data_19852 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19852 _Entry.PDB_ID 2MMC 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 19852 _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 ALA N N 2 131.228 131.228 123.911 7.317 19852 2 1 1 . 1 1 2 2 ALA C C 2 187.031 187.031 177.728 9.303 19852 3 1 1 . 1 1 2 2 ALA CA C 2 53.407 53.407 53.388 0.019 19852 4 1 1 . 1 1 2 2 ALA CB C 2 20.027 20.027 18.650 1.377 19852 5 1 1 . 1 1 2 2 ALA H H 2 10.644 10.644 8.320 2.324 19852 6 1 1 . 1 1 3 3 ALA N N 3 124.521 124.521 121.430 3.091 19852 7 1 1 . 1 1 3 3 ALA C C 3 176.566 176.566 176.859 -0.293 19852 8 1 1 . 1 1 3 3 ALA CA C 3 49.894 49.894 51.250 -1.356 19852 9 1 1 . 1 1 3 3 ALA CB C 3 18.270 18.270 20.108 -1.838 19852 10 1 1 . 1 1 3 3 ALA H H 3 8.669 8.669 7.589 1.080 19852 11 1 1 . 1 1 4 4 GLN N N 4 118.080 118.080 121.305 -3.225 19852 12 1 1 . 1 1 4 4 GLN C C 4 176.273 176.273 177.450 -1.177 19852 13 1 1 . 1 1 4 4 GLN CA C 4 54.579 54.579 56.124 -1.545 19852 14 1 1 . 1 1 4 4 GLN CB C 4 27.054 27.054 29.214 -2.160 19852 15 1 1 . 1 1 4 4 GLN H H 4 8.919 8.919 8.386 0.533 19852 16 1 1 . 1 1 5 5 GLY N N 5 121.002 121.002 109.696 11.306 19852 17 1 1 . 1 1 5 5 GLY C C 5 181.877 181.877 174.536 7.341 19852 18 1 1 . 1 1 5 5 GLY CA C 5 45.794 45.794 45.154 0.640 19852 19 1 1 . 1 1 5 5 GLY H H 5 8.082 8.082 8.711 -0.629 19852 20 1 1 . 1 1 6 6 GLU N N 6 129.435 129.435 121.476 7.959 19852 21 1 1 . 1 1 6 6 GLU C C 6 176.566 176.566 175.022 1.544 19852 22 1 1 . 1 1 6 6 GLU CA C 6 56.336 56.336 54.578 1.758 19852 23 1 1 . 1 1 6 6 GLU CB C 6 28.811 28.811 29.832 -1.021 19852 24 1 1 . 1 1 6 6 GLU H H 6 9.267 9.267 8.249 1.018 19852 25 1 1 . 1 1 7 7 PRO C C 7 176.566 176.566 176.321 0.245 19852 26 1 1 . 1 1 7 7 PRO CA C 7 63.672 63.672 62.735 0.937 19852 27 1 1 . 1 1 7 7 PRO CB C 7 31.146 31.146 32.248 -1.102 19852 28 1 1 . 1 1 8 8 GLN N N 8 112.502 112.502 119.805 -7.303 19852 29 1 1 . 1 1 8 8 GLN C C 8 177.445 177.445 176.179 1.266 19852 30 1 1 . 1 1 8 8 GLN CA C 8 50.479 50.479 55.834 -5.355 19852 31 1 1 . 1 1 8 8 GLN CB C 8 28.811 28.811 28.647 0.164 19852 32 1 1 . 1 1 8 8 GLN H H 8 6.220 6.220 8.381 -2.161 19852 33 1 1 . 1 1 9 9 VAL N N 9 117.416 117.416 126.152 -8.736 19852 34 1 1 . 1 1 9 9 VAL C C 9 178.324 178.324 174.364 3.960 19852 35 1 1 . 1 1 9 9 VAL CA C 9 63.363 63.363 62.279 1.084 19852 36 1 1 . 1 1 9 9 VAL CB C 9 34.668 34.668 31.655 3.013 19852 37 1 1 . 