19487 3095 1 12 . 1 1 41 41 THR C C 41 174.918 174.918 173.144 1.774 19487 3096 1 12 . 1 1 41 41 THR CA C 41 62.191 62.191 60.760 1.431 19487 3097 1 12 . 1 1 41 41 THR CB C 41 76.145 76.145 70.527 5.618 19487 3098 1 12 . 1 1 41 41 THR H H 41 8.192 8.192 8.539 -0.347 19487 3099 1 12 . 1 1 42 42 GLN N N 42 113.850 113.850 125.960 -12.110 19487 3100 1 12 . 1 1 42 42 GLN HA H 42 4.785 4.785 4.903 -0.118 19487 3101 1 12 . 1 1 42 42 GLN C C 42 174.918 174.918 173.844 1.074 19487 3102 1 12 . 1 1 42 42 GLN CA C 42 58.285 58.285 54.643 3.642 19487 3103 1 12 . 1 1 42 42 GLN CB C 42 35.073 35.073 31.154 3.919 19487 3104 1 12 . 1 1 42 42 GLN H H 42 9.120 9.120 8.716 0.404 19487 3105 1 12 . 1 1 43 43 TRP N N 43 120.166 120.166 126.401 -6.235 19487 3106 1 12 . 1 1 43 43 TRP HA H 43 5.119 5.119 4.899 0.220 19487 3107 1 12 . 1 1 43 43 TRP C C 43 176.115 176.115 175.726 0.389 19487 3108 1 12 . 1 1 43 43 TRP CA C 43 62.184 62.184 60.041 2.143 19487 3109 1 12 . 1 1 43 43 TRP CB C 43 34.495 34.495 30.279 4.216 19487 3110 1 12 . 1 1 43 43 TRP H H 43 9.019 9.019 8.878 0.141 19487 3111 1 12 . 1 1 44 44 ASP N N 44 115.913 115.913 119.511 -3.598 19487 3112 1 12 . 1 1 44 44 ASP HA H 44 5.113 5.113 4.651 0.462 19487 3113 1 12 . 1 1 44 44 ASP CA C 44 54.787 54.787 54.273 0.513 19487 3114 1 12 . 1 1 44 44 ASP CB C 44 43.540 43.540 40.811 2.729 19487 3115 1 12 . 1 1 44 44 ASP H H 44 7.976 7.976 8.490 -0.514 19487 3116 1 12 . 1 1 46 46 PRO HA H 46 3.808 3.808 4.384 -0.576 19487 3117 1 12 . 1 1 46 46 PRO C C 46 175.510 175.510 176.473 -0.963 19487 3118 1 12 . 1 1 46 46 PRO CA C 46 64.219 64.219 62.539 1.680 19487 3119 1 12 . 1 1 46 46 PRO CB C 46 33.572 33.572 32.479 1.093 19487 3120 1 12 . 1 1 47 47 THR N N 47 112.072 112.072 114.446 -2.374 19487 3121 1 12 . 1 1 47 47 THR HA H 47 4.234 4.234 4.138 0.096 19487 3122 1 12 . 1 1 47 47 THR C C 47 174.205 174.205 176.163 -1.958 19487 3123 1 12 . 1 1 47 47 THR CA C 47 63.797 63.797 61.736 2.061 19487 3124 1 12 . 1 1 47 47 THR CB C 47 73.250 73.250 69.753 3.497 19487 3125 1 12 . 1 1 47 47 THR H H 47 7.690 7.690 8.324 -0.634 19487 3126 1 12 . 1 1 48 48 TRP N N 48 123.257 123.257 121.110 2.147 19487 3127 1 12 . 1 1 48 48 TRP HA H 48 4.404 4.404 4.350 0.054 19487 3128 1 12 . 1 1 48 48 TRP C C 48 175.934 175.934 176.124 -0.190 19487 3129 1 12 . 1 1 48 48 TRP CA C 48 60.797 60.797 59.487 1.310 19487 3130 1 12 . 1 1 48 48 TRP CB C 48 32.345 32.345 29.824 2.521 19487 3131 1 12 . 1 1 48 48 TRP H H 48 8.480 8.480 8.343 0.137 19487 3132 1 12 . 1 1 49 49 GLU N N 49 122.782 122.782 119.271 3.511 19487 3133 1 12 . 1 1 49 49 GLU HA H 49 4.273 4.273 4.360 -0.087 19487 3134 1 12 . 1 1 49 49 GLU C C 49 175.847 175.847 175.449 0.398 19487 3135 1 12 . 1 1 49 49 GLU CA C 49 59.213 59.213 55.583 3.630 19487 3136 1 12 . 1 1 49 49 GLU CB C 49 33.752 33.752 30.759 2.993 19487 3137 1 12 . 1 1 49 49 GLU H H 49 8.296 8.296 8.008 0.288 19487 3138 1 12 . 1 1 50 50 SER N N 50 118.313 118.313 121.642 -3.329 19487 3139 1 12 . 1 1 50 50 SER HA H 50 4.613 4.613 4.778 -0.165 19487 3140 1 12 . 1 1 50 50 SER CA C 50 47.633 47.633 55.099 -7.466 19487 3141 1 12 . 1 1 50 50 SER CB C 50 66.397 66.397 63.843 2.554 19487 3142 1 12 . 1 1 50 50 SER H H 50 8.344 8.344 8.217 0.127 19487 3143 1 12 . 1 1 51 51 PRO HA H 51 4.400 4.400 4.453 -0.053 19487 3144 1 12 . 1 1 51 51 PRO C C 51 177.481 177.481 178.031 -0.550 19487 3145 1 12 . 1 1 51 51 PRO CA C 51 66.571 66.571 62.537 4.034 19487 3146 1 12 . 1 1 51 51 PRO CB C 51 35.162 35.162 32.638 2.524 19487 3147 1 12 . 1 1 52 52 GLY N N 52 109.070 109.070 107.465 1.605 19487 3148 1 12 . 1 1 52 52 GLY C C 52 173.969 173.969 174.819 -0.850 19487 3149 1 12 . 1 1 52 52 GLY CA C 52 48.147 48.147 46.235 1.912 19487 3150 1 12 . 1 1 52 52 GLY H H 52 8.345 8.345 8.624 -0.279 19487 3151 1 12 . 1 1 53 53 ASP N N 53 120.558 120.558 120.353 0.205 19487 3152 1 12 . 1 1 53 53 ASP HA H 53 4.589 4.589 4.515 0.074 19487 3153 1 12 . 1 1 53 53 ASP C C 53 176.133 176.133 176.719 -0.586 19487 3154 1 12 . 1 1 53 53 ASP CA C 53 57.417 57.417 55.566 1.851 19487 3155 1 12 . 1 1 53 53 ASP CB C 53 44.256 44.256 40.905 3.351 19487 3156 1 12 . 1 1 53 53 ASP H H 53 8.216 8.216 8.533 -0.317 19487 3157 1 12 . 1 1 54 54 ASP N N 54 120.383 120.383 119.399 0.984 19487 3158 1 12 . 1 1 54 54 ASP HA H 54 4.552 4.552 4.582 -0.030 19487 3159 1 12 . 1 1 54 54 ASP C C 54 175.904 175.904 175.574 0.330 19487 3160 1 12 . 1 1 54 54 ASP CA C 54 57.311 57.311 54.638 2.673 19487 3161 1 12 . 1 1 54 54 ASP CB C 54 44.107 44.107 42.498 1.609 19487 3162 1 12 . 1 1 54 54 ASP H H 54 8.338 8.338 7.552 0.786 19487 3163 1 12 . 1 1 55 55 ALA N N 55 124.730 124.730 122.699 2.031 19487 3164 1 12 . 1 1 55 55 ALA HA H 55 4.383 4.383 4.741 -0.358 19487 3165 1 12 . 1 1 55 55 ALA C C 55 176.939 176.939 175.707 1.232 19487 3166 1 12 . 1 1 55 55 ALA CA C 55 55.436 55.436 51.454 3.982 19487 3167 1 12 . 1 1 55 55 ALA CB C 55 22.413 22.413 20.122 2.291 19487 3168 1 12 . 1 1 55 55 ALA H H 55 8.153 8.153 8.204 -0.051 19487 3169 1 13 . 1 1 2 2 SER N N 2 117.407 117.407 118.634 -1.227 19487 3170 1 13 . 1 1 2 2 SER HA H 2 4.489 4.489 4.403 0.086 19487 3171 1 13 . 1 1 2 2 SER C C 2 176.003 176.003 175.203 0.800 19487 3172 1 13 . 1 1 2 2 SER CA C 2 61.265 61.265 60.211 1.054 19487 3173 1 13 . 1 1 2 2 SER CB C 2 66.930 66.930 62.815 4.115 19487 3174 1 13 . 1 1 2 2 SER H H 2 8.038 8.038 8.516 -0.478 19487 3175 1 13 . 1 1 3 3 ASP N N 3 122.561 122.561 118.201 4.360 19487 3176 1 13 . 1 1 3 3 ASP HA H 3 4.589 4.589 4.575 0.014 19487 3177 1 13 . 1 1 3 3 ASP C C 3 175.831 175.831 176.156 -0.325 19487 3178 1 13 . 1 1 3 3 ASP CA C 3 57.207 57.207 55.687 1.520 19487 3179 1 13 . 1 1 3 3 ASP CB C 3 44.183 44.183 40.970 3.213 19487 3180 1 13 . 1 1 3 3 ASP H H 3 8.506 8.506 8.131 0.375 19487 3181 1 13 . 1 1 4 4 LEU N N 4 123.656 123.656 121.749 1.907 19487 3182 1 13 . 1 1 4 4 LEU HA H 4 4.548 4.548 4.820 -0.272 19487 3183 1 13 . 1 1 4 4 LEU CA C 4 56.089 56.089 51.725 4.364 19487 3184 1 13 . 1 1 4 4 LEU H H 4 8.187 8.187 7.669 0.518 19487 3185 1 13 . 1 1 7 7 PRO HA H 7 4.361 4.361 4.579 -0.218 19487 3186 1 13 . 1 1 7 7 PRO C C 7 175.043 175.043 176.278 -1.235 19487 3187 1 13 . 1 1 7 7 PRO CA C 7 64.870 64.870 62.244 2.626 19487 3188 1 13 . 1 1 7 7 PRO CB C 7 35.143 35.143 32.537 2.606 19487 3189 1 13 . 1 1 8 8 SER N N 8 116.762 116.762 116.891 -0.129 19487 3190 1 13 . 1 1 8 8 SER HA H 8 3.925 3.925 4.740 -0.815 19487 3191 1 13 . 1 1 8 8 SER CA C 8 60.475 60.475 56.172 4.303 19487 3192 1 13 . 1 1 8 8 SER CB C 8 65.096 65.096 62.994 2.102 19487 3193 1 13 . 1 1 8 8 SER H H 8 8.302 8.302 8.343 -0.041 19487 3194 1 13 . 1 1 11 11 ALA HA H 11 4.218 4.218 4.119 0.099 19487 3195 1 13 . 1 1 11 11 ALA C C 11 178.565 178.565 179.629 -1.064 19487 3196 1 13 . 1 1 11 11 ALA CA C 11 55.637 55.637 54.561 1.076 19487 3197 1 13 . 1 1 11 11 ALA CB C 11 21.863 21.863 18.396 3.467 19487 3198 1 13 . 1 1 12 12 ALA N N 12 125.155 125.155 120.617 4.538 19487 3199 1 13 . 1 1 12 12 ALA HA H 12 4.247 4.247 4.175 0.072 19487 3200 1 13 . 1 1 12 12 ALA C C 12 177.718 177.718 179.222 -1.504 19487 3201 1 13 . 1 1 12 12 ALA CA C 12 56.529 56.529 53.939 2.590 19487 3202 1 13 . 1 1 12 12 ALA CB C 12 22.033 22.033 18.092 3.941 19487 3203 1 13 . 1 1 12 12 ALA H H 12 8.596 8.596 8.500 0.096 19487 3204 1 13 . 1 1 13 13 ALA N N 13 122.474 122.474 120.202 2.272 19487 3205 1 13 . 1 1 13 13 ALA HA H 13 4.387 4.387 3.991 0.396 19487 3206 1 13 . 1 1 13 13 ALA C C 13 177.521 177.521 178.276 -0.755 19487 3207 1 13 . 1 1 13 13 ALA CA C 13 55.079 55.079 54.450 0.628 19487 3208 1 13 . 1 1 13 13 ALA CB C 13 22.732 22.732 18.390 4.342 19487 3209 1 13 . 1 1 13 13 ALA H H 13 8.117 8.117 7.459 0.658 19487 3210 1 13 . 1 1 14 14 THR N N 14 114.271 114.271 111.253 3.018 19487 3211 1 13 . 1 1 14 14 THR HA H 14 4.196 4.196 4.138 0.058 19487 3212 1 13 . 1 1 14 14 THR C C 14 174.319 174.319 175.446 -1.127 19487 3213 1 13 . 1 1 14 14 THR CA C 14 65.631 65.631 64.305 1.327 19487 3214 1 13 . 1 1 14 14 THR CB C 14 72.638 72.638 69.121 3.518 19487 3215 1 13 . 1 1 14 14 THR H H 14 8.202 8.202 7.487 0.715 19487 3216 1 13 . 1 1 15 15 ILE N N 15 125.881 125.881 120.732 5.149 19487 3217 1 13 . 1 1 15 15 ILE HA H 15 4.139 4.139 4.020 0.119 19487 3218 1 13 . 1 1 15 15 ILE C C 15 175.396 175.396 175.667 -0.271 19487 3219 1 13 . 1 1 15 15 ILE CA C 15 64.025 64.025 61.519 2.506 19487 3220 1 13 . 1 1 15 15 ILE CB C 15 41.834 41.834 38.814 3.020 19487 3221 1 13 . 1 1 15 15 ILE H H 15 8.149 8.149 7.627 0.522 19487 3222 1 13 . 1 1 16 16 VAL N N 16 128.849 128.849 119.938 8.911 19487 3223 1 13 . 1 1 16 16 VAL HA H 16 4.104 4.104 4.015 0.089 19487 3224 1 13 . 1 1 16 16 VAL C C 16 175.476 175.476 174.970 0.506 19487 3225 1 13 . 1 1 16 16 VAL CA C 16 65.134 65.134 63.591 1.543 19487 3226 1 13 . 1 1 16 16 VAL CB C 16 35.473 35.473 31.666 3.807 19487 3227 1 13 . 1 1 16 16 VAL H H 16 8.453 8.453 8.044 0.409 19487 3228 1 13 . 1 1 17 17 LEU N N 17 128.264 128.264 127.125 1.139 19487 3229 1 13 . 1 1 17 17 LEU HA H 17 4.587 4.587 4.521 0.066 19487 3230 1 13 . 1 1 17 17 LEU CA C 17 55.193 55.193 51.582 3.611 19487 3231 1 13 . 1 1 17 17 LEU CB C 17 45.309 45.309 44.577 0.732 19487 3232 1 13 . 1 1 17 17 LEU H H 17 8.538 8.538 8.295 0.243 19487 3233 1 13 . 1 1 19 19 PRO HA H 19 4.200 4.200 4.315 -0.115 19487 3234 1 13 . 1 1 19 19 PRO C C 19 176.905 176.905 177.146 -0.241 19487 3235 1 13 . 1 1 19 19 PRO CA C 19 66.913 66.913 64.596 2.317 19487 3236 1 13 . 1 1 19 19 PRO CB C 19 35.066 35.066 31.926 3.140 19487 3237 1 13 . 1 1 20 20 ASN N N 20 111.422 111.422 114.616 -3.194 19487 3238 1 13 . 1 1 20 20 ASN HA H 20 3.984 3.984 4.567 -0.583 19487 3239 1 13 . 1 1 20 20 ASN C C 20 172.258 172.258 175.002 -2.744 19487 3240 1 13 . 1 1 20 20 ASN CA C 20 58.148 58.148 53.306 4.842 19487 3241 1 13 . 1 1 20 20 ASN CB C 20 39.841 39.841 37.885 1.956 19487 3242 1 13 . 1 1 20 20 ASN H H 20 8.543 8.543 8.315 0.228 19487 3243 1 13 . 1 1 21 21 TRP N N 21 117.593 117.593 120.335 -2.742 19487 3244 1 13 . 1 1 21 21 TRP HA H 21 5.082 5.082 4.389 0.693 19487 3245 1 13 . 1 1 21 21 TRP C C 21 175.610 175.610 175.469 0.141 19487 3246 1 13 . 1 1 21 21 TRP CA C 21 60.096 60.096 57.399 2.697 19487 3247 1 13 . 1 1 21 21 TRP CB C 21 34.695 34.695 30.236 4.459 19487 3248 1 13 . 1 1 21 21 TRP H H 21 7.400 7.400 7.785 -0.385 19487 3249 1 13 . 1 1 22 22 LYS N N 22 121.362 121.362 118.961 2.401 19487 3250 1 13 . 1 1 22 22 LYS HA H 22 4.532 4.532 4.007 0.525 19487 3251 1 13 . 1 1 22 22 LYS C C 22 174.616 174.616 174.547 0.069 19487 3252 1 13 . 1 1 22 22 LYS CA C 22 57.332 57.332 53.426 3.906 19487 3253 1 13 . 1 1 22 22 LYS CB C 22 40.444 40.444 35.979 4.465 19487 3254 1 13 . 1 1 22 22 LYS H H 22 9.007 9.007 7.826 1.181 19487 3255 1 13 . 1 1 23 23 THR N N 23 108.761 108.761 111.391 -2.630 19487 3256 1 13 . 1 1 23 23 THR HA H 23 4.986 4.986 4.885 0.101 19487 3257 1 13 . 1 1 23 23 THR C C 23 173.623 173.623 173.394 0.229 19487 3258 1 13 . 1 1 23 23 THR CA C 23 62.791 62.791 60.014 2.777 19487 3259 1 13 . 1 1 23 23 THR CB C 23 74.679 74.679 69.979 4.700 19487 3260 1 13 . 1 1 23 23 THR H H 23 7.757 7.757 7.892 -0.135 19487 3261 1 13 . 1 1 24 24 ALA N N 24 124.455 124.455 126.728 -2.273 19487 3262 1 13 . 1 1 24 24 ALA HA H 24 4.332 4.332 4.518 -0.186 19487 3263 1 13 . 1 1 24 24 ALA C C 24 173.702 173.702 173.884 -0.182 19487 3264 1 13 . 1 1 24 24 ALA CA C 24 53.620 53.620 50.962 2.658 19487 3265 1 13 . 1 1 24 24 ALA CB C 24 24.927 24.927 22.059 2.868 19487 3266 1 13 . 1 1 24 24 ALA H H 24 8.352 8.352 8.189 0.163 19487 3267 1 13 . 1 1 25 25 ARG N N 25 115.144 115.144 119.480 -4.336 19487 3268 1 13 . 1 1 25 25 ARG HA H 25 5.339 5.339 4.881 0.458 19487 3269 1 13 . 1 1 25 25 ARG C C 25 176.810 176.810 175.447 1.363 19487 3270 1 13 . 1 1 25 25 ARG CA C 25 56.600 56.600 54.556 2.044 19487 3271 1 13 . 1 1 25 25 ARG CB C 25 36.731 36.731 33.439 3.292 19487 3272 1 13 . 1 1 25 25 ARG H H 25 7.882 7.882 8.287 -0.405 19487 3273 1 13 . 1 1 26 26 ASP N N 26 126.595 126.595 124.475 2.120 19487 3274 1 13 . 1 1 26 26 ASP HA H 26 4.951 4.951 5.153 -0.202 19487 3275 1 13 . 1 1 26 26 ASP CA C 26 55.811 55.811 51.909 3.902 19487 3276 1 13 . 1 1 26 26 ASP CB C 26 43.672 43.672 40.946 2.726 19487 3277 1 13 . 1 1 26 26 ASP H H 26 9.402 9.402 8.922 0.480 19487 3278 1 13 . 1 1 27 27 PRO HA H 27 4.398 4.398 4.441 -0.043 19487 3279 1 13 . 1 1 27 27 PRO C C 27 177.645 177.645 176.650 0.995 19487 3280 1 13 . 1 1 27 27 PRO CA C 27 68.772 68.772 64.477 4.295 19487 3281 1 13 . 1 1 27 27 PRO CB C 27 35.111 35.111 31.817 3.294 19487 3282 1 13 . 1 1 28 28 GLU N N 28 115.064 115.064 118.207 -3.143 19487 3283 1 13 . 1 1 28 28 GLU HA H 28 4.434 4.434 4.508 -0.074 19487 3284 1 13 . 1 1 28 28 GLU C C 28 176.259 176.259 176.970 -0.711 19487 3285 1 13 . 1 1 28 28 GLU CA C 28 58.837 58.837 55.324 3.513 19487 3286 1 13 . 1 1 28 28 GLU CB C 28 33.536 33.536 28.086 5.450 19487 3287 1 13 . 1 1 28 28 GLU H H 28 7.970 7.970 7.894 0.076 19487 3288 1 13 . 1 1 29 29 GLY N N 29 107.797 107.797 108.107 -0.310 19487 3289 1 13 . 1 1 29 29 GLY C C 29 175.283 175.283 174.696 0.587 19487 3290 1 13 . 1 1 29 29 GLY CA C 29 48.501 48.501 46.184 2.317 19487 3291 1 13 . 1 1 29 29 GLY H H 29 8.445 8.445 7.814 0.631 19487 3292 1 13 . 1 1 30 30 LYS N N 30 124.471 124.471 120.639 3.832 19487 3293 1 13 . 1 1 30 30 LYS C C 30 176.712 176.712 175.033 1.679 19487 3294 1 13 . 1 1 30 30 LYS CA C 30 60.736 60.736 54.463 6.273 19487 3295 1 13 . 1 1 30 30 LYS CB C 30 35.661 35.661 34.140 1.521 19487 3296 1 13 . 1 1 30 30 LYS H H 30 9.011 9.011 8.636 0.375 19487 3297 1 13 . 1 1 31 31 ILE N N 31 125.370 125.370 123.636 1.734 19487 3298 1 13 . 1 1 31 31 ILE HA H 31 4.790 4.790 4.148 0.642 19487 3299 1 13 . 1 1 31 31 ILE C C 31 174.765 174.765 174.303 0.462 19487 3300 1 13 . 1 1 31 31 ILE CA C 31 64.312 64.312 59.266 5.046 19487 3301 1 13 . 1 1 31 31 ILE CB C 31 42.514 42.514 40.380 2.135 19487 3302 1 13 . 1 1 31 31 ILE H H 31 8.425 8.425 8.589 -0.164 19487 3303 1 13 . 1 1 32 32 TYR N N 32 121.507 121.507 123.421 -1.914 19487 3304 1 13 . 1 1 32 32 TYR HA H 32 4.910 4.910 4.785 0.125 19487 3305 1 13 . 1 1 32 32 TYR C C 32 170.944 170.944 172.638 -1.694 19487 3306 1 13 . 1 1 32 32 TYR CA C 32 58.548 58.548 55.132 3.417 19487 3307 1 13 . 1 1 32 32 TYR CB C 32 42.647 42.647 39.616 3.031 19487 3308 1 13 . 1 1 32 32 TYR H H 32 8.673 8.673 8.302 0.371 19487 3309 1 13 . 1 1 33 33 TYR N N 33 116.433 116.433 115.984 0.449 19487 3310 1 13 . 1 1 33 33 TYR HA H 33 5.415 5.415 5.393 0.022 19487 3311 1 13 . 1 1 33 33 TYR C C 33 175.515 175.515 175.171 0.344 19487 3312 1 13 . 1 1 33 33 TYR CA C 33 59.550 59.550 55.899 3.651 19487 3313 1 13 . 1 1 33 33 TYR CB C 33 45.035 45.035 42.158 2.877 19487 3314 1 13 . 1 1 33 33 TYR H H 33 8.700 8.700 8.919 -0.219 19487 3315 1 13 . 1 1 34 34 TYR N N 34 117.980 117.980 116.138 1.842 19487 3316 1 13 . 1 1 34 34 TYR HA H 34 6.018 6.018 5.649 0.369 19487 3317 1 13 . 1 1 34 34 TYR C C 34 171.057 171.057 174.360 -3.303 19487 3318 1 13 . 1 1 34 34 TYR CA C 34 58.465 58.465 55.855 2.610 19487 3319 1 13 . 1 1 34 34 TYR CB C 34 46.750 46.750 40.979 5.771 19487 3320 1 13 . 1 1 34 34 TYR H H 34 9.324 9.324 9.057 0.267 19487 3321 1 13 . 1 1 35 35 HIS N N 35 124.333 124.333 123.038 1.295 19487 3322 1 13 . 1 1 35 35 HIS HA H 35 3.878 3.878 5.030 -1.152 19487 3323 1 13 . 1 1 35 35 HIS C C 35 178.739 178.739 175.884 2.855 19487 3324 1 13 . 1 1 35 35 HIS CA C 35 57.747 57.747 55.007 2.740 19487 3325 1 13 . 1 1 35 35 HIS CB C 35 35.302 35.302 31.747 3.555 19487 3326 1 13 . 1 1 35 35 HIS H H 35 7.704 7.704 9.428 -1.724 19487 3327 1 13 . 1 1 36 36 VAL N N 36 123.002 123.002 124.423 -1.421 19487 3328 1 13 . 1 1 36 36 VAL HA H 36 3.753 3.753 4.004 -0.251 19487 3329 1 13 . 1 1 36 36 VAL C C 36 176.638 176.638 177.386 -0.748 19487 3330 1 13 . 1 1 36 36 VAL CA C 36 67.697 67.697 65.632 2.065 19487 3331 1 13 . 1 1 36 36 VAL CB C 36 35.060 35.060 31.423 3.637 19487 3332 1 13 . 1 1 36 36 VAL H H 36 8.559 8.559 8.795 -0.236 19487 3333 1 13 . 1 1 37 37 ILE N N 37 120.608 120.608 122.582 -1.974 19487 3334 1 13 . 1 1 37 37 ILE HA H 37 4.194 4.194 3.848 0.346 19487 3335 1 13 . 1 1 37 37 ILE C C 37 178.269 178.269 177.464 0.805 19487 3336 1 13 . 1 1 37 37 ILE CA C 37 65.546 65.546 64.662 0.884 19487 3337 1 13 . 1 1 37 37 ILE CB C 37 41.259 41.259 37.493 3.766 19487 3338 1 13 . 1 1 37 37 ILE H H 37 8.904 8.904 8.303 0.601 19487 3339 1 13 . 1 1 38 38 THR N N 38 112.000 112.000 109.279 2.721 19487 3340 1 13 . 1 1 38 38 THR HA H 38 4.014 4.014 4.273 -0.259 19487 3341 1 13 . 1 1 38 38 THR C C 38 176.608 176.608 174.859 1.749 19487 3342 1 13 . 1 1 38 38 THR CA C 38 66.181 66.181 62.384 3.797 19487 3343 1 13 . 1 1 38 38 THR CB C 38 72.340 72.340 69.495 2.845 19487 3344 1 13 . 1 1 38 38 THR H H 38 8.942 8.942 7.939 1.003 19487 3345 1 13 . 1 1 39 39 ARG N N 39 113.683 113.683 117.902 -4.219 19487 3346 1 13 . 1 1 39 39 ARG HA H 39 4.019 4.019 4.136 -0.117 19487 3347 1 13 . 1 1 39 39 ARG C C 39 174.659 174.659 174.932 -0.273 19487 3348 1 13 . 1 1 39 39 ARG CA C 39 59.924 59.924 57.285 2.639 19487 3349 1 13 . 1 1 39 39 ARG CB C 39 28.994 28.994 27.119 1.875 19487 3350 1 13 . 1 1 39 39 ARG H H 39 8.111 8.111 8.141 -0.030 19487 3351 1 13 . 1 1 40 40 GLN N N 40 118.822 118.822 116.852 1.970 19487 3352 1 13 . 1 1 40 40 GLN HA H 40 4.335 4.335 4.628 -0.293 19487 3353 1 13 . 1 1 40 40 GLN C C 40 174.969 174.969 174.167 0.802 19487 3354 1 13 . 1 1 40 40 GLN CA C 40 59.216 59.216 53.923 5.293 19487 3355 1 13 . 1 1 40 40 GLN CB C 40 32.661 32.661 33.283 -0.622 19487 3356 1 13 . 1 1 40 40 GLN H H 40 7.740 7.740 7.823 -0.083 19487 3357 1 13 . 1 1 41 41 THR N N 41 110.403 110.403 115.032 -4.629 19487 3358 1 13 . 1 1 41 41 THR HA H 41 5.868 5.868 5.220 0.648 19487 3359 1 13 . 1 1 41 41 THR C C 41 174.918 174.918 172.721 2.197 19487 3360 1 13 . 1 1 41 41 THR CA C 41 62.191 62.191 60.981 1.210 19487 3361 1 13 . 1 1 41 41 THR CB C 41 76.145 76.145 70.437 5.708 19487 3362 1 13 . 1 1 41 41 THR H H 41 8.192 8.192 8.460 -0.268 19487 3363 1 13 . 1 1 42 42 GLN N N 42 113.850 113.850 125.682 -11.832 19487 3364 1 13 . 1 1 42 42 GLN HA H 42 4.785 4.785 5.059 -0.274 19487 3365 1 13 . 1 1 42 42 GLN C C 42 174.918 174.918 174.697 0.221 19487 3366 1 13 . 1 1 42 42 GLN CA C 42 58.285 58.285 54.786 3.499 19487 3367 1 13 . 1 1 42 42 GLN CB C 42 35.073 35.073 31.570 3.503 19487 3368 1 13 . 1 1 42 42 GLN H H 42 9.120 9.120 8.911 0.209 19487 3369 1 13 . 1 1 43 43 TRP N N 43 120.166 120.166 126.752 -6.586 19487 3370 1 13 . 1 1 43 43 TRP HA H 43 5.119 5.119 4.968 0.151 19487 3371 1 13 . 1 1 43 43 TRP C C 43 176.115 176.115 177.590 -1.475 19487 3372 1 13 . 1 1 43 43 TRP CA C 43 62.184 62.184 59.968 2.216 19487 3373 1 13 . 1 1 43 43 TRP CB C 43 34.495 34.495 29.988 4.507 19487 3374 1 13 . 1 1 43 43 TRP H H 43 9.019 9.019 9.223 -0.204 19487 3375 1 13 . 1 1 44 44 ASP N N 44 115.913 115.913 117.170 -1.257 19487 3376 1 13 . 1 1 44 44 ASP HA H 44 5.113 5.113 4.912 0.201 19487 3377 1 13 . 1 1 44 44 ASP CA C 44 54.787 54.787 53.834 0.953 19487 3378 1 13 . 1 1 44 44 ASP CB C 44 43.540 43.540 40.163 3.377 19487 3379 1 13 . 1 1 44 44 ASP H H 44 7.976 7.976 8.269 -0.293 19487 3380 1 13 . 1 1 46 46 PRO HA H 46 3.808 3.808 4.344 -0.536 19487 3381 1 13 . 1 1 46 46 PRO C C 46 175.510 175.510 176.233 -0.723 19487 3382 1 13 . 1 1 46 46 PRO CA C 46 64.219 64.219 63.245 0.974 19487 3383 1 13 . 1 1 46 46 PRO CB C 46 33.572 33.572 32.370 1.202 19487 3384 1 13 . 1 1 47 47 THR N N 47 112.072 112.072 114.470 -2.398 19487 3385 1 13 . 1 1 47 47 THR HA H 47 4.234 4.234 4.190 0.044 19487 3386 1 13 . 1 1 47 47 THR C C 47 174.205 174.205 175.585 -1.380 19487 3387 1 13 . 1 1 47 47 THR CA C 47 63.797 63.797 59.788 4.009 19487 3388 1 13 . 1 1 47 47 THR CB C 47 73.250 73.250 69.766 3.484 19487 3389 1 13 . 1 1 47 47 THR H H 47 7.690 7.690 8.262 -0.572 19487 3390 1 13 . 1 1 48 48 TRP N N 48 123.257 123.257 121.473 1.784 19487 3391 1 13 . 1 1 48 48 TRP HA H 48 4.404 4.404 4.241 0.163 19487 3392 1 13 . 1 1 48 48 TRP C C 48 175.934 175.934 175.298 0.636 19487 3393 1 13 . 