1 1 9 9 VAL H H 9 6.561 6.561 8.663 -2.102 19852 38 1 1 . 1 1 10 10 GLN N N 10 113.896 113.896 124.585 -10.689 19852 39 1 1 . 1 1 10 10 GLN C C 10 176.273 176.273 174.593 1.680 19852 40 1 1 . 1 1 10 10 GLN CA C 10 55.164 55.164 53.839 1.325 19852 41 1 1 . 1 1 10 10 GLN CB C 10 28.226 28.226 32.582 -4.356 19852 42 1 1 . 1 1 10 10 GLN H H 10 7.847 7.847 8.132 -0.285 19852 43 1 1 . 1 1 11 11 PHE N N 11 118.744 118.744 121.436 -2.692 19852 44 1 1 . 1 1 11 11 PHE C C 11 176.566 176.566 174.721 1.845 19852 45 1 1 . 1 1 11 11 PHE CA C 11 59.849 59.849 56.525 3.324 19852 46 1 1 . 1 1 11 11 PHE CB C 11 41.109 41.109 43.497 -2.388 19852 47 1 1 . 1 1 11 11 PHE H H 11 8.262 8.262 9.014 -0.752 19852 48 1 1 . 1 1 12 12 LYS N N 12 124.123 124.123 122.248 1.875 19852 49 1 1 . 1 1 12 12 LYS C C 12 177.152 177.152 175.109 2.043 19852 50 1 1 . 1 1 12 12 LYS CA C 12 57.507 57.507 55.829 1.678 19852 51 1 1 . 1 1 12 12 LYS CB C 12 28.811 28.811 33.443 -4.632 19852 52 1 1 . 1 1 12 12 LYS H H 12 8.415 8.415 9.486 -1.071 19852 53 1 1 . 1 1 13 13 LEU N N 13 112.103 112.103 128.667 -16.564 19852 54 1 1 . 1 1 13 13 LEU C C 13 177.738 177.738 174.517 3.221 19852 55 1 1 . 1 1 13 13 LEU CA C 13 54.579 54.579 53.401 1.178 19852 56 1 1 . 1 1 13 13 LEU CB C 13 42.866 42.866 45.643 -2.777 19852 57 1 1 . 1 1 13 13 LEU H H 13 6.905 6.905 9.023 -2.118 19852 58 1 1 . 1 1 14 14 VAL N N 14 127.310 127.310 127.658 -0.348 19852 59 1 1 . 1 1 14 14 VAL C C 14 175.393 175.393 173.939 1.454 19852 60 1 1 . 1 1 14 14 VAL CA C 14 70.976 70.976 61.939 9.037 19852 61 1 1 . 1 1 14 14 VAL CB C 14 28.811 28.811 32.974 -4.163 19852 62 1 1 . 1 1 14 14 VAL H H 14 8.305 8.305 8.777 -0.472 19852 63 1 1 . 1 1 15 15 LEU N N 15 121.400 121.400 131.092 -9.692 19852 64 1 1 . 1 1 15 15 LEU C C 15 173.342 173.342 174.762 -1.420 19852 65 1 1 . 1 1 15 15 LEU CA C 15 56.336 56.336 53.289 3.047 19852 66 1 1 . 1 1 15 15 LEU CB C 15 41.695 41.695 44.538 -2.843 19852 67 1 1 . 1 1 15 15 LEU H H 15 7.785 7.785 8.207 -0.422 19852 68 1 1 . 1 1 16 16 VAL N N 16 121.267 121.267 119.031 2.236 19852 69 1 1 . 1 1 16 16 VAL C C 16 178.324 178.324 174.568 3.756 19852 70 1 1 . 1 1 16 16 VAL CA C 16 63.363 63.363 58.532 4.831 19852 71 1 1 . 1 1 16 16 VAL CB C 16 35.839 35.839 35.291 0.548 19852 72 1 1 . 1 1 16 16 VAL H H 16 8.935 8.935 8.674 0.261 19852 73 1 1 . 1 1 17 17 GLY N N 17 127.908 127.908 107.001 20.907 19852 74 1 1 . 