1 1 48 48 TRP CA C 48 60.797 60.797 59.370 1.427 19487 3394 1 13 . 1 1 48 48 TRP CB C 48 32.345 32.345 29.253 3.092 19487 3395 1 13 . 1 1 48 48 TRP H H 48 8.480 8.480 8.140 0.340 19487 3396 1 13 . 1 1 49 49 GLU N N 49 122.782 122.782 117.787 4.995 19487 3397 1 13 . 1 1 49 49 GLU HA H 49 4.273 4.273 4.246 0.027 19487 3398 1 13 . 1 1 49 49 GLU C C 49 175.847 175.847 175.044 0.803 19487 3399 1 13 . 1 1 49 49 GLU CA C 49 59.213 59.213 55.397 3.816 19487 3400 1 13 . 1 1 49 49 GLU CB C 49 33.752 33.752 31.198 2.554 19487 3401 1 13 . 1 1 49 49 GLU H H 49 8.296 8.296 7.870 0.426 19487 3402 1 13 . 1 1 50 50 SER N N 50 118.313 118.313 119.343 -1.030 19487 3403 1 13 . 1 1 50 50 SER HA H 50 4.613 4.613 4.806 -0.193 19487 3404 1 13 . 1 1 50 50 SER CA C 50 47.633 47.633 55.637 -8.004 19487 3405 1 13 . 1 1 50 50 SER CB C 50 66.397 66.397 63.717 2.680 19487 3406 1 13 . 1 1 50 50 SER H H 50 8.344 8.344 8.360 -0.016 19487 3407 1 13 . 1 1 51 51 PRO HA H 51 4.400 4.400 4.434 -0.034 19487 3408 1 13 . 1 1 51 51 PRO C C 51 177.481 177.481 178.192 -0.711 19487 3409 1 13 . 1 1 51 51 PRO CA C 51 66.571 66.571 62.540 4.031 19487 3410 1 13 . 1 1 51 51 PRO CB C 51 35.162 35.162 32.422 2.740 19487 3411 1 13 . 1 1 52 52 GLY N N 52 109.070 109.070 107.079 1.991 19487 3412 1 13 . 1 1 52 52 GLY C C 52 173.969 173.969 175.303 -1.334 19487 3413 1 13 . 1 1 52 52 GLY CA C 52 48.147 48.147 46.051 2.096 19487 3414 1 13 . 1 1 52 52 GLY H H 52 8.345 8.345 8.560 -0.215 19487 3415 1 13 . 1 1 53 53 ASP N N 53 120.558 120.558 120.748 -0.190 19487 3416 1 13 . 1 1 53 53 ASP HA H 53 4.589 4.589 4.440 0.149 19487 3417 1 13 . 1 1 53 53 ASP C C 53 176.133 176.133 177.022 -0.889 19487 3418 1 13 . 1 1 53 53 ASP CA C 53 57.417 57.417 56.020 1.397 19487 3419 1 13 . 1 1 53 53 ASP CB C 53 44.256 44.256 41.001 3.255 19487 3420 1 13 . 1 1 53 53 ASP H H 53 8.216 8.216 8.352 -0.136 19487 3421 1 13 . 1 1 54 54 ASP N N 54 120.383 120.383 119.344 1.039 19487 3422 1 13 . 1 1 54 54 ASP HA H 54 4.552 4.552 4.457 0.095 19487 3423 1 13 . 1 1 54 54 ASP C C 54 175.904 175.904 175.889 0.015 19487 3424 1 13 . 1 1 54 54 ASP CA C 54 57.311 57.311 54.241 3.070 19487 3425 1 13 . 1 1 54 54 ASP CB C 54 44.107 44.107 41.503 2.604 19487 3426 1 13 . 1 1 54 54 ASP H H 54 8.338 8.338 7.738 0.600 19487 3427 1 13 . 1 1 55 55 ALA N N 55 124.730 124.730 122.490 2.240 19487 3428 1 13 . 1 1 55 55 ALA HA H 55 4.383 4.383 3.985 0.398 19487 3429 1 13 . 1 1 55 55 ALA C C 55 176.939 176.939 177.429 -0.490 19487 3430 1 13 . 1 1 55 55 ALA CA C 55 55.436 55.436 52.566 2.870 19487 3431 1 13 . 1 1 55 55 ALA CB C 55 22.413 22.413 17.294 5.120 19487 3432 1 13 . 1 1 55 55 ALA H H 55 8.153 8.153 7.805 0.348 19487 3433 1 14 . 1 1 2 2 SER N N 2 117.407 117.407 116.111 1.296 19487 3434 1 14 . 1 1 2 2 SER HA H 2 4.489 4.489 4.482 0.007 19487 3435 1 14 . 1 1 2 2 SER C C 2 176.003 176.003 175.091 0.912 19487 3436 1 14 . 1 1 2 2 SER CA C 2 61.265 61.265 59.731 1.534 19487 3437 1 14 . 1 1 2 2 SER CB C 2 66.930 66.930 63.566 3.364 19487 3438 1 14 . 1 1 2 2 SER H H 2 8.038 8.038 8.481 -0.443 19487 3439 1 14 . 1 1 3 3 ASP N N 3 122.561 122.561 119.649 2.912 19487 3440 1 14 . 1 1 3 3 ASP HA H 3 4.589 4.589 4.538 0.051 19487 3441 1 14 . 1 1 3 3 ASP C C 3 175.831 175.831 176.003 -0.172 19487 3442 1 14 . 1 1 3 3 ASP CA C 3 57.207 57.207 55.192 2.015 19487 3443 1 14 . 1 1 3 3 ASP CB C 3 44.183 44.183 40.630 3.553 19487 3444 1 14 . 1 1 3 3 ASP H H 3 8.506 8.506 8.513 -0.007 19487 3445 1 14 . 1 1 4 4 LEU N N 4 123.656 123.656 122.120 1.536 19487 3446 1 14 . 1 1 4 4 LEU HA H 4 4.548 4.548 4.730 -0.182 19487 3447 1 14 . 1 1 4 4 LEU CA C 4 56.089 56.089 52.375 3.714 19487 3448 1 14 . 1 1 4 4 LEU H H 4 8.187 8.187 7.416 0.771 19487 3449 1 14 . 1 1 7 7 PRO HA H 7 4.361 4.361 4.586 -0.225 19487 3450 1 14 . 1 1 7 7 PRO C C 7 175.043 175.043 176.225 -1.182 19487 3451 1 14 . 1 1 7 7 PRO CA C 7 64.870 64.870 62.166 2.704 19487 3452 1 14 . 1 1 7 7 PRO CB C 7 35.143 35.143 32.788 2.355 19487 3453 1 14 . 1 1 8 8 SER N N 8 116.762 116.762 115.769 0.993 19487 3454 1 14 . 1 1 8 8 SER HA H 8 3.925 3.925 4.655 -0.730 19487 3455 1 14 . 1 1 8 8 SER CA C 8 60.475 60.475 55.363 5.112 19487 3456 1 14 . 1 1 8 8 SER CB C 8 65.096 65.096 63.874 1.222 19487 3457 1 14 . 1 1 8 8 SER H H 8 8.302 8.302 8.345 -0.043 19487 3458 1 14 . 1 1 11 11 ALA HA H 11 4.218 4.218 4.138 0.080 19487 3459 1 14 . 1 1 11 11 ALA C C 11 178.565 178.565 179.585 -1.020 19487 3460 1 14 . 1 1 11 11 ALA CA C 11 55.637 55.637 54.484 1.153 19487 3461 1 14 . 1 1 11 11 ALA CB C 11 21.863 21.863 18.439 3.424 19487 3462 1 14 . 1 1 12 12 ALA N N 12 125.155 125.155 120.546 4.609 19487 3463 1 14 . 1 1 12 12 ALA HA H 12 4.247 4.247 4.228 0.019 19487 3464 1 14 . 1 1 12 12 ALA C C 12 177.718 177.718 179.254 -1.536 19487 3465 1 14 . 1 1 12 12 ALA CA C 12 56.529 56.529 53.928 2.601 19487 3466 1 14 . 1 1 12 12 ALA CB C 12 22.033 22.033 18.140 3.893 19487 3467 1 14 . 1 1 12 12 ALA H H 12 8.596 8.596 8.527 0.069 19487 3468 1 14 . 1 1 13 13 ALA N N 13 122.474 122.474 120.651 1.823 19487 3469 1 14 . 1 1 13 13 ALA HA H 13 4.387 4.387 4.055 0.332 19487 3470 1 14 . 1 1 13 13 ALA C C 13 177.521 177.521 178.699 -1.178 19487 3471 1 14 . 1 1 13 13 ALA CA C 13 55.079 55.079 54.808 0.271 19487 3472 1 14 . 1 1 13 13 ALA CB C 13 22.732 22.732 18.424 4.308 19487 3473 1 14 . 1 1 13 13 ALA H H 13 8.117 8.117 7.502 0.615 19487 3474 1 14 . 1 1 14 14 THR N N 14 114.271 114.271 112.218 2.053 19487 3475 1 14 . 1 1 14 14 THR HA H 14 4.196 4.196 4.283 -0.087 19487 3476 1 14 . 1 1 14 14 THR C C 14 174.319 174.319 175.898 -1.579 19487 3477 1 14 . 1 1 14 14 THR CA C 14 65.631 65.631 64.670 0.961 19487 3478 1 14 . 1 1 14 14 THR CB C 14 72.638 72.638 68.936 3.702 19487 3479 1 14 . 1 1 14 14 THR H H 14 8.202 8.202 7.374 0.828 19487 3480 1 14 . 1 1 15 15 ILE N N 15 125.881 125.881 120.692 5.189 19487 3481 1 14 . 1 1 15 15 ILE HA H 15 4.139 4.139 3.817 0.322 19487 3482 1 14 . 1 1 15 15 ILE C C 15 175.396 175.396 175.254 0.142 19487 3483 1 14 . 1 1 15 15 ILE CA C 15 64.025 64.025 63.922 0.103 19487 3484 1 14 . 1 1 15 15 ILE CB C 15 41.834 41.834 38.481 3.353 19487 3485 1 14 . 1 1 15 15 ILE H H 15 8.149 8.149 7.663 0.486 19487 3486 1 14 . 1 1 16 16 VAL N N 16 128.849 128.849 115.878 12.971 19487 3487 1 14 . 1 1 16 16 VAL HA H 16 4.104 4.104 4.254 -0.150 19487 3488 1 14 . 1 1 16 16 VAL C C 16 175.476 175.476 173.972 1.504 19487 3489 1 14 . 1 1 16 16 VAL CA C 16 65.134 65.134 60.910 4.224 19487 3490 1 14 . 1 1 16 16 VAL CB C 16 35.473 35.473 34.268 1.205 19487 3491 1 14 . 1 1 16 16 VAL H H 16 8.453 8.453 7.667 0.786 19487 3492 1 14 . 1 1 17 17 LEU N N 17 128.264 128.264 123.119 5.145 19487 3493 1 14 . 1 1 17 17 LEU HA H 17 4.587 4.587 4.176 0.411 19487 3494 1 14 . 1 1 17 17 LEU CA C 17 55.193 55.193 51.048 4.145 19487 3495 1 14 . 1 1 17 17 LEU CB C 17 45.309 45.309 44.419 0.890 19487 3496 1 14 . 1 1 17 17 LEU H H 17 8.538 8.538 8.226 0.312 19487 3497 1 14 . 1 1 19 19 PRO HA H 19 4.200 4.200 4.644 -0.445 19487 3498 1 14 . 1 1 19 19 PRO C C 19 176.905 176.905 177.179 -0.274 19487 3499 1 14 . 1 1 19 19 PRO CA C 19 66.913 66.913 64.766 2.147 19487 3500 1 14 . 1 1 19 19 PRO CB C 19 35.066 35.066 32.164 2.902 19487 3501 1 14 . 1 1 20 20 ASN N N 20 111.422 111.422 114.476 -3.054 19487 3502 1 14 . 1 1 20 20 ASN HA H 20 3.984 3.984 4.680 -0.696 19487 3503 1 14 . 1 1 20 20 ASN C C 20 172.258 172.258 175.486 -3.228 19487 3504 1 14 . 1 1 20 20 ASN CA C 20 58.148 58.148 53.344 4.804 19487 3505 1 14 . 1 1 20 20 ASN CB C 20 39.841 39.841 38.032 1.809 19487 3506 1 14 . 1 1 20 20 ASN H H 20 8.543 8.543 8.416 0.127 19487 3507 1 14 . 1 1 21 21 TRP N N 21 117.593 117.593 120.841 -3.248 19487 3508 1 14 . 1 1 21 21 TRP HA H 21 5.082 5.082 4.751 0.331 19487 3509 1 14 . 1 1 21 21 TRP C C 21 175.610 175.610 175.283 0.327 19487 3510 1 14 . 1 1 21 21 TRP CA C 21 60.096 60.096 57.586 2.510 19487 3511 1 14 . 1 1 21 21 TRP CB C 21 34.695 34.695 30.666 4.029 19487 3512 1 14 . 1 1 21 21 TRP H H 21 7.400 7.400 7.978 -0.578 19487 3513 1 14 . 1 1 22 22 LYS N N 22 121.362 121.362 119.611 1.751 19487 3514 1 14 . 1 1 22 22 LYS HA H 22 4.532 4.532 4.041 0.491 19487 3515 1 14 . 1 1 22 22 LYS C C 22 174.616 174.616 174.637 -0.021 19487 3516 1 14 . 1 1 22 22 LYS CA C 22 57.332 57.332 53.215 4.117 19487 3517 1 14 . 1 1 22 22 LYS CB C 22 40.444 40.444 36.613 3.831 19487 3518 1 14 . 1 1 22 22 LYS H H 22 9.007 9.007 7.987 1.020 19487 3519 1 14 . 1 1 23 23 THR N N 23 108.761 108.761 111.075 -2.314 19487 3520 1 14 . 1 1 23 23 THR HA H 23 4.986 4.986 4.954 0.033 19487 3521 1 14 . 1 1 23 23 THR C C 23 173.623 173.623 173.427 0.196 19487 3522 1 14 . 1 1 23 23 THR CA C 23 62.791 62.791 59.950 2.841 19487 3523 1 14 . 1 1 23 23 THR CB C 23 74.679 74.679 70.559 4.120 19487 3524 1 14 . 1 1 23 23 THR H H 23 7.757 7.757 8.033 -0.276 19487 3525 1 14 . 1 1 24 24 ALA N N 24 124.455 124.455 127.225 -2.770 19487 3526 1 14 . 1 1 24 24 ALA HA H 24 4.332 4.332 4.644 -0.312 19487 3527 1 14 . 1 1 24 24 ALA C C 24 173.702 173.702 174.067 -0.365 19487 3528 1 14 . 1 1 24 24 ALA CA C 24 53.620 53.620 51.100 2.520 19487 3529 1 14 . 1 1 24 24 ALA CB C 24 24.927 24.927 22.199 2.728 19487 3530 1 14 . 1 1 24 24 ALA H H 24 8.352 8.352 8.214 0.138 19487 3531 1 14 . 1 1 25 25 ARG N N 25 115.144 115.144 121.073 -5.929 19487 3532 1 14 . 1 1 25 25 ARG HA H 25 5.339 5.339 4.882 0.457 19487 3533 1 14 . 1 1 25 25 ARG C C 25 176.810 176.810 174.279 2.531 19487 3534 1 14 . 1 1 25 25 ARG CA C 25 56.600 56.600 55.106 1.494 19487 3535 1 14 . 1 1 25 25 ARG CB C 25 36.731 36.731 33.080 3.651 19487 3536 1 14 . 1 1 25 25 ARG H H 25 7.882 7.882 8.147 -0.265 19487 3537 1 14 . 1 1 26 26 ASP N N 26 126.595 126.595 125.773 0.822 19487 3538 1 14 . 1 1 26 26 ASP HA H 26 4.951 4.951 4.970 -0.019 19487 3539 1 14 . 1 1 26 26 ASP CA C 26 55.811 55.811 52.690 3.121 19487 3540 1 14 . 1 1 26 26 ASP CB C 26 43.672 43.672 41.635 2.037 19487 3541 1 14 . 1 1 26 26 ASP H H 26 9.402 9.402 8.342 1.060 19487 3542 1 14 . 1 1 27 27 PRO HA H 27 4.398 4.398 4.219 0.179 19487 3543 1 14 . 1 1 27 27 PRO C C 27 177.645 177.645 176.613 1.032 19487 3544 1 14 . 1 1 27 27 PRO CA C 27 68.772 68.772 64.724 4.048 19487 3545 1 14 . 1 1 27 27 PRO CB C 27 35.111 35.111 31.689 3.422 19487 3546 1 14 . 1 1 28 28 GLU N N 28 115.064 115.064 118.092 -3.028 19487 3547 1 14 . 1 1 28 28 GLU HA H 28 4.434 4.434 4.423 0.011 19487 3548 1 14 . 1 1 28 28 GLU C C 28 176.259 176.259 176.764 -0.505 19487 3549 1 14 . 1 1 28 28 GLU CA C 28 58.837 58.837 55.834 3.003 19487 3550 1 14 . 1 1 28 28 GLU CB C 28 33.536 33.536 27.738 5.798 19487 3551 1 14 . 1 1 28 28 GLU H H 28 7.970 7.970 8.303 -0.333 19487 3552 1 14 . 1 1 29 29 GLY N N 29 107.797 107.797 107.314 0.483 19487 3553 1 14 . 1 1 29 29 GLY C C 29 175.283 175.283 174.350 0.933 19487 3554 1 14 . 1 1 29 29 GLY CA C 29 48.501 48.501 46.176 2.325 19487 3555 1 14 . 1 1 29 29 GLY H H 29 8.445 8.445 7.575 0.870 19487 3556 1 14 . 1 1 30 30 LYS N N 30 124.471 124.471 120.065 4.406 19487 3557 1 14 . 1 1 30 30 LYS C C 30 176.712 176.712 174.668 2.044 19487 3558 1 14 . 1 1 30 30 LYS CA C 30 60.736 60.736 55.499 5.237 19487 3559 1 14 . 1 1 30 30 LYS CB C 30 35.661 35.661 34.378 1.283 19487 3560 1 14 . 1 1 30 30 LYS H H 30 9.011 9.011 7.690 1.321 19487 3561 1 14 . 1 1 31 31 ILE N N 31 125.370 125.370 123.651 1.719 19487 3562 1 14 . 1 1 31 31 ILE HA H 31 4.790 4.790 4.412 0.378 19487 3563 1 14 . 1 1 31 31 ILE C C 31 174.765 174.765 174.147 0.618 19487 3564 1 14 . 1 1 31 31 ILE CA C 31 64.312 64.312 59.371 4.941 19487 3565 1 14 . 1 1 31 31 ILE CB C 31 42.514 42.514 41.192 1.322 19487 3566 1 14 . 1 1 31 31 ILE H H 31 8.425 8.425 8.526 -0.101 19487 3567 1 14 . 1 1 32 32 TYR N N 32 121.507 121.507 123.424 -1.917 19487 3568 1 14 . 1 1 32 32 TYR HA H 32 4.910 4.910 4.902 0.008 19487 3569 1 14 . 1 1 32 32 TYR C C 32 170.944 170.944 172.761 -1.817 19487 3570 1 14 . 1 1 32 32 TYR CA C 32 58.548 58.548 55.120 3.428 19487 3571 1 14 . 1 1 32 32 TYR CB C 32 42.647 42.647 39.347 3.300 19487 3572 1 14 . 1 1 32 32 TYR H H 32 8.673 8.673 8.173 0.500 19487 3573 1 14 . 1 1 33 33 TYR N N 33 116.433 116.433 116.610 -0.177 19487 3574 1 14 . 1 1 33 33 TYR HA H 33 5.415 5.415 5.435 -0.020 19487 3575 1 14 . 1 1 33 33 TYR C C 33 175.515 175.515 175.328 0.187 19487 3576 1 14 . 1 1 33 33 TYR CA C 33 59.550 59.550 55.755 3.795 19487 3577 1 14 . 1 1 33 33 TYR CB C 33 45.035 45.035 41.185 3.850 19487 3578 1 14 . 1 1 33 33 TYR H H 33 8.700 8.700 8.981 -0.281 19487 3579 1 14 . 1 1 34 34 TYR N N 34 117.980 117.980 116.073 1.907 19487 3580 1 14 . 1 1 34 34 TYR HA H 34 6.018 6.018 5.405 0.613 19487 3581 1 14 . 1 1 34 34 TYR C C 34 171.057 171.057 174.470 -3.413 19487 3582 1 14 . 1 1 34 34 TYR CA C 34 58.465 58.465 55.615 2.850 19487 3583 1 14 . 1 1 34 34 TYR CB C 34 46.750 46.750 40.709 6.041 19487 3584 1 14 . 1 1 34 34 TYR H H 34 9.324 9.324 9.214 0.110 19487 3585 1 14 . 1 1 35 35 HIS N N 35 124.333 124.333 122.631 1.702 19487 3586 1 14 . 1 1 35 35 HIS HA H 35 3.878 3.878 5.204 -1.326 19487 3587 1 14 . 1 1 35 35 HIS C C 35 178.739 178.739 176.144 2.595 19487 3588 1 14 . 1 1 35 35 HIS CA C 35 57.747 57.747 54.304 3.443 19487 3589 1 14 . 1 1 35 35 HIS CB C 35 35.302 35.302 30.894 4.408 19487 3590 1 14 . 1 1 35 35 HIS H H 35 7.704 7.704 9.334 -1.630 19487 3591 1 14 . 1 1 36 36 VAL N N 36 123.002 123.002 123.624 -0.622 19487 3592 1 14 . 1 1 36 36 VAL HA H 36 3.753 3.753 3.997 -0.244 19487 3593 1 14 . 1 1 36 36 VAL C C 36 176.638 176.638 176.658 -0.020 19487 3594 1 14 . 1 1 36 36 VAL CA C 36 67.697 67.697 65.287 2.410 19487 3595 1 14 . 1 1 36 36 VAL CB C 36 35.060 35.060 32.047 3.013 19487 3596 1 14 . 1 1 36 36 VAL H H 36 8.559 8.559 8.636 -0.077 19487 3597 1 14 . 1 1 37 37 ILE N N 37 120.608 120.608 119.822 0.786 19487 3598 1 14 . 1 1 37 37 ILE HA H 37 4.194 4.194 3.980 0.214 19487 3599 1 14 . 1 1 37 37 ILE C C 37 178.269 178.269 177.529 0.740 19487 3600 1 14 . 1 1 37 37 ILE CA C 37 65.546 65.546 64.113 1.433 19487 3601 1 14 . 1 1 37 37 ILE CB C 37 41.259 41.259 37.948 3.311 19487 3602 1 14 . 1 1 37 37 ILE H H 37 8.904 8.904 8.264 0.640 19487 3603 1 14 . 1 1 38 38 THR N N 38 112.000 112.000 110.316 1.684 19487 3604 1 14 . 1 1 38 38 THR HA H 38 4.014 4.014 4.250 -0.236 19487 3605 1 14 . 1 1 38 38 THR C C 38 176.608 176.608 174.836 1.772 19487 3606 1 14 . 1 1 38 38 THR CA C 38 66.181 66.181 62.657 3.524 19487 3607 1 14 . 1 1 38 38 THR CB C 38 72.340 72.340 69.568 2.772 19487 3608 1 14 . 1 1 38 38 THR H H 38 8.942 8.942 7.999 0.943 19487 3609 1 14 . 1 1 39 39 ARG N N 39 113.683 113.683 117.958 -4.275 19487 3610 1 14 . 1 1 39 39 ARG HA H 39 4.019 4.019 4.144 -0.125 19487 3611 1 14 . 1 1 39 39 ARG C C 39 174.659 174.659 174.781 -0.122 19487 3612 1 14 . 1 1 39 39 ARG CA C 39 59.924 59.924 57.258 2.666 19487 3613 1 14 . 1 1 39 39 ARG CB C 39 28.994 28.994 27.122 1.871 19487 3614 1 14 . 1 1 39 39 ARG H H 39 8.111 8.111 8.111 -0.000 19487 3615 1 14 . 1 1 40 40 GLN N N 40 118.822 118.822 117.003 1.819 19487 3616 1 14 . 1 1 40 40 GLN HA H 40 4.335 4.335 4.669 -0.334 19487 3617 1 14 . 1 1 40 40 GLN C C 40 174.969 174.969 174.007 0.962 19487 3618 1 14 . 1 1 40 40 GLN CA C 40 59.216 59.216 54.221 4.995 19487 3619 1 14 . 1 1 40 40 GLN CB C 40 32.661 32.661 33.198 -0.537 19487 3620 1 14 . 1 1 40 40 GLN H H 40 7.740 7.740 7.846 -0.106 19487 3621 1 14 . 1 1 41 41 THR N N 41 110.403 110.403 114.188 -3.785 19487 3622 1 14 . 1 1 41 41 THR HA H 41 5.868 5.868 4.879 0.989 19487 3623 1 14 . 1 1 41 41 THR C C 41 174.918 174.918 173.144 1.774 19487 3624 1 14 . 1 1 41 41 THR CA C 41 62.191 62.191 60.994 1.197 19487 3625 1 14 . 1 1 41 41 THR CB C 41 76.145 76.145 70.426 5.719 19487 3626 1 14 . 1 1 41 41 THR H H 41 8.192 8.192 8.460 -0.268 19487 3627 1 14 . 1 1 42 42 GLN N N 42 113.850 113.850 127.016 -13.166 19487 3628 1 14 . 1 1 42 42 GLN HA H 42 4.785 4.785 4.906 -0.121 19487 3629 1 14 . 1 1 42 42 GLN C C 42 174.918 174.918 175.398 -0.480 19487 3630 1 14 . 1 1 42 42 GLN CA C 42 58.285 58.285 54.860 3.425 19487 3631 1 14 . 1 1 42 42 GLN CB C 42 35.073 35.073 31.311 3.762 19487 3632 1 14 . 1 1 42 42 GLN H H 42 9.120 9.120 8.585 0.535 19487 3633 1 14 . 1 1 43 43 TRP N N 43 120.166 120.166 125.292 -5.126 19487 3634 1 14 . 1 1 43 43 TRP HA H 43 5.119 5.119 4.876 0.243 19487 3635 1 14 . 1 1 43 43 TRP C C 43 176.115 176.115 177.589 -1.474 19487 3636 1 14 . 1 1 43 43 TRP CA C 43 62.184 62.184 60.254 1.930 19487 3637 1 14 . 1 1 43 43 TRP CB C 43 34.495 34.495 30.119 4.377 19487 3638 1 14 . 1 1 43 43 TRP H H 43 9.019 9.019 9.154 -0.135 19487 3639 1 14 . 1 1 44 44 ASP N N 44 115.913 115.913 117.941 -2.028 19487 3640 1 14 . 1 1 44 44 ASP HA H 44 5.113 5.113 4.904 0.209 19487 3641 1 14 . 1 1 44 44 ASP CA C 44 54.787 54.787 54.285 0.502 19487 3642 1 14 . 1 1 44 44 ASP CB C 44 43.540 43.540 40.380 3.159 19487 3643 1 14 . 1 1 44 44 ASP H H 44 7.976 7.976 8.570 -0.594 19487 3644 1 14 . 1 1 46 46 PRO HA H 46 3.808 3.808 4.350 -0.542 19487 3645 1 14 . 1 1 46 46 PRO C C 46 175.510 175.510 176.460 -0.950 19487 3646 1 14 . 1 1 46 46 PRO CA C 46 64.219 64.219 62.113 2.106 19487 3647 1 14 . 1 1 46 46 PRO CB C 46 33.572 33.572 32.644 0.928 19487 3648 1 14 . 1 1 47 47 THR N N 47 112.072 112.072 113.958 -1.886 19487 3649 1 14 . 1 1 47 47 THR HA H 47 4.234 4.234 3.281 0.953 19487 3650 1 14 . 1 1 47 47 THR C C 47 174.205 174.205 174.711 -0.506 19487 3651 1 14 . 1 1 47 47 THR CA C 47 63.797 63.797 62.838 0.959 19487 3652 1 14 . 1 1 47 47 THR CB C 47 73.250 73.250 66.987 6.263 19487 3653 1 14 . 1 1 47 47 THR H H 47 7.690 7.690 7.583 0.107 19487 3654 1 14 . 1 1 48 48 TRP N N 48 123.257 123.257 117.725 5.532 19487 3655 1 14 . 1 1 48 48 TRP HA H 48 4.404 4.404 4.384 0.020 19487 3656 1 14 . 1 1 48 48 TRP C C 48 175.934 175.934 176.463 -0.529 19487 3657 1 14 . 1 1 48 48 TRP CA C 48 60.797 60.797 58.746 2.051 19487 3658 1 14 . 1 1 48 48 TRP CB C 48 32.345 32.345 29.181 3.164 19487 3659 1 14 . 1 1 48 48 TRP H H 48 8.480 8.480 6.870 1.610 19487 3660 1 14 . 1 1 49 49 GLU N N 49 122.782 122.782 118.653 4.129 19487 3661 1 14 . 1 1 49 49 GLU HA H 49 4.273 4.273 4.624 -0.351 19487 3662 1 14 . 1 1 49 49 GLU C C 49 175.847 175.847 175.630 0.217 19487 3663 1 14 . 1 1 49 49 GLU CA C 49 59.213 59.213 55.383 3.830 19487 3664 1 14 . 1 1 49 49 GLU CB C 49 33.752 33.752 32.519 1.233 19487 3665 1 14 . 1 1 49 49 GLU H H 49 8.296 8.296 7.924 0.372 19487 3666 1 14 . 1 1 50 50 SER N N 50 118.313 118.313 117.673 0.640 19487 3667 1 14 . 1 1 50 50 SER HA H 50 4.613 4.613 4.834 -0.221 19487 3668 1 14 . 1 1 50 50 SER CA C 50 47.633 47.633 55.461 -7.828 19487 3669 1 14 . 1 1 50 50 SER CB C 50 66.397 66.397 63.586 2.811 19487 3670 1 14 . 1 1 50 50 SER H H 50 8.344 8.344 8.478 -0.134 19487 3671 1 14 . 1 1 51 51 PRO HA H 51 4.400 4.400 4.485 -0.085 19487 3672 1 14 . 1 1 51 51 PRO C C 51 177.481 177.481 178.121 -0.640 19487 3673 1 14 . 1 1 51 51 PRO CA C 51 66.571 66.571 62.582 3.989 19487 3674 1 14 . 1 1 51 51 PRO CB C 51 35.162 35.162 32.663 2.499 19487 3675 1 14 . 1 1 52 52 GLY N N 52 109.070 109.070 108.067 1.003 19487 3676 1 14 . 1 1 52 52 GLY C C 52 173.969 173.969 176.129 -2.160 19487 3677 1 14 . 1 1 52 52 GLY CA C 52 48.147 48.147 46.885 1.262 19487 3678 1 14 . 1 1 52 52 GLY H H 52 8.345 8.345 8.756 -0.411 19487 3679 1 14 . 1 1 53 53 ASP N N 53 120.558 120.558 118.518 2.040 19487 3680 1 14 . 1 1 53 53 ASP HA H 53 4.589 4.589 4.520 0.069 19487 3681 1 14 . 1 1 53 53 ASP C C 53 176.133 176.133 177.045 -0.912 19487 3682 1 14 . 1 1 53 53 ASP CA C 53 57.417 57.417 56.267 1.150 19487 3683 1 14 . 1 1 53 53 ASP CB C 53 44.256 44.256 40.279 3.977 19487 3684 1 14 . 1 1 53 53 ASP H H 53 8.216 8.216 8.595 -0.379 19487 3685 1 14 . 1 1 54 54 ASP N N 54 120.383 120.383 120.488 -0.105 19487 3686 1 14 . 1 1 54 54 ASP HA H 54 4.552 4.552 4.567 -0.015 19487 3687 1 14 . 1 1 54 54 ASP C C 54 175.904 175.904 176.191 -0.287 19487 3688 1 14 . 1 1 54 54 ASP CA C 54 57.311 57.311 55.198 2.113 19487 3689 1 14 . 1 1 54 54 ASP CB C 54 44.107 44.107 41.281 2.826 19487 3690 1 14 . 1 1 54 54 ASP H H 54 8.338 8.338 8.008 0.330 19487 3691 1 14 . 1 1 55 55 ALA N N 55 124.730 124.730 124.052 0.678 19487 3692 1 14 . 