1 1 17 17 GLY C C 17 174.514 174.514 172.483 2.031 19852 75 1 1 . 1 1 17 17 GLY CA C 17 42.281 42.281 44.809 -2.528 19852 76 1 1 . 1 1 17 17 GLY H H 17 9.682 9.682 7.017 2.665 19852 77 1 1 . 1 1 18 18 ASP N N 18 119.673 119.673 120.344 -0.671 19852 78 1 1 . 1 1 18 18 ASP C C 18 176.859 176.859 176.888 -0.029 19852 79 1 1 . 1 1 18 18 ASP CA C 18 55.750 55.750 54.551 1.199 19852 80 1 1 . 1 1 18 18 ASP CB C 18 39.938 39.938 42.279 -2.341 19852 81 1 1 . 1 1 18 18 ASP H H 18 7.879 7.879 8.435 -0.556 19852 82 1 1 . 1 1 19 19 GLY N N 19 120.670 120.670 107.591 13.079 19852 83 1 1 . 1 1 19 19 GLY C C 19 178.324 178.324 175.281 3.043 19852 84 1 1 . 1 1 19 19 GLY CA C 19 42.281 42.281 45.644 -3.363 19852 85 1 1 . 1 1 19 19 GLY H H 19 8.825 8.825 8.638 0.187 19852 86 1 1 . 1 1 20 20 GLY N N 20 129.369 129.369 112.375 16.994 19852 87 1 1 . 1 1 20 20 GLY C C 20 174.221 174.221 175.988 -1.767 19852 88 1 1 . 1 1 20 20 GLY CA C 20 41.695 41.695 45.455 -3.760 19852 89 1 1 . 1 1 20 20 GLY H H 20 8.477 8.477 8.598 -0.121 19852 90 1 1 . 1 1 21 21 THR N N 21 114.560 114.560 113.907 0.653 19852 91 1 1 . 1 1 21 21 THR C C 21 178.617 178.617 175.764 2.853 19852 92 1 1 . 1 1 21 21 THR CA C 21 62.192 62.192 64.543 -2.351 19852 93 1 1 . 1 1 21 21 THR CB C 21 70.390 70.390 69.371 1.019 19852 94 1 1 . 1 1 21 21 THR H H 21 8.196 8.196 7.739 0.457 19852 95 1 1 . 1 1 22 22 GLY N N 22 112.369 112.369 108.159 4.210 19852 96 1 1 . 1 1 22 22 GLY C C 22 184.807 184.807 175.331 9.476 19852 97 1 1 . 1 1 22 22 GLY CA C 22 45.209 45.209 44.971 0.238 19852 98 1 1 . 1 1 22 22 GLY H H 22 6.772 6.772 8.257 -1.485 19852 99 1 1 . 1 1 23 23 LYS N N 23 124.056 124.056 120.386 3.670 19852 100 1 1 . 1 1 23 23 LYS C C 23 176.566 176.566 178.064 -1.498 19852 101 1 1 . 1 1 23 23 LYS CA C 23 56.921 56.921 59.882 -2.961 19852 102 1 1 . 1 1 23 23 LYS CB C 23 35.839 35.839 32.400 3.439 19852 103 1 1 . 1 1 23 23 LYS H H 23 8.180 8.180 7.706 0.474 19852 104 1 1 . 1 1 24 24 THR N N 24 114.627 114.627 113.569 1.058 19852 105 1 1 . 1 1 24 24 THR C C 24 178.324 178.324 176.629 1.695 19852 106 1 1 . 1 1 24 24 THR CA C 24 62.192 62.192 67.807 -5.615 19852 107 1 1 . 1 1 24 24 THR CB C 24 71.562 71.562 67.953 3.609 19852 108 1 1 . 1 1 24 24 THR H H 24 8.469 8.469 8.531 -0.062 19852 109 1 1 . 1 1 25 25 THR N N 25 110.377 110.377 118.331 -7.954 19852 110 1 1 . 1 1 25 25 THR C C 25 178.324 178.324 175.706 2.618 19852 111 1 1 . 