1 1 55 55 ALA HA H 55 4.383 4.383 4.670 -0.287 19487 3693 1 14 . 1 1 55 55 ALA C C 55 176.939 176.939 176.294 0.645 19487 3694 1 14 . 1 1 55 55 ALA CA C 55 55.436 55.436 51.172 4.263 19487 3695 1 14 . 1 1 55 55 ALA CB C 55 22.413 22.413 19.303 3.110 19487 3696 1 14 . 1 1 55 55 ALA H H 55 8.153 8.153 8.190 -0.037 19487 3697 1 15 . 1 1 2 2 SER N N 2 117.407 117.407 116.401 1.006 19487 3698 1 15 . 1 1 2 2 SER HA H 2 4.489 4.489 4.236 0.253 19487 3699 1 15 . 1 1 2 2 SER C C 2 176.003 176.003 175.019 0.984 19487 3700 1 15 . 1 1 2 2 SER CA C 2 61.265 61.265 60.592 0.673 19487 3701 1 15 . 1 1 2 2 SER CB C 2 66.930 66.930 63.252 3.678 19487 3702 1 15 . 1 1 2 2 SER H H 2 8.038 8.038 8.554 -0.516 19487 3703 1 15 . 1 1 3 3 ASP N N 3 122.561 122.561 120.978 1.583 19487 3704 1 15 . 1 1 3 3 ASP HA H 3 4.589 4.589 4.571 0.018 19487 3705 1 15 . 1 1 3 3 ASP C C 3 175.831 175.831 176.119 -0.288 19487 3706 1 15 . 1 1 3 3 ASP CA C 3 57.207 57.207 54.797 2.410 19487 3707 1 15 . 1 1 3 3 ASP CB C 3 44.183 44.183 40.657 3.526 19487 3708 1 15 . 1 1 3 3 ASP H H 3 8.506 8.506 8.186 0.320 19487 3709 1 15 . 1 1 4 4 LEU N N 4 123.656 123.656 121.834 1.822 19487 3710 1 15 . 1 1 4 4 LEU HA H 4 4.548 4.548 4.693 -0.145 19487 3711 1 15 . 1 1 4 4 LEU CA C 4 56.089 56.089 51.814 4.275 19487 3712 1 15 . 1 1 4 4 LEU H H 4 8.187 8.187 7.605 0.582 19487 3713 1 15 . 1 1 7 7 PRO HA H 7 4.361 4.361 4.586 -0.225 19487 3714 1 15 . 1 1 7 7 PRO C C 7 175.043 175.043 176.126 -1.083 19487 3715 1 15 . 1 1 7 7 PRO CA C 7 64.870 64.870 62.620 2.250 19487 3716 1 15 . 1 1 7 7 PRO CB C 7 35.143 35.143 32.340 2.803 19487 3717 1 15 . 1 1 8 8 SER N N 8 116.762 116.762 117.380 -0.618 19487 3718 1 15 . 1 1 8 8 SER HA H 8 3.925 3.925 4.727 -0.802 19487 3719 1 15 . 1 1 8 8 SER CA C 8 60.475 60.475 55.878 4.597 19487 3720 1 15 . 1 1 8 8 SER CB C 8 65.096 65.096 63.014 2.082 19487 3721 1 15 . 1 1 8 8 SER H H 8 8.302 8.302 8.273 0.029 19487 3722 1 15 . 1 1 11 11 ALA HA H 11 4.218 4.218 4.231 -0.013 19487 3723 1 15 . 1 1 11 11 ALA C C 11 178.565 178.565 179.363 -0.798 19487 3724 1 15 . 1 1 11 11 ALA CA C 11 55.637 55.637 53.856 1.781 19487 3725 1 15 . 1 1 11 11 ALA CB C 11 21.863 21.863 18.573 3.290 19487 3726 1 15 . 1 1 12 12 ALA N N 12 125.155 125.155 121.569 3.586 19487 3727 1 15 . 1 1 12 12 ALA HA H 12 4.247 4.247 4.210 0.037 19487 3728 1 15 . 1 1 12 12 ALA C C 12 177.718 177.718 179.283 -1.565 19487 3729 1 15 . 1 1 12 12 ALA CA C 12 56.529 56.529 54.028 2.501 19487 3730 1 15 . 1 1 12 12 ALA CB C 12 22.033 22.033 18.252 3.781 19487 3731 1 15 . 1 1 12 12 ALA H H 12 8.596 8.596 8.403 0.193 19487 3732 1 15 . 1 1 13 13 ALA N N 13 122.474 122.474 120.587 1.887 19487 3733 1 15 . 1 1 13 13 ALA HA H 13 4.387 4.387 4.248 0.139 19487 3734 1 15 . 1 1 13 13 ALA C C 13 177.521 177.521 179.107 -1.586 19487 3735 1 15 . 1 1 13 13 ALA CA C 13 55.079 55.079 54.556 0.523 19487 3736 1 15 . 1 1 13 13 ALA CB C 13 22.732 22.732 18.514 4.218 19487 3737 1 15 . 1 1 13 13 ALA H H 13 8.117 8.117 7.907 0.210 19487 3738 1 15 . 1 1 14 14 THR N N 14 114.271 114.271 112.315 1.956 19487 3739 1 15 . 1 1 14 14 THR HA H 14 4.196 4.196 4.172 0.024 19487 3740 1 15 . 1 1 14 14 THR C C 14 174.319 174.319 175.699 -1.380 19487 3741 1 15 . 1 1 14 14 THR CA C 14 65.631 65.631 63.700 1.931 19487 3742 1 15 . 1 1 14 14 THR CB C 14 72.638 72.638 69.369 3.269 19487 3743 1 15 . 1 1 14 14 THR H H 14 8.202 8.202 7.967 0.235 19487 3744 1 15 . 1 1 15 15 ILE N N 15 125.881 125.881 121.146 4.735 19487 3745 1 15 . 1 1 15 15 ILE HA H 15 4.139 4.139 3.954 0.185 19487 3746 1 15 . 1 1 15 15 ILE C C 15 175.396 175.396 175.940 -0.544 19487 3747 1 15 . 1 1 15 15 ILE CA C 15 64.025 64.025 61.906 2.119 19487 3748 1 15 . 1 1 15 15 ILE CB C 15 41.834 41.834 38.844 2.990 19487 3749 1 15 . 1 1 15 15 ILE H H 15 8.149 8.149 7.602 0.547 19487 3750 1 15 . 1 1 16 16 VAL N N 16 128.849 128.849 120.570 8.279 19487 3751 1 15 . 1 1 16 16 VAL HA H 16 4.104 4.104 3.911 0.193 19487 3752 1 15 . 1 1 16 16 VAL C C 16 175.476 175.476 174.578 0.898 19487 3753 1 15 . 1 1 16 16 VAL CA C 16 65.134 65.134 63.571 1.563 19487 3754 1 15 . 1 1 16 16 VAL CB C 16 35.473 35.473 32.310 3.163 19487 3755 1 15 . 1 1 16 16 VAL H H 16 8.453 8.453 8.043 0.410 19487 3756 1 15 . 1 1 17 17 LEU N N 17 128.264 128.264 123.772 4.492 19487 3757 1 15 . 1 1 17 17 LEU HA H 17 4.587 4.587 4.774 -0.187 19487 3758 1 15 . 1 1 17 17 LEU CA C 17 55.193 55.193 52.296 2.897 19487 3759 1 15 . 1 1 17 17 LEU CB C 17 45.309 45.309 42.975 2.334 19487 3760 1 15 . 1 1 17 17 LEU H H 17 8.538 8.538 8.034 0.504 19487 3761 1 15 . 1 1 19 19 PRO HA H 19 4.200 4.200 4.600 -0.400 19487 3762 1 15 . 1 1 19 19 PRO C C 19 176.905 176.905 177.206 -0.301 19487 3763 1 15 . 1 1 19 19 PRO CA C 19 66.913 66.913 64.806 2.107 19487 3764 1 15 . 1 1 19 19 PRO CB C 19 35.066 35.066 32.085 2.981 19487 3765 1 15 . 1 1 20 20 ASN N N 20 111.422 111.422 114.234 -2.812 19487 3766 1 15 . 1 1 20 20 ASN HA H 20 3.984 3.984 4.584 -0.600 19487 3767 1 15 . 1 1 20 20 ASN C C 20 172.258 172.258 175.218 -2.960 19487 3768 1 15 . 1 1 20 20 ASN CA C 20 58.148 58.148 53.976 4.172 19487 3769 1 15 . 1 1 20 20 ASN CB C 20 39.841 39.841 37.971 1.870 19487 3770 1 15 . 1 1 20 20 ASN H H 20 8.543 8.543 8.235 0.308 19487 3771 1 15 . 1 1 21 21 TRP N N 21 117.593 117.593 120.677 -3.084 19487 3772 1 15 . 1 1 21 21 TRP HA H 21 5.082 5.082 5.016 0.066 19487 3773 1 15 . 1 1 21 21 TRP C C 21 175.610 175.610 176.645 -1.035 19487 3774 1 15 . 1 1 21 21 TRP CA C 21 60.096 60.096 58.417 1.679 19487 3775 1 15 . 1 1 21 21 TRP CB C 21 34.695 34.695 30.582 4.113 19487 3776 1 15 . 1 1 21 21 TRP H H 21 7.400 7.400 7.656 -0.256 19487 3777 1 15 . 1 1 22 22 LYS N N 22 121.362 121.362 121.012 0.350 19487 3778 1 15 . 1 1 22 22 LYS HA H 22 4.532 4.532 4.895 -0.363 19487 3779 1 15 . 1 1 22 22 LYS C C 22 174.616 174.616 175.769 -1.153 19487 3780 1 15 . 1 1 22 22 LYS CA C 22 57.332 57.332 54.178 3.155 19487 3781 1 15 . 1 1 22 22 LYS CB C 22 40.444 40.444 36.373 4.071 19487 3782 1 15 . 1 1 22 22 LYS H H 22 9.007 9.007 8.969 0.038 19487 3783 1 15 . 1 1 23 23 THR N N 23 108.761 108.761 111.864 -3.103 19487 3784 1 15 . 1 1 23 23 THR HA H 23 4.986 4.986 5.272 -0.286 19487 3785 1 15 . 1 1 23 23 THR C C 23 173.623 173.623 173.731 -0.108 19487 3786 1 15 . 1 1 23 23 THR CA C 23 62.791 62.791 60.233 2.558 19487 3787 1 15 . 1 1 23 23 THR CB C 23 74.679 74.679 70.114 4.565 19487 3788 1 15 . 1 1 23 23 THR H H 23 7.757 7.757 8.532 -0.775 19487 3789 1 15 . 1 1 24 24 ALA N N 24 124.455 124.455 126.932 -2.477 19487 3790 1 15 . 1 1 24 24 ALA HA H 24 4.332 4.332 4.724 -0.392 19487 3791 1 15 . 1 1 24 24 ALA C C 24 173.702 173.702 174.852 -1.150 19487 3792 1 15 . 1 1 24 24 ALA CA C 24 53.620 53.620 52.013 1.607 19487 3793 1 15 . 1 1 24 24 ALA CB C 24 24.927 24.927 21.996 2.931 19487 3794 1 15 . 1 1 24 24 ALA H H 24 8.352 8.352 8.630 -0.278 19487 3795 1 15 . 1 1 25 25 ARG N N 25 115.144 115.144 118.656 -3.512 19487 3796 1 15 . 1 1 25 25 ARG HA H 25 5.339 5.339 5.443 -0.104 19487 3797 1 15 . 1 1 25 25 ARG C C 25 176.810 176.810 175.341 1.469 19487 3798 1 15 . 1 1 25 25 ARG CA C 25 56.600 56.600 55.159 1.441 19487 3799 1 15 . 1 1 25 25 ARG CB C 25 36.731 36.731 33.326 3.405 19487 3800 1 15 . 1 1 25 25 ARG H H 25 7.882 7.882 8.658 -0.776 19487 3801 1 15 . 1 1 26 26 ASP N N 26 126.595 126.595 122.603 3.992 19487 3802 1 15 . 1 1 26 26 ASP HA H 26 4.951 4.951 5.140 -0.189 19487 3803 1 15 . 1 1 26 26 ASP CA C 26 55.811 55.811 52.569 3.242 19487 3804 1 15 . 1 1 26 26 ASP CB C 26 43.672 43.672 41.733 1.938 19487 3805 1 15 . 1 1 26 26 ASP H H 26 9.402 9.402 8.925 0.477 19487 3806 1 15 . 1 1 27 27 PRO HA H 27 4.398 4.398 4.185 0.213 19487 3807 1 15 . 1 1 27 27 PRO C C 27 177.645 177.645 177.012 0.633 19487 3808 1 15 . 1 1 27 27 PRO CA C 27 68.772 68.772 65.138 3.634 19487 3809 1 15 . 1 1 27 27 PRO CB C 27 35.111 35.111 31.742 3.369 19487 3810 1 15 . 1 1 28 28 GLU N N 28 115.064 115.064 118.018 -2.954 19487 3811 1 15 . 1 1 28 28 GLU HA H 28 4.434 4.434 4.400 0.034 19487 3812 1 15 . 1 1 28 28 GLU C C 28 176.259 176.259 176.816 -0.557 19487 3813 1 15 . 1 1 28 28 GLU CA C 28 58.837 58.837 55.490 3.347 19487 3814 1 15 . 1 1 28 28 GLU CB C 28 33.536 33.536 27.491 6.045 19487 3815 1 15 . 1 1 28 28 GLU H H 28 7.970 7.970 8.482 -0.512 19487 3816 1 15 . 1 1 29 29 GLY N N 29 107.797 107.797 107.721 0.076 19487 3817 1 15 . 1 1 29 29 GLY C C 29 175.283 175.283 174.312 0.971 19487 3818 1 15 . 1 1 29 29 GLY CA C 29 48.501 48.501 46.263 2.238 19487 3819 1 15 . 1 1 29 29 GLY H H 29 8.445 8.445 7.745 0.700 19487 3820 1 15 . 1 1 30 30 LYS N N 30 124.471 124.471 120.200 4.271 19487 3821 1 15 . 1 1 30 30 LYS C C 30 176.712 176.712 174.938 1.774 19487 3822 1 15 . 1 1 30 30 LYS CA C 30 60.736 60.736 55.455 5.281 19487 3823 1 15 . 1 1 30 30 LYS CB C 30 35.661 35.661 33.794 1.867 19487 3824 1 15 . 1 1 30 30 LYS H H 30 9.011 9.011 7.630 1.381 19487 3825 1 15 . 1 1 31 31 ILE N N 31 125.370 125.370 123.269 2.101 19487 3826 1 15 . 1 1 31 31 ILE HA H 31 4.790 4.790 4.625 0.165 19487 3827 1 15 . 1 1 31 31 ILE C C 31 174.765 174.765 174.391 0.374 19487 3828 1 15 . 1 1 31 31 ILE CA C 31 64.312 64.312 60.591 3.721 19487 3829 1 15 . 1 1 31 31 ILE CB C 31 42.514 42.514 40.286 2.228 19487 3830 1 15 . 1 1 31 31 ILE H H 31 8.425 8.425 8.388 0.037 19487 3831 1 15 . 1 1 32 32 TYR N N 32 121.507 121.507 124.902 -3.395 19487 3832 1 15 . 1 1 32 32 TYR HA H 32 4.910 4.910 4.994 -0.084 19487 3833 1 15 . 1 1 32 32 TYR C C 32 170.944 170.944 174.073 -3.129 19487 3834 1 15 . 1 1 32 32 TYR CA C 32 58.548 58.548 55.870 2.678 19487 3835 1 15 . 1 1 32 32 TYR CB C 32 42.647 42.647 41.753 0.894 19487 3836 1 15 . 1 1 32 32 TYR H H 32 8.673 8.673 9.248 -0.575 19487 3837 1 15 . 1 1 33 33 TYR N N 33 116.433 116.433 115.703 0.730 19487 3838 1 15 . 1 1 33 33 TYR HA H 33 5.415 5.415 5.631 -0.216 19487 3839 1 15 . 1 1 33 33 TYR C C 33 175.515 175.515 175.842 -0.327 19487 3840 1 15 . 1 1 33 33 TYR CA C 33 59.550 59.550 55.756 3.794 19487 3841 1 15 . 