1 1 25 25 THR CA C 25 64.534 64.534 67.137 -2.603 19852 112 1 1 . 1 1 25 25 THR CB C 25 71.562 71.562 68.502 3.060 19852 113 1 1 . 1 1 25 25 THR H H 25 8.415 8.415 8.091 0.324 19852 114 1 1 . 1 1 26 26 PHE N N 26 114.295 114.295 122.056 -7.761 19852 115 1 1 . 1 1 26 26 PHE C C 26 174.514 174.514 177.491 -2.977 19852 116 1 1 . 1 1 26 26 PHE CA C 26 53.407 53.407 61.303 -7.896 19852 117 1 1 . 1 1 26 26 PHE CB C 26 40.524 40.524 38.937 1.587 19852 118 1 1 . 1 1 26 26 PHE H H 26 7.707 7.707 8.215 -0.508 19852 119 1 1 . 1 1 27 27 VAL N N 27 123.525 123.525 120.296 3.229 19852 120 1 1 . 1 1 27 27 VAL C C 27 178.031 178.031 177.610 0.421 19852 121 1 1 . 1 1 27 27 VAL CA C 27 67.462 67.462 66.514 0.948 19852 122 1 1 . 1 1 27 27 VAL CB C 27 29.397 29.397 31.389 -1.992 19852 123 1 1 . 1 1 27 27 VAL H H 27 6.987 6.987 8.181 -1.194 19852 124 1 1 . 1 1 28 28 LYS N N 28 114.228 114.228 117.096 -2.868 19852 125 1 1 . 1 1 28 28 LYS C C 28 176.566 176.566 177.524 -0.958 19852 126 1 1 . 1 1 28 28 LYS CA C 28 58.092 58.092 57.941 0.151 19852 127 1 1 . 1 1 28 28 LYS CB C 28 34.082 34.082 31.754 2.328 19852 128 1 1 . 1 1 28 28 LYS H H 28 7.429 7.429 7.796 -0.367 19852 129 1 1 . 1 1 29 29 ARG N N 29 112.037 112.037 116.993 -4.956 19852 130 1 1 . 1 1 29 29 ARG C C 29 174.221 174.221 176.514 -2.293 19852 131 1 1 . 1 1 29 29 ARG CA C 29 72.147 72.147 58.414 13.733 19852 132 1 1 . 1 1 29 29 ARG CB C 29 37.596 37.596 30.145 7.451 19852 133 1 1 . 1 1 29 29 ARG H H 29 6.803 6.803 7.092 -0.289 19852 134 1 1 . 1 1 30 30 HIS N N 30 122.396 122.396 119.264 3.132 19852 135 1 1 . 1 1 30 30 HIS C C 30 172.170 172.170 176.066 -3.896 19852 136 1 1 . 1 1 30 30 HIS CA C 30 51.651 51.651 55.734 -4.083 19852 137 1 1 . 1 1 30 30 HIS CB C 30 30.568 30.568 29.997 0.572 19852 138 1 1 . 1 1 30 30 HIS H H 30 7.644 7.644 7.205 0.439 19852 139 1 1 . 1 1 31 31 LEU N N 31 110.377 110.377 127.868 -17.491 19852 140 1 1 . 1 1 31 31 LEU C C 31 178.031 178.031 178.251 -0.220 19852 141 1 1 . 1 1 31 31 LEU CA C 31 55.164 55.164 57.728 -2.564 19852 142 1 1 . 1 1 31 31 LEU CB C 31 42.281 42.281 41.680 0.601 19852 143 1 1 . 1 1 31 31 LEU H H 31 7.894 7.894 7.915 -0.021 19852 144 1 1 . 1 1 32 32 THR N N 32 118.213 118.213 114.417 3.796 19852 145 1 1 . 1 1 32 32 THR C C 32 178.910 178.910 176.644 2.266 19852 146 1 1 . 1 1 32 32 THR CA C 32 63.949 63.949 67.449 -3.500 19852 147 1 1 . 1 1 32 32 THR CB C 32 72.733 72.733 68.088 4.645 19852 148 1 1 . 