1 1 33 33 TYR CB C 33 45.035 45.035 41.587 3.448 19487 3842 1 15 . 1 1 33 33 TYR H H 33 8.700 8.700 8.631 0.069 19487 3843 1 15 . 1 1 34 34 TYR N N 34 117.980 117.980 119.879 -1.899 19487 3844 1 15 . 1 1 34 34 TYR HA H 34 6.018 6.018 5.320 0.698 19487 3845 1 15 . 1 1 34 34 TYR C C 34 171.057 171.057 174.697 -3.640 19487 3846 1 15 . 1 1 34 34 TYR CA C 34 58.465 58.465 56.535 1.930 19487 3847 1 15 . 1 1 34 34 TYR CB C 34 46.750 46.750 41.774 4.976 19487 3848 1 15 . 1 1 34 34 TYR H H 34 9.324 9.324 9.176 0.148 19487 3849 1 15 . 1 1 35 35 HIS N N 35 124.333 124.333 122.869 1.464 19487 3850 1 15 . 1 1 35 35 HIS HA H 35 3.878 3.878 4.455 -0.577 19487 3851 1 15 . 1 1 35 35 HIS C C 35 178.739 178.739 176.258 2.481 19487 3852 1 15 . 1 1 35 35 HIS CA C 35 57.747 57.747 53.589 4.159 19487 3853 1 15 . 1 1 35 35 HIS CB C 35 35.302 35.302 30.934 4.368 19487 3854 1 15 . 1 1 35 35 HIS H H 35 7.704 7.704 9.029 -1.325 19487 3855 1 15 . 1 1 36 36 VAL N N 36 123.002 123.002 125.923 -2.921 19487 3856 1 15 . 1 1 36 36 VAL HA H 36 3.753 3.753 3.872 -0.119 19487 3857 1 15 . 1 1 36 36 VAL C C 36 176.638 176.638 176.679 -0.041 19487 3858 1 15 . 1 1 36 36 VAL CA C 36 67.697 67.697 65.704 1.993 19487 3859 1 15 . 1 1 36 36 VAL CB C 36 35.060 35.060 32.054 3.006 19487 3860 1 15 . 1 1 36 36 VAL H H 36 8.559 8.559 7.971 0.588 19487 3861 1 15 . 1 1 37 37 ILE N N 37 120.608 120.608 119.993 0.615 19487 3862 1 15 . 1 1 37 37 ILE HA H 37 4.194 4.194 3.885 0.309 19487 3863 1 15 . 1 1 37 37 ILE C C 37 178.269 178.269 177.592 0.677 19487 3864 1 15 . 1 1 37 37 ILE CA C 37 65.546 65.546 64.301 1.245 19487 3865 1 15 . 1 1 37 37 ILE CB C 37 41.259 41.259 38.006 3.253 19487 3866 1 15 . 1 1 37 37 ILE H H 37 8.904 8.904 8.349 0.555 19487 3867 1 15 . 1 1 38 38 THR N N 38 112.000 112.000 112.000 0.000 19487 3868 1 15 . 1 1 38 38 THR HA H 38 4.014 4.014 3.997 0.017 19487 3869 1 15 . 1 1 38 38 THR C C 38 176.608 176.608 174.622 1.986 19487 3870 1 15 . 1 1 38 38 THR CA C 38 66.181 66.181 63.051 3.130 19487 3871 1 15 . 1 1 38 38 THR CB C 38 72.340 72.340 68.855 3.485 19487 3872 1 15 . 1 1 38 38 THR H H 38 8.942 8.942 7.447 1.495 19487 3873 1 15 . 1 1 39 39 ARG N N 39 113.683 113.683 117.874 -4.191 19487 3874 1 15 . 1 1 39 39 ARG HA H 39 4.019 4.019 3.998 0.021 19487 3875 1 15 . 1 1 39 39 ARG C C 39 174.659 174.659 174.707 -0.048 19487 3876 1 15 . 1 1 39 39 ARG CA C 39 59.924 59.924 57.086 2.838 19487 3877 1 15 . 1 1 39 39 ARG CB C 39 28.994 28.994 27.252 1.742 19487 3878 1 15 . 1 1 39 39 ARG H H 39 8.111 8.111 7.685 0.426 19487 3879 1 15 . 1 1 40 40 GLN N N 40 118.822 118.822 117.132 1.690 19487 3880 1 15 . 1 1 40 40 GLN HA H 40 4.335 4.335 4.634 -0.299 19487 3881 1 15 . 1 1 40 40 GLN C C 40 174.969 174.969 174.297 0.672 19487 3882 1 15 . 1 1 40 40 GLN CA C 40 59.216 59.216 54.034 5.182 19487 3883 1 15 . 1 1 40 40 GLN CB C 40 32.661 32.661 33.129 -0.468 19487 3884 1 15 . 1 1 40 40 GLN H H 40 7.740 7.740 7.372 0.368 19487 3885 1 15 . 1 1 41 41 THR N N 41 110.403 110.403 114.563 -4.160 19487 3886 1 15 . 1 1 41 41 THR HA H 41 5.868 5.868 5.434 0.434 19487 3887 1 15 . 1 1 41 41 THR C C 41 174.918 174.918 173.555 1.363 19487 3888 1 15 . 1 1 41 41 THR CA C 41 62.191 62.191 60.849 1.342 19487 3889 1 15 . 1 1 41 41 THR CB C 41 76.145 76.145 70.683 5.462 19487 3890 1 15 . 1 1 41 41 THR H H 41 8.192 8.192 8.607 -0.415 19487 3891 1 15 . 1 1 42 42 GLN N N 42 113.850 113.850 125.942 -12.092 19487 3892 1 15 . 1 1 42 42 GLN HA H 42 4.785 4.785 4.914 -0.129 19487 3893 1 15 . 1 1 42 42 GLN C C 42 174.918 174.918 174.959 -0.041 19487 3894 1 15 . 1 1 42 42 GLN CA C 42 58.285 58.285 54.602 3.683 19487 3895 1 15 . 1 1 42 42 GLN CB C 42 35.073 35.073 30.795 4.278 19487 3896 1 15 . 1 1 42 42 GLN H H 42 9.120 9.120 8.777 0.343 19487 3897 1 15 . 1 1 43 43 TRP N N 43 120.166 120.166 128.155 -7.989 19487 3898 1 15 . 1 1 43 43 TRP HA H 43 5.119 5.119 4.838 0.281 19487 3899 1 15 . 1 1 43 43 TRP C C 43 176.115 176.115 175.791 0.324 19487 3900 1 15 . 1 1 43 43 TRP CA C 43 62.184 62.184 58.882 3.302 19487 3901 1 15 . 1 1 43 43 TRP CB C 43 34.495 34.495 30.788 3.707 19487 3902 1 15 . 1 1 43 43 TRP H H 43 9.019 9.019 9.246 -0.227 19487 3903 1 15 . 1 1 44 44 ASP N N 44 115.913 115.913 120.052 -4.139 19487 3904 1 15 . 1 1 44 44 ASP HA H 44 5.113 5.113 4.592 0.521 19487 3905 1 15 . 1 1 44 44 ASP CA C 44 54.787 54.787 54.596 0.191 19487 3906 1 15 . 1 1 44 44 ASP CB C 44 43.540 43.540 40.400 3.140 19487 3907 1 15 . 1 1 44 44 ASP H H 44 7.976 7.976 8.578 -0.602 19487 3908 1 15 . 1 1 46 46 PRO HA H 46 3.808 3.808 3.699 0.109 19487 3909 1 15 . 1 1 46 46 PRO C C 46 175.510 175.510 176.586 -1.076 19487 3910 1 15 . 1 1 46 46 PRO CA C 46 64.219 64.219 62.097 2.122 19487 3911 1 15 . 1 1 46 46 PRO CB C 46 33.572 33.572 32.216 1.356 19487 3912 1 15 . 1 1 47 47 THR N N 47 112.072 112.072 114.221 -2.149 19487 3913 1 15 . 1 1 47 47 THR HA H 47 4.234 4.234 3.787 0.447 19487 3914 1 15 . 1 1 47 47 THR C C 47 174.205 174.205 175.066 -0.861 19487 3915 1 15 . 1 1 47 47 THR CA C 47 63.797 63.797 61.448 2.349 19487 3916 1 15 . 1 1 47 47 THR CB C 47 73.250 73.250 69.269 3.981 19487 3917 1 15 . 1 1 47 47 THR H H 47 7.690 7.690 7.855 -0.165 19487 3918 1 15 . 1 1 48 48 TRP N N 48 123.257 123.257 121.770 1.487 19487 3919 1 15 . 1 1 48 48 TRP HA H 48 4.404 4.404 4.420 -0.016 19487 3920 1 15 . 1 1 48 48 TRP C C 48 175.934 175.934 175.473 0.461 19487 3921 1 15 . 1 1 48 48 TRP CA C 48 60.797 60.797 59.609 1.188 19487 3922 1 15 . 1 1 48 48 TRP CB C 48 32.345 32.345 29.693 2.652 19487 3923 1 15 . 1 1 48 48 TRP H H 48 8.480 8.480 8.657 -0.177 19487 3924 1 15 . 1 1 49 49 GLU N N 49 122.782 122.782 119.272 3.510 19487 3925 1 15 . 1 1 49 49 GLU HA H 49 4.273 4.273 4.400 -0.127 19487 3926 1 15 . 1 1 49 49 GLU C C 49 175.847 175.847 175.305 0.542 19487 3927 1 15 . 1 1 49 49 GLU CA C 49 59.213 59.213 56.046 3.167 19487 3928 1 15 . 1 1 49 49 GLU CB C 49 33.752 33.752 31.063 2.689 19487 3929 1 15 . 1 1 49 49 GLU H H 49 8.296 8.296 8.170 0.126 19487 3930 1 15 . 1 1 50 50 SER N N 50 118.313 118.313 119.717 -1.404 19487 3931 1 15 . 1 1 50 50 SER HA H 50 4.613 4.613 4.763 -0.150 19487 3932 1 15 . 1 1 50 50 SER CA C 50 47.633 47.633 55.671 -8.038 19487 3933 1 15 . 1 1 50 50 SER CB C 50 66.397 66.397 64.924 1.473 19487 3934 1 15 . 1 1 50 50 SER H H 50 8.344 8.344 8.281 0.063 19487 3935 1 15 . 1 1 51 51 PRO HA H 51 4.400 4.400 4.483 -0.083 19487 3936 1 15 . 1 1 51 51 PRO C C 51 177.481 177.481 178.132 -0.651 19487 3937 1 15 . 1 1 51 51 PRO CA C 51 66.571 66.571 62.536 4.035 19487 3938 1 15 . 1 1 51 51 PRO CB C 51 35.162 35.162 32.760 2.402 19487 3939 1 15 . 1 1 52 52 GLY N N 52 109.070 109.070 107.899 1.171 19487 3940 1 15 . 1 1 52 52 GLY C C 52 173.969 173.969 175.644 -1.675 19487 3941 1 15 . 1 1 52 52 GLY CA C 52 48.147 48.147 46.669 1.478 19487 3942 1 15 . 1 1 52 52 GLY H H 52 8.345 8.345 8.614 -0.269 19487 3943 1 15 . 1 1 53 53 ASP N N 53 120.558 120.558 119.748 0.810 19487 3944 1 15 . 1 1 53 53 ASP HA H 53 4.589 4.589 4.514 0.075 19487 3945 1 15 . 1 1 53 53 ASP C C 53 176.133 176.133 177.027 -0.894 19487 3946 1 15 . 1 1 53 53 ASP CA C 53 57.417 57.417 56.067 1.350 19487 3947 1 15 . 1 1 53 53 ASP CB C 53 44.256 44.256 40.845 3.411 19487 3948 1 15 . 1 1 53 53 ASP H H 53 8.216 8.216 8.417 -0.201 19487 3949 1 15 . 1 1 54 54 ASP N N 54 120.383 120.383 119.064 1.319 19487 3950 1 15 . 1 1 54 54 ASP HA H 54 4.552 4.552 4.610 -0.058 19487 3951 1 15 . 1 1 54 54 ASP C C 54 175.904 175.904 176.033 -0.129 19487 3952 1 15 . 1 1 54 54 ASP CA C 54 57.311 57.311 54.964 2.347 19487 3953 1 15 . 1 1 54 54 ASP CB C 54 44.107 44.107 41.828 2.279 19487 3954 1 15 . 1 1 54 54 ASP H H 54 8.338 8.338 7.680 0.658 19487 3955 1 15 . 1 1 55 55 ALA N N 55 124.730 124.730 122.829 1.901 19487 3956 1 15 . 1 1 55 55 ALA HA H 55 4.383 4.383 4.542 -0.159 19487 3957 1 15 . 1 1 55 55 ALA C C 55 176.939 176.939 176.566 0.373 19487 3958 1 15 . 1 1 55 55 ALA CA C 55 55.436 55.436 51.538 3.898 19487 3959 1 15 . 1 1 55 55 ALA CB C 55 22.413 22.413 20.412 2.001 19487 3960 1 15 . 1 1 55 55 ALA H H 55 8.153 8.153 8.083 0.070 19487 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 42 3.940 -0.326 3.975 19487 2 1 1 "Average Difference" HA 48 0.389 -0.037 0.392 19487 3 1 1 "Average Difference" C 42 1.344 0.095 1.356 19487 4 1 1 "Average Difference" CA 48 3.288 -2.514 2.142 19487 5 1 1 "Average Difference" CB 45 3.314 -3.045 1.324 19487 6 1 1 "Average Difference" HN 42 0.574 -0.143 0.562 19487 7 1 2 "Average Difference" N 42 3.657 -0.152 3.698 19487 8 1 2 "Average Difference" HA 48 0.379 -0.012 0.383 19487 9 1 2 "Average Difference" C 42 1.301 0.168 1.306 19487 10 1 2 "Average Difference" CA 48 3.149 -2.553 1.864 19487 11 1 2 "Average Difference" CB 45 3.443 -3.088 1.542 19487 12 1 2 "Average Difference" HN 42 0.590 -0.102 0.588 19487 13 1 3 "Average Difference" N 42 3.964 -0.132 4.010 19487 14 1 3 "Average Difference" HA 48 0.394 -0.026 0.398 19487 15 1 3 "Average Difference" C 42 1.359 0.131 1.369 19487 16 1 3 "Average Difference" CA 48 3.087 -2.420 1.937 19487 17 1 3 "Average Difference" CB 45 3.408 -3.147 1.324 19487 18 1 3 "Average Difference" HN 42 0.577 -0.153 0.563 19487 19 1 4 "Average Difference" N 42 3.792 -0.315 3.825 19487 20 1 4 "Average Difference" HA 48 0.358 0.007 0.362 19487 21 1 4 "Average Difference" C 42 1.518 0.203 1.522 19487 22 1 4 "Average Difference" CA 48 3.166 -2.540 1.910 19487 23 1 4 "Average Difference" CB 45 3.448 -3.129 1.465 19487 24 1 4 "Average Difference" HN 42 0.588 -0.137 0.579 19487 25 1 5 "Average Difference" N 42 3.557 -0.076 3.599 19487 26 1 5 "Average Difference" HA 48 0.387 -0.004 0.391 19487 27 1 5 "Average Difference" C 42 1.461 0.250 1.457 19487 28 1 5 "Average Difference" CA 48 3.160 -2.523 1.924 19487 29 1 5 "Average Difference" CB 45 3.405 -3.139 1.333 19487 30 1 5 "Average Difference" HN 42 0.633 -0.141 0.625 19487 31 1 6 "Average Difference" N 42 3.687 -0.259 3.723 19487 32 1 6 "Average Difference" HA 48 0.429 -0.036 0.432 19487 33 1 6 "Average Difference" C 42 1.463 0.283 1.453 19487 34 1 6 "Average Difference" CA 48 3.280 -2.572 2.056 19487 35 1 6 "Average Difference" CB 45 3.454 -3.195 1.328 19487 36 1 6 "Average Difference" HN 42 0.643 -0.162 0.630 19487 37 1 7 "Average Difference" N 42 3.723 -0.257 3.759 19487 38 1 7 "Average Difference" HA 48 0.414 -0.018 0.418 19487 39 1 7 "Average Difference" C 42 1.377 0.054 1.393 19487 40 1 7 "Average Difference" CA 48 3.243 -2.593 1.969 19487 41 1 7 "Average Difference" CB 45 3.279 -2.995 1.352 19487 42 1 7 "Average Difference" HN 42 0.620 -0.245 0.576 19487 43 1 8 "Average Difference" N 42 3.798 -0.212 3.838 19487 44 1 8 "Average Difference" HA 48 0.379 -0.045 0.380 19487 45 1 8 "Average Difference" C 42 1.273 0.165 1.277 19487 46 1 8 "Average Difference" CA 48 3.099 -2.551 1.778 19487 47 1 8 "Average Difference" CB 45 3.266 -3.030 1.235 19487 48 1 8 "Average Difference" HN 42 0.647 -0.215 0.617 19487 49 1 9 "Average Difference" N 42 3.869 -0.053 3.916 19487 50 1 9 "Average Difference" HA 48 0.433 -0.019 0.437 19487 51 1 9 "Average Difference" C 42 1.363 0.228 1.360 19487 52 1 9 "Average Difference" CA 48 3.054 -2.406 1.900 19487 53 1 9 "Average Difference" CB 45 3.402 -3.148 1.303 19487 54 1 9 "Average Difference" HN 42 0.561 -0.071 0.564 19487 55 1 10 "Average Difference" N 42 3.633 0.076 3.676 19487 56 1 10 "Average Difference" HA 48 0.373 0.017 0.377 19487 57 1 10 "Average Difference" C 42 1.357 0.098 1.370 19487 58 1 10 "Average Difference" CA 48 3.264 -2.572 2.031 19487 59 1 10 "Average Difference" CB 45 3.307 -3.045 1.305 19487 60 1 10 "Average Difference" HN 42 0.563 -0.188 0.537 19487 61 1 11 "Average Difference" N 42 3.612 -0.405 3.633 19487 62 1 11 "Average Difference" HA 48 0.402 0.018 0.406 19487 63 1 11 "Average Difference" C 42 1.239 0.122 1.248 19487 64 1 11 "Average Difference" CA 48 3.192 -2.539 1.954 19487 65 1 11 "Average Difference" CB 45 3.440 -3.198 1.280 19487 66 1 11 "Average Difference" HN 42 0.582 -0.140 0.572 19487 67 1 12 "Average Difference" N 42 3.750 -0.129 3.794 19487 68 1 12 "Average Difference" HA 48 0.381 0.011 0.384 19487 69 1 12 "Average Difference" C 42 1.260 0.052 1.275 19487 70 1 12 "Average Difference" CA 48 3.080 -2.445 1.893 19487 71 1 12 "Average Difference" CB 45 3.324 -3.091 1.237 19487 72 1 12 "Average Difference" HN 42 0.575 -0.136 0.565 19487 73 1 13 "Average Difference" N 42 3.613 -0.102 3.655 19487 74 1 13 "Average Difference" HA 48 0.381 -0.042 0.383 19487 75 1 13 "Average Difference" C 42 1.226 0.141 1.233 19487 76 1 13 "Average Difference" CA 48 3.283 -2.592 2.037 19487 77 1 13 "Average Difference" CB 45 3.458 -3.232 1.245 19487 78 1 13 "Average Difference" HN 42 0.506 -0.125 0.497 19487 79 1 14 "Average Difference" N 42 4.019 -0.386 4.049 19487 80 1 14 "Average Difference" HA 48 0.425 -0.020 0.429 19487 81 1 14 "Average Difference" C 42 1.341 0.125 1.351 19487 82 1 14 "Average Difference" CA 48 3.229 -2.524 2.035 19487 83 1 14 "Average Difference" CB 45 3.416 -3.112 1.425 19487 84 1 14 "Average Difference" HN 42 0.624 -0.177 0.605 19487 85 1 15 "Average Difference" N 42 3.624 0.192 3.663 19487 86 1 15 "Average Difference" HA 48 0.328 -0.002 0.331 19487 87 1 15 "Average Difference" C 42 1.320 0.263 1.310 19487 88 1 15 "Average Difference" CA 48 3.073 -2.397 1.942 19487 89 1 15 "Average Difference" CB 45 3.290 -3.068 1.202 19487 90 1 15 "Average Difference" HN 42 0.547 -0.091 0.546 19487 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 19487 _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 2 117.407 117.407 116.982 0.425 19487 2 1 . 1 1 2 2 SER HA H 2 4.489 4.489 4.389 0.100 19487 3 1 . 1 1 2 2 SER C C 2 176.003 176.003 175.200 0.803 19487 4 1 . 1 1 2 2 SER CA C 2 61.265 61.265 60.312 0.953 19487 5 1 . 1 1 2 2 SER CB C 2 66.930 66.930 63.499 3.431 19487 6 1 . 1 1 2 2 SER H H 2 8.038 8.038 8.643 -0.605 19487 7 1 . 1 1 3 3 ASP N N 3 122.561 122.561 120.181 2.380 19487 8 1 . 1 1 3 3 ASP HA H 3 4.589 4.589 4.636 -0.047 19487 9 1 . 1 1 3 3 ASP C C 3 175.831 175.831 175.940 -0.109 19487 10 1 . 1 1 3 3 ASP CA C 3 57.207 57.207 55.339 1.868 19487 11 1 . 1 1 3 3 ASP CB C 3 44.183 44.183 41.309 2.874 19487 12 1 . 1 1 3 3 ASP H H 3 8.506 8.506 8.381 0.125 19487 13 1 . 1 1 4 4 LEU N N 4 123.656 123.656 120.868 2.788 19487 14 1 . 1 1 4 4 LEU HA H 4 4.548 4.548 4.752 -0.204 19487 15 1 . 1 1 4 4 LEU CA C 4 56.089 56.089 52.035 4.054 19487 16 1 . 1 1 4 4 LEU H H 4 8.187 8.187 7.572 0.615 19487 17 1 . 1 1 7 7 PRO HA H 7 4.361 4.361 4.600 -0.239 19487 18 1 . 1 1 7 7 PRO C C 7 175.043 175.043 176.150 -1.107 19487 19 1 . 1 1 7 7 PRO CA C 7 64.870 64.870 62.268 2.602 19487 20 1 . 1 1 7 7 PRO CB C 7 35.143 35.143 32.651 2.492 19487 21 1 . 1 1 8 8 SER N N 8 116.762 116.762 116.560 0.202 19487 22 1 . 1 1 8 8 SER HA H 8 3.925 3.925 4.682 -0.757 19487 23 1 . 1 1 8 8 SER CA C 8 60.475 60.475 55.735 4.740 19487 24 1 . 1 1 8 8 SER CB C 8 65.096 65.096 63.411 1.685 19487 25 1 . 1 1 8 8 SER H H 8 8.302 8.302 8.292 0.010 19487 26 1 . 1 1 11 11 ALA HA H 11 4.218 4.218 4.133 0.085 19487 27 1 . 1 1 11 11 ALA C C 11 178.565 178.565 179.376 -0.811 19487 28 1 . 1 1 11 11 ALA CA C 11 55.637 55.637 54.266 1.371 19487 29 1 . 1 1 11 11 ALA CB C 11 21.863 21.863 18.474 3.389 19487 30 1 . 1 1 12 12 ALA N N 12 125.155 125.155 120.903 4.252 19487 31 1 . 1 1 12 12 ALA HA H 12 4.247 4.247 4.168 0.079 19487 32 1 . 1 1 12 12 ALA C C 12 177.718 177.718 179.257 -1.539 19487 33 1 . 1 1 12 12 ALA CA C 12 56.529 56.529 53.972 2.557 19487 34 1 . 1 1 12 12 ALA CB C 12 22.033 22.033 18.118 3.915 19487 35 1 . 1 1 12 12 ALA H H 12 8.596 8.596 8.484 0.112 19487 36 1 . 1 1 13 13 ALA N N 13 122.474 122.474 120.317 2.157 19487 37 1 . 1 1 13 13 ALA HA H 13 4.387 4.387 4.050 0.337 19487 38 1 . 1 1 13 13 ALA C C 13 177.521 177.521 178.591 -1.070 19487 39 1 . 1 1 13 13 ALA CA C 13 55.079 55.079 54.550 0.529 19487 40 1 . 1 1 13 13 ALA CB C 13 22.732 22.732 18.329 4.403 19487 41 1 . 1 1 13 13 ALA H H 13 8.117 8.117 7.533 0.584 19487 42 1 . 1 1 14 14 THR N N 14 114.271 114.271 111.843 2.428 19487 43 1 . 1 1 14 14 THR HA H 14 4.196 4.196 4.208 -0.012 19487 44 1 . 1 1 14 14 THR C C 14 174.319 174.319 175.682 -1.363 19487 45 1 . 1 1 14 14 THR CA C 14 65.631 65.631 64.076 1.555 19487 46 1 . 1 1 14 14 THR CB C 14 72.638 72.638 69.184 3.454 19487 47 1 . 1 1 14 14 THR H H 14 8.202 8.202 7.520 0.682 19487 48 1 . 1 1 15 15 ILE N N 15 125.881 125.881 121.175 4.706 19487 49 1 . 1 1 15 15 ILE HA H 15 4.139 4.139 3.896 0.243 19487 50 1 . 1 1 15 15 ILE C C 15 175.396 175.396 175.468 -0.072 19487 51 1 . 1 1 15 15 ILE CA C 15 64.025 64.025 62.311 1.714 19487 52 1 . 1 1 15 15 ILE CB C 15 41.834 41.834 38.727 3.107 19487 53 1 . 1 1 15 15 ILE H H 15 8.149 8.149 7.630 0.519 19487 54 1 . 1 1 16 16 VAL N N 16 128.849 128.849 118.982 9.867 19487 55 1 . 1 1 16 16 VAL HA H 16 4.104 4.104 4.107 -0.003 19487 56 1 . 1 1 16 16 VAL C C 16 175.476 175.476 174.732 0.744 19487 57 1 . 1 1 16 16 VAL CA C 16 65.134 65.134 62.521 2.613 19487 58 1 . 1 1 16 16 VAL CB C 16 35.473 35.473 32.712 2.761 19487 59 1 . 1 1 16 16 VAL H H 16 8.453 8.453 7.948 0.505 19487 60 1 . 1 1 17 17 LEU N N 17 128.264 128.264 125.509 2.755 19487 61 1 . 1 1 17 17 LEU HA H 17 4.587 4.587 4.682 -0.095 19487 62 1 . 1 1 17 17 LEU CA C 17 55.193 55.193 51.266 3.927 19487 63 1 . 1 1 17 17 LEU CB C 17 45.309 45.309 44.358 0.951 19487 64 1 . 1 1 17 17 LEU H H 17 8.538 8.538 8.250 0.288 19487 65 1 . 1 1 19 19 PRO HA H 19 4.200 4.200 4.390 -0.190 19487 66 1 . 1 1 19 19 PRO C C 19 176.905 176.905 177.187 -0.282 19487 67 1 . 1 1 19 19 PRO CA C 19 66.913 66.913 64.512 2.401 19487 68 1 . 1 1 19 19 PRO CB C 19 35.066 35.066 31.895 3.171 19487 69 1 . 1 1 20 20 ASN N N 20 111.422 111.422 114.272 -2.850 19487 70 1 . 1 1 20 20 ASN HA H 20 3.984 3.984 4.592 -0.608 19487 71 1 . 1 1 20 20 ASN C C 20 172.258 172.258 175.657 -3.399 19487 72 1 . 1 1 20 20 ASN CA C 20 58.148 58.148 53.817 4.331 19487 73 1 . 1 1 20 20 ASN CB C 20 39.841 39.841 37.939 1.902 19487 74 1 . 1 1 20 20 ASN H H 20 8.543 8.543 8.392 0.151 19487 75 1 . 1 1 21 21 TRP N N 21 117.593 117.593 119.750 -2.157 19487 76 1 . 1 1 21 21 TRP HA H 21 5.082 5.082 4.766 0.316 19487 77 1 . 1 1 21 21 TRP C C 21 175.610 175.610 175.557 0.053 19487 78 1 . 1 1 21 21 TRP CA C 21 60.096 60.096 56.443 3.653 19487 79 1 . 1 1 21 21 TRP CB C 21 34.695 34.695 29.916 4.779 19487 80 1 . 1 1 21 21 TRP H H 21 7.400 7.400 7.737 -0.337 19487 81 1 . 1 1 22 22 LYS N N 22 121.362 121.362 120.070 1.292 19487 82 1 . 1 1 22 22 LYS HA H 22 4.532 4.532 4.423 0.109 19487 83 1 . 1 1 22 22 LYS C C 22 174.616 174.616 175.142 -0.526 19487 84 1 . 1 1 22 22 LYS CA C 22 57.332 57.332 53.421 3.911 19487 85 1 . 1 1 22 22 LYS CB C 22 40.444 40.444 36.319 4.125 19487 86 1 . 1 1 22 22 LYS H H 22 9.007 9.007 8.411 0.596 19487 87 1 . 1 1 23 23 THR N N 23 108.761 108.761 111.442 -2.681 19487 88 1 . 1 1 23 23 THR HA H 23 4.986 4.986 5.014 -0.028 19487 89 1 . 1 1 23 23 THR C C 23 173.623 173.623 173.623 0.000 19487 90 1 . 1 1 23 23 THR CA C 23 62.791 62.791 59.981 2.810 19487 91 1 . 1 1 23 23 THR CB C 23 74.679 74.679 70.312 4.367 19487 92 1 . 1 1 23 23 THR H H 23 7.757 7.757 8.147 -0.390 19487 93 1 . 1 1 24 24 ALA N N 24 124.455 124.455 126.618 -2.163 19487 94 1 . 1 1 24 24 ALA HA H 24 4.332 4.332 4.700 -0.368 19487 95 1 . 1 1 24 24 ALA C C 24 173.702 173.702 174.509 -0.807 19487 96 1 . 1 1 24 24 ALA CA C 24 53.620 53.620 51.578 2.042 19487 97 1 . 1 1 24 24 ALA CB C 24 24.927 24.927 22.024 2.903 19487 98 1 . 1 1 24 24 ALA H H 24 8.352 8.352 8.287 0.065 19487 99 1 . 1 1 25 25 ARG N N 25 115.144 115.144 119.306 -4.162 19487 100 1 . 1 1 25 25 ARG HA H 25 5.339 5.339 5.178 0.161 19487 101 1 . 1 1 25 25 ARG C C 25 176.810 176.810 175.127 1.683 19487 102 1 . 1 1 25 25 ARG CA C 25 56.600 56.600 54.804 1.796 19487 103 1 . 1 1 25 25 ARG CB C 25 36.731 36.731 33.391 3.340 19487 104 1 . 1 1 25 25 ARG H H 25 7.882 7.882 8.425 -0.543 19487 105 1 . 1 1 26 26 ASP N N 26 126.595 126.595 123.272 3.323 19487 106 1 . 1 1 26 26 ASP HA H 26 4.951 4.951 5.037 -0.086 19487 107 1 . 