1 1 32 32 THR H H 32 7.570 7.570 8.104 -0.534 19852 149 1 1 . 1 1 33 33 GLY N N 33 127.841 127.841 109.628 18.213 19852 150 1 1 . 1 1 33 33 GLY C C 33 161.914 161.914 175.796 -13.882 19852 151 1 1 . 1 1 33 33 GLY CA C 33 42.866 42.866 46.837 -3.970 19852 152 1 1 . 1 1 33 33 GLY H H 33 9.662 9.662 8.193 1.469 19852 153 1 1 . 1 1 34 34 GLU N N 34 122.263 122.263 122.588 -0.325 19852 154 1 1 . 1 1 34 34 GLU C C 34 176.859 176.859 179.922 -3.063 19852 155 1 1 . 1 1 34 34 GLU CA C 34 51.651 51.651 58.701 -7.050 19852 156 1 1 . 1 1 34 34 GLU CB C 34 29.397 29.397 29.565 -0.168 19852 157 1 1 . 1 1 34 34 GLU H H 34 7.140 7.140 7.829 -0.689 19852 158 1 1 . 1 1 35 35 PHE N N 35 111.838 111.838 119.234 -7.396 19852 159 1 1 . 1 1 35 35 PHE C C 35 174.221 174.221 177.762 -3.541 19852 160 1 1 . 1 1 35 35 PHE CA C 35 49.308 49.308 59.923 -10.615 19852 161 1 1 . 1 1 35 35 PHE CB C 35 41.695 41.695 38.627 3.068 19852 162 1 1 . 1 1 35 35 PHE H H 35 6.772 6.772 8.028 -1.256 19852 163 1 1 . 1 1 36 36 GLU N N 36 124.388 124.388 117.027 7.361 19852 164 1 1 . 1 1 36 36 GLU C C 36 176.859 176.859 175.845 1.014 19852 165 1 1 . 1 1 36 36 GLU CA C 36 58.092 58.092 56.114 1.978 19852 166 1 1 . 1 1 36 36 GLU CB C 36 30.568 30.568 29.728 0.840 19852 167 1 1 . 1 1 36 36 GLU H H 36 7.734 7.734 8.093 -0.359 19852 168 1 1 . 1 1 37 37 LYS N N 37 118.810 118.810 120.046 -1.236 19852 169 1 1 . 1 1 37 37 LYS C C 37 172.756 172.756 176.039 -3.283 19852 170 1 1 . 1 1 37 37 LYS CA C 37 48.137 48.137 56.431 -8.294 19852 171 1 1 . 1 1 37 37 LYS CB C 37 37.010 37.010 32.951 4.059 19852 172 1 1 . 1 1 37 37 LYS H H 37 8.509 8.509 7.274 1.235 19852 173 1 1 . 1 1 38 38 LYS N N 38 108.052 108.052 125.676 -17.624 19852 174 1 1 . 1 1 38 38 LYS C C 38 176.273 176.273 174.572 1.701 19852 175 1 1 . 1 1 38 38 LYS CA C 38 59.849 59.849 55.086 4.763 19852 176 1 1 . 1 1 38 38 LYS CB C 38 34.668 34.668 35.878 -1.210 19852 177 1 1 . 1 1 38 38 LYS H H 38 7.715 7.715 8.462 -0.747 19852 178 1 1 . 1 1 39 39 TYR N N 39 108.650 108.650 126.984 -18.334 19852 179 1 1 . 1 1 39 39 TYR C C 39 175.686 175.686 175.245 0.441 19852 180 1 1 . 1 1 39 39 TYR CA C 39 61.020 61.020 57.032 3.988 19852 181 1 1 . 1 1 39 39 TYR CB C 39 36.424 36.424 39.495 -3.071 19852 182 1 1 . 1 1 39 39 TYR H H 39 7.362 7.362 8.726 -1.364 19852 183 1 1 . 1 1 40 40 VAL N N 40 117.947 117.947 128.659 -10.712 19852 184 1 1 . 1 1 40 40 VAL C C 40 175.393 175.393 175.019 0.374 19852 185 1 1 . 1 1 40 40 VAL CA C 40 61.020 61.020 60.803 0.217 19852 186 1 1 . 1 1 40 40 VAL CB C 40 31.154 31.154 31.957 -0.803 19852 187 1 1 . 1 1 40 40 VAL H H 40 8.442 8.442 8.549 -0.107 19852 188 1 1 . 1 1 42 42 THR N N 42 117.150 117.150 114.416 2.734 19852 189 1 1 . 1 1 42 42 THR C C 42 178.910 178.910 176.363 2.547 19852 190 1 1 . 1 1 42 42 THR CA C 42 60.435 60.435 65.005 -4.570 19852 191 1 1 . 1 1 42 42 THR CB C 42 70.390 70.390 68.492 1.898 19852 192 1 1 . 1 1 42 42 THR H H 42 8.192 8.192 8.091 0.101 19852 193 1 1 . 1 1 43 43 LEU N N 43 119.209 119.209 120.949 -1.740 19852 194 1 1 . 1 1 43 43 LEU C C 43 174.807 174.807 177.325 -2.518 19852 195 1 1 . 1 1 43 43 LEU CA C 43 57.507 57.507 55.699 1.808 19852 196 1 1 . 1 1 43 43 LEU CB C 43 42.866 42.866 42.020 0.846 19852 197 1 1 . 1 1 43 43 LEU H H 43 9.260 9.260 7.933 1.327 19852 198 1 1 . 1 1 44 44 GLY N N 44 114.361 114.361 106.477 7.884 19852 199 1 1 . 1 1 44 44 GLY C C 44 178.910 178.910 173.219 5.691 19852 200 1 1 . 1 1 44 44 GLY CA C 44 54.579 54.579 45.442 9.137 19852 201 1 1 . 1 1 44 44 GLY H H 44 6.979 6.979 8.036 -1.057 19852 202 1 1 . 1 1 45 45 VAL N N 45 110.244 110.244 118.143 -7.899 19852 203 1 1 . 1 1 45 45 VAL C C 45 174.807 174.807 174.114 0.693 19852 204 1 1 . 1 1 45 45 VAL CA C 45 63.363 63.363 60.769 2.594 19852 205 1 1 . 1 1 45 45 VAL CB C 45 17.099 17.099 35.574 -18.475 19852 206 1 1 . 1 1 45 45 VAL H H 45 8.309 8.309 7.124 1.185 19852 207 1 1 . 1 1 46 46 GLU N N 46 130.365 130.365 125.600 4.765 19852 208 1 1 . 1 1 46 46 GLU C C 46 176.859 176.859 175.457 1.402 19852 209 1 1 . 1 1 46 46 GLU CA C 46 55.164 55.164 55.365 -0.201 19852 210 1 1 . 1 1 46 46 GLU CB C 46 32.325 32.325 31.700 0.625 19852 211 1 1 . 1 1 46 46 GLU H H 46 9.741 9.741 9.157 0.584 19852 212 1 1 . 1 1 47 47 VAL N N 47 115.623 115.623 125.866 -10.243 19852 213 1 1 . 1 1 47 47 VAL C C 47 178.324 178.324 175.177 3.147 19852 214 1 1 . 1 1 47 47 VAL CA C 47 63.363 63.363 61.405 1.958 19852 215 1 1 . 1 1 47 47 VAL CB C 47 32.911 32.911 32.462 0.449 19852 216 1 1 . 1 1 47 47 VAL H H 47 7.339 7.339 8.945 -1.606 19852 217 1 1 . 1 1 48 48 HIS N N 48 129.236 129.236 127.535 1.701 19852 218 1 1 . 1 1 48 48 HIS C C 48 169.240 169.240 173.029 -3.789 19852 219 1 1 . 1 1 48 48 HIS CA C 48 49.894 49.894 53.365 -3.471 19852 220 1 1 . 1 1 48 48 HIS CB C 48 27.640 27.640 31.625 -3.985 19852 221 1 1 . 