1 1 26 26 ASP CA C 26 55.811 55.811 52.775 3.036 19487 108 1 . 1 1 26 26 ASP CB C 26 43.672 43.672 41.292 2.380 19487 109 1 . 1 1 26 26 ASP H H 26 9.402 9.402 8.763 0.639 19487 110 1 . 1 1 27 27 PRO HA H 27 4.398 4.398 4.225 0.173 19487 111 1 . 1 1 27 27 PRO C C 27 177.645 177.645 177.122 0.523 19487 112 1 . 1 1 27 27 PRO CA C 27 68.772 68.772 64.966 3.806 19487 113 1 . 1 1 27 27 PRO CB C 27 35.111 35.111 31.817 3.294 19487 114 1 . 1 1 28 28 GLU N N 28 115.064 115.064 118.347 -3.283 19487 115 1 . 1 1 28 28 GLU HA H 28 4.434 4.434 4.413 0.021 19487 116 1 . 1 1 28 28 GLU C C 28 176.259 176.259 176.635 -0.376 19487 117 1 . 1 1 28 28 GLU CA C 28 58.837 58.837 55.625 3.212 19487 118 1 . 1 1 28 28 GLU CB C 28 33.536 33.536 27.778 5.758 19487 119 1 . 1 1 28 28 GLU H H 28 7.970 7.970 8.268 -0.298 19487 120 1 . 1 1 29 29 GLY N N 29 107.797 107.797 107.972 -0.175 19487 121 1 . 1 1 29 29 GLY C C 29 175.283 175.283 174.361 0.922 19487 122 1 . 1 1 29 29 GLY CA C 29 48.501 48.501 45.995 2.506 19487 123 1 . 1 1 29 29 GLY H H 29 8.445 8.445 7.760 0.685 19487 124 1 . 1 1 30 30 LYS N N 30 124.471 124.471 119.984 4.487 19487 125 1 . 1 1 30 30 LYS C C 30 176.712 176.712 174.787 1.925 19487 126 1 . 1 1 30 30 LYS CA C 30 60.736 60.736 55.212 5.524 19487 127 1 . 1 1 30 30 LYS CB C 30 35.661 35.661 33.824 1.837 19487 128 1 . 1 1 30 30 LYS H H 30 9.011 9.011 7.605 1.406 19487 129 1 . 1 1 31 31 ILE N N 31 125.370 125.370 124.061 1.309 19487 130 1 . 1 1 31 31 ILE HA H 31 4.790 4.790 4.364 0.426 19487 131 1 . 1 1 31 31 ILE C C 31 174.765 174.765 174.105 0.660 19487 132 1 . 1 1 31 31 ILE CA C 31 64.312 64.312 59.714 4.598 19487 133 1 . 1 1 31 31 ILE CB C 31 42.514 42.514 40.421 2.093 19487 134 1 . 1 1 31 31 ILE H H 31 8.425 8.425 8.285 0.140 19487 135 1 . 1 1 32 32 TYR N N 32 121.507 121.507 124.006 -2.499 19487 136 1 . 1 1 32 32 TYR HA H 32 4.910 4.910 4.792 0.118 19487 137 1 . 1 1 32 32 TYR C C 32 170.944 170.944 173.471 -2.527 19487 138 1 . 1 1 32 32 TYR CA C 32 58.548 58.548 55.685 2.863 19487 139 1 . 1 1 32 32 TYR CB C 32 42.647 42.647 41.058 1.589 19487 140 1 . 1 1 32 32 TYR H H 32 8.673 8.673 8.739 -0.066 19487 141 1 . 1 1 33 33 TYR N N 33 116.433 116.433 116.453 -0.020 19487 142 1 . 1 1 33 33 TYR HA H 33 5.415 5.415 5.322 0.093 19487 143 1 . 1 1 33 33 TYR C C 33 175.515 175.515 175.111 0.404 19487 144 1 . 1 1 33 33 TYR CA C 33 59.550 59.550 55.999 3.551 19487 145 1 . 1 1 33 33 TYR CB C 33 45.035 45.035 41.605 3.430 19487 146 1 . 1 1 33 33 TYR H H 33 8.700 8.700 8.583 0.117 19487 147 1 . 1 1 34 34 TYR N N 34 117.980 117.980 117.806 0.174 19487 148 1 . 1 1 34 34 TYR HA H 34 6.018 6.018 5.594 0.424 19487 149 1 . 1 1 34 34 TYR C C 34 171.057 171.057 174.547 -3.490 19487 150 1 . 1 1 34 34 TYR CA C 34 58.465 58.465 55.731 2.734 19487 151 1 . 1 1 34 34 TYR CB C 34 46.750 46.750 40.984 5.766 19487 152 1 . 1 1 34 34 TYR H H 34 9.324 9.324 9.056 0.268 19487 153 1 . 1 1 35 35 HIS N N 35 124.333 124.333 122.975 1.358 19487 154 1 . 1 1 35 35 HIS HA H 35 3.878 3.878 5.065 -1.187 19487 155 1 . 1 1 35 35 HIS C C 35 178.739 178.739 175.843 2.896 19487 156 1 . 1 1 35 35 HIS CA C 35 57.747 57.747 55.279 2.468 19487 157 1 . 1 1 35 35 HIS CB C 35 35.302 35.302 31.693 3.608 19487 158 1 . 1 1 35 35 HIS H H 35 7.704 7.704 9.443 -1.739 19487 159 1 . 1 1 36 36 VAL N N 36 123.002 123.002 124.081 -1.079 19487 160 1 . 1 1 36 36 VAL HA H 36 3.753 3.753 3.994 -0.241 19487 161 1 . 1 1 36 36 VAL C C 36 176.638 176.638 176.746 -0.108 19487 162 1 . 1 1 36 36 VAL CA C 36 67.697 67.697 65.330 2.367 19487 163 1 . 1 1 36 36 VAL CB C 36 35.060 35.060 31.774 3.286 19487 164 1 . 1 1 36 36 VAL H H 36 8.559 8.559 8.569 -0.010 19487 165 1 . 1 1 37 37 ILE N N 37 120.608 120.608 120.026 0.582 19487 166 1 . 1 1 37 37 ILE HA H 37 4.194 4.194 3.914 0.280 19487 167 1 . 1 1 37 37 ILE C C 37 178.269 178.269 177.529 0.740 19487 168 1 . 1 1 37 37 ILE CA C 37 65.546 65.546 64.385 1.161 19487 169 1 . 1 1 37 37 ILE CB C 37 41.259 41.259 37.757 3.502 19487 170 1 . 1 1 37 37 ILE H H 37 8.904 8.904 8.055 0.849 19487 171 1 . 1 1 38 38 THR N N 38 112.000 112.000 110.726 1.274 19487 172 1 . 1 1 38 38 THR HA H 38 4.014 4.014 4.206 -0.192 19487 173 1 . 1 1 38 38 THR C C 38 176.608 176.608 174.818 1.790 19487 174 1 . 1 1 38 38 THR CA C 38 66.181 66.181 62.832 3.349 19487 175 1 . 1 1 38 38 THR CB C 38 72.340 72.340 69.329 3.011 19487 176 1 . 1 1 38 38 THR H H 38 8.942 8.942 7.906 1.036 19487 177 1 . 1 1 39 39 ARG N N 39 113.683 113.683 118.043 -4.360 19487 178 1 . 1 1 39 39 ARG HA H 39 4.019 4.019 4.142 -0.123 19487 179 1 . 1 1 39 39 ARG C C 39 174.659 174.659 174.803 -0.144 19487 180 1 . 1 1 39 39 ARG CA C 39 59.924 59.924 57.272 2.652 19487 181 1 . 1 1 39 39 ARG CB C 39 28.994 28.994 27.280 1.714 19487 182 1 . 1 1 39 39 ARG H H 39 8.111 8.111 8.007 0.104 19487 183 1 . 1 1 40 40 GLN N N 40 118.822 118.822 116.704 2.118 19487 184 1 . 1 1 40 40 GLN HA H 40 4.335 4.335 4.644 -0.309 19487 185 1 . 1 1 40 40 GLN C C 40 174.969 174.969 174.358 0.611 19487 186 1 . 1 1 40 40 GLN CA C 40 59.216 59.216 54.196 5.020 19487 187 1 . 1 1 40 40 GLN CB C 40 32.661 32.661 33.117 -0.456 19487 188 1 . 1 1 40 40 GLN H H 40 7.740 7.740 7.812 -0.072 19487 189 1 . 1 1 41 41 THR N N 41 110.403 110.403 114.730 -4.327 19487 190 1 . 1 1 41 41 THR HA H 41 5.868 5.868 5.333 0.535 19487 191 1 . 1 1 41 41 THR C C 41 174.918 174.918 173.171 1.747 19487 192 1 . 1 1 41 41 THR CA C 41 62.191 62.191 60.894 1.297 19487 193 1 . 1 1 41 41 THR CB C 41 76.145 76.145 70.420 5.725 19487 194 1 . 1 1 41 41 THR H H 41 8.192 8.192 8.467 -0.275 19487 195 1 . 1 1 42 42 GLN N N 42 113.850 113.850 126.172 -12.322 19487 196 1 . 1 1 42 42 GLN HA H 42 4.785 4.785 4.856 -0.071 19487 197 1 . 1 1 42 42 GLN C C 42 174.918 174.918 174.833 0.085 19487 198 1 . 1 1 42 42 GLN CA C 42 58.285 58.285 54.697 3.588 19487 199 1 . 1 1 42 42 GLN CB C 42 35.073 35.073 31.302 3.771 19487 200 1 . 1 1 42 42 GLN H H 42 9.120 9.120 8.682 0.438 19487 201 1 . 1 1 43 43 TRP N N 43 120.166 120.166 126.440 -6.274 19487 202 1 . 1 1 43 43 TRP HA H 43 5.119 5.119 4.773 0.346 19487 203 1 . 1 1 43 43 TRP C C 43 176.115 176.115 176.432 -0.317 19487 204 1 . 1 1 43 43 TRP CA C 43 62.184 62.184 59.466 2.718 19487 205 1 . 1 1 43 43 TRP CB C 43 34.495 34.495 30.233 4.262 19487 206 1 . 1 1 43 43 TRP H H 43 9.019 9.019 8.921 0.098 19487 207 1 . 1 1 44 44 ASP N N 44 115.913 115.913 118.604 -2.691 19487 208 1 . 1 1 44 44 ASP HA H 44 5.113 5.113 4.681 0.432 19487 209 1 . 1 1 44 44 ASP CA C 44 54.787 54.787 54.219 0.568 19487 210 1 . 1 1 44 44 ASP CB C 44 43.540 43.540 40.211 3.329 19487 211 1 . 1 1 44 44 ASP H H 44 7.976 7.976 8.328 -0.352 19487 212 1 . 1 1 46 46 PRO HA H 46 3.808 3.808 4.322 -0.514 19487 213 1 . 1 1 46 46 PRO C C 46 175.510 175.510 176.622 -1.112 19487 214 1 . 1 1 46 46 PRO CA C 46 64.219 64.219 62.639 1.580 19487 215 1 . 1 1 46 46 PRO CB C 46 33.572 33.572 32.394 1.178 19487 216 1 . 1 1 47 47 THR N N 47 112.072 112.072 114.125 -2.053 19487 217 1 . 1 1 47 47 THR HA H 47 4.234 4.234 3.900 0.334 19487 218 1 . 1 1 47 47 THR C C 47 174.205 174.205 175.375 -1.170 19487 219 1 . 1 1 47 47 THR CA C 47 63.797 63.797 61.273 2.524 19487 220 1 . 1 1 47 47 THR CB C 47 73.250 73.250 69.150 4.099 19487 221 1 . 1 1 47 47 THR H H 47 7.690 7.690 8.040 -0.350 19487 222 1 . 1 1 48 48 TRP N N 48 123.257 123.257 120.669 2.588 19487 223 1 . 1 1 48 48 TRP HA H 48 4.404 4.404 4.324 0.080 19487 224 1 . 1 1 48 48 TRP C C 48 175.934 175.934 175.916 0.018 19487 225 1 . 1 1 48 48 TRP CA C 48 60.797 60.797 59.102 1.695 19487 226 1 . 1 1 48 48 TRP CB C 48 32.345 32.345 29.421 2.924 19487 227 1 . 1 1 48 48 TRP H H 48 8.480 8.480 7.978 0.502 19487 228 1 . 1 1 49 49 GLU N N 49 122.782 122.782 118.347 4.435 19487 229 1 . 1 1 49 49 GLU HA H 49 4.273 4.273 4.418 -0.145 19487 230 1 . 1 1 49 49 GLU C C 49 175.847 175.847 175.226 0.621 19487 231 1 . 1 1 49 49 GLU CA C 49 59.213 59.213 55.663 3.550 19487 232 1 . 1 1 49 49 GLU CB C 49 33.752 33.752 31.346 2.406 19487 233 1 . 1 1 49 49 GLU H H 49 8.296 8.296 7.944 0.352 19487 234 1 . 1 1 50 50 SER N N 50 118.313 118.313 119.266 -0.953 19487 235 1 . 1 1 50 50 SER HA H 50 4.613 4.613 4.787 -0.174 19487 236 1 . 1 1 50 50 SER CA C 50 47.633 47.633 55.267 -7.634 19487 237 1 . 1 1 50 50 SER CB C 50 66.397 66.397 64.021 2.376 19487 238 1 . 1 1 50 50 SER H H 50 8.344 8.344 8.313 0.031 19487 239 1 . 1 1 51 51 PRO HA H 51 4.400 4.400 4.469 -0.069 19487 240 1 . 1 1 51 51 PRO C C 51 177.481 177.481 178.005 -0.524 19487 241 1 . 1 1 51 51 PRO CA C 51 66.571 66.571 62.545 4.026 19487 242 1 . 1 1 51 51 PRO CB C 51 35.162 35.162 32.609 2.553 19487 243 1 . 1 1 52 52 GLY N N 52 109.070 109.070 107.531 1.539 19487 244 1 . 1 1 52 52 GLY C C 52 173.969 173.969 175.498 -1.529 19487 245 1 . 1 1 52 52 GLY CA C 52 48.147 48.147 46.497 1.650 19487 246 1 . 1 1 52 52 GLY H H 52 8.345 8.345 8.607 -0.262 19487 247 1 . 1 1 53 53 ASP N N 53 120.558 120.558 119.553 1.005 19487 248 1 . 1 1 53 53 ASP HA H 53 4.589 4.589 4.473 0.116 19487 249 1 . 1 1 53 53 ASP C C 53 176.133 176.133 177.011 -0.878 19487 250 1 . 1 1 53 53 ASP CA C 53 57.417 57.417 56.067 1.350 19487 251 1 . 1 1 53 53 ASP CB C 53 44.256 44.256 40.703 3.553 19487 252 1 . 1 1 53 53 ASP H H 53 8.216 8.216 8.325 -0.109 19487 253 1 . 1 1 54 54 ASP N N 54 120.383 120.383 118.979 1.404 19487 254 1 . 1 1 54 54 ASP HA H 54 4.552 4.552 4.554 -0.002 19487 255 1 . 1 1 54 54 ASP C C 54 175.904 175.904 176.129 -0.225 19487 256 1 . 1 1 54 54 ASP CA C 54 57.311 57.311 54.736 2.575 19487 257 1 . 1 1 54 54 ASP CB C 54 44.107 44.107 41.666 2.442 19487 258 1 . 1 1 54 54 ASP H H 54 8.338 8.338 7.789 0.549 19487 259 1 . 1 1 55 55 ALA N N 55 124.730 124.730 122.426 2.304 19487 260 1 . 1 1 55 55 ALA HA H 55 4.383 4.383 4.319 0.064 19487 261 1 . 1 1 55 55 ALA C C 55 176.939 176.939 176.334 0.605 19487 262 1 . 1 1 55 55 ALA CA C 55 55.436 55.436 52.427 3.009 19487 263 1 . 1 1 55 55 ALA CB C 55 22.413 22.413 18.910 3.503 19487 264 1 . 1 1 55 55 ALA H H 55 8.153 8.153 7.980 0.173 19487 stop_ save_