1 1 48 48 HIS H H 48 10.390 10.390 9.502 0.888 19852 222 1 1 . 1 1 49 49 PRO C C 49 176.273 176.273 175.509 0.764 19852 223 1 1 . 1 1 49 49 PRO CA C 49 62.500 62.500 62.932 -0.432 19852 224 1 1 . 1 1 49 49 PRO CB C 49 29.974 29.974 31.509 -1.535 19852 225 1 1 . 1 1 50 50 LEU N N 50 119.408 119.408 129.131 -9.723 19852 226 1 1 . 1 1 50 50 LEU C C 50 177.445 177.445 175.187 2.258 19852 227 1 1 . 1 1 50 50 LEU CA C 50 59.264 59.264 53.985 5.279 19852 228 1 1 . 1 1 50 50 LEU CB C 50 42.281 42.281 42.729 -0.448 19852 229 1 1 . 1 1 50 50 LEU H H 50 7.492 7.492 8.877 -1.385 19852 230 1 1 . 1 1 51 51 VAL N N 51 117.947 117.947 124.688 -6.741 19852 231 1 1 . 1 1 51 51 VAL C C 51 174.514 174.514 174.793 -0.279 19852 232 1 1 . 1 1 51 51 VAL CA C 51 64.534 64.534 61.694 2.840 19852 233 1 1 . 1 1 51 51 VAL CB C 51 37.010 37.010 32.710 4.300 19852 234 1 1 . 1 1 51 51 VAL H H 51 7.715 7.715 7.903 -0.188 19852 235 1 1 . 1 1 52 52 PHE N N 52 124.853 124.853 125.581 -0.728 19852 236 1 1 . 1 1 52 52 PHE C C 52 175.100 175.100 173.831 1.269 19852 237 1 1 . 1 1 52 52 PHE CA C 52 56.336 56.336 55.934 0.402 19852 238 1 1 . 1 1 52 52 PHE CB C 52 39.938 39.938 41.734 -1.796 19852 239 1 1 . 1 1 52 52 PHE H H 52 8.935 8.935 8.798 0.137 19852 240 1 1 . 1 1 53 53 HIS N N 53 120.603 120.603 122.925 -2.322 19852 241 1 1 . 1 1 53 53 HIS C C 53 170.119 170.119 175.001 -4.882 19852 242 1 1 . 1 1 53 53 HIS CA C 53 55.164 55.164 55.310 -0.146 19852 243 1 1 . 1 1 53 53 HIS CB C 53 30.568 30.568 30.804 -0.236 19852 244 1 1 . 1 1 53 53 HIS H H 53 8.356 8.356 8.981 -0.625 19852 245 1 1 . 1 1 54 54 THR N N 54 112.634 112.634 116.342 -3.708 19852 246 1 1 . 1 1 54 54 THR C C 54 178.910 178.910 176.962 1.948 19852 247 1 1 . 1 1 54 54 THR CA C 54 63.363 63.363 59.228 4.135 19852 248 1 1 . 1 1 54 54 THR CB C 54 72.733 72.733 71.655 1.078 19852 249 1 1 . 1 1 54 54 THR H H 54 7.574 7.574 8.467 -0.893 19852 250 1 1 . 1 1 55 55 ASN N N 55 131.095 131.095 120.463 10.632 19852 251 1 1 . 1 1 55 55 ASN C C 55 176.273 176.273 176.673 -0.400 19852 252 1 1 . 1 1 55 55 ASN CA C 55 51.065 51.065 55.854 -4.789 19852 253 1 1 . 1 1 55 55 ASN CB C 55 37.010 37.010 38.179 -1.169 19852 254 1 1 . 1 1 55 55 ASN H H 55 10.187 10.187 8.784 1.403 19852 255 1 1 . 1 1 56 56 ARG N N 56 122.064 122.064 120.029 2.035 19852 256 1 1 . 1 1 56 56 ARG C C 56 175.100 175.100 175.741 -0.641 19852 257 1 1 . 1 1 56 56 ARG CA C 56 61.606 61.606 55.943 5.663 19852 258 1 1 . 1 1 56 56 ARG CB C 56 32.911 32.911 30.867 2.044 19852 259 1 1 . 1 1 56 56 ARG H H 56 7.433 7.433 7.705 -0.272 19852 260 1 1 . 1 1 57 57 GLY N N 57 127.709 127.709 105.896 21.813 19852 261 1 1 . 1 1 57 57 GLY C C 57 175.979 175.979 171.785 4.194 19852 262 1 1 . 1 1 57 57 GLY CA C 57 42.281 42.281 44.221 -1.940 19852 263 1 1 . 1 1 57 57 GLY H H 57 9.373 9.373 7.610 1.763 19852 264 1 1 . 1 1 58 58 PRO C C 58 177.152 177.152 175.790 1.362 19852 265 1 1 . 1 1 58 58 PRO CA C 58 65.137 65.137 63.014 2.123 19852 266 1 1 . 1 1 58 58 PRO CB C 58 29.095 29.095 32.297 -3.202 19852 267 1 1 . 1 1 59 59 ILE N N 59 128.638 128.638 122.442 6.196 19852 268 1 1 . 1 1 59 59 ILE C C 59 175.979 175.979 174.703 1.276 19852 269 1 1 . 1 1 59 59 ILE CA C 59 65.120 65.120 60.225 4.895 19852 270 1 1 . 1 1 59 59 ILE CB C 59 40.524 40.524 41.569 -1.044 19852 271 1 1 . 1 1 59 59 ILE H H 59 8.794 8.794 8.931 -0.137 19852 272 1 1 . 1 1 60 60 LYS N N 60 115.756 115.756 125.370 -9.614 19852 273 1 1 . 1 1 60 60 LYS C C 60 175.979 175.979 175.464 0.515 19852 274 1 1 . 1 1 60 60 LYS CA C 60 56.921 56.921 54.576 2.345 19852 275 1 1 . 1 1 60 60 LYS CB C 60 32.325 32.325 34.728 -2.403 19852 276 1 1 . 1 1 60 60 LYS H H 60 7.253 7.253 8.771 -1.518 19852 277 1 1 . 1 1 61 61 PHE N N 61 120.670 120.670 123.886 -3.216 19852 278 1 1 . 1 1 61 61 PHE C C 61 175.393 175.393 175.236 0.157 19852 279 1 1 . 1 1 61 61 PHE CA C 61 57.507 57.507 56.847 0.660 19852 280 1 1 . 1 1 61 61 PHE CB C 61 41.109 41.109 41.044 0.065 19852 281 1 1 . 1 1 61 61 PHE H H 61 7.515 7.515 9.408 -1.893 19852 282 1 1 . 1 1 62 62 ASN N N 62 119.076 119.076 124.627 -5.551 19852 283 1 1 . 1 1 62 62 ASN C C 62 175.100 175.100 174.628 0.472 19852 284 1 1 . 1 1 62 62 ASN CA C 62 53.407 53.407 53.296 0.111 19852 285 1 1 . 1 1 62 62 ASN CB C 62 38.767 38.767 39.077 -0.310 19852 286 1 1 . 1 1 62 62 ASN H H 62 7.558 7.558 9.382 -1.824 19852 287 1 1 . 1 1 63 63 VAL N N 63 106.127 106.127 125.440 -19.313 19852 288 1 1 . 1 1 63 63 VAL C C 63 175.100 175.100 175.731 -0.631 19852 289 1 1 . 1 1 63 63 VAL CA C 63 61.020 61.020 62.745 -1.725 19852 290 1 1 . 1 1 63 63 VAL CB C 63 31.154 31.154 32.453 -1.299 19852 291 1 1 . 1 1 63 63 VAL H H 63 8.113 8.113 9.179 -1.066 19852 292 1 1 . 1 1 64 64 TRP N N 64 129.302 129.302 129.869 -0.567 19852 293 1 1 . 1 1 64 64 TRP C C 64 177.152 177.152 175.778 1.374 19852 294 1 1 . 1 1 64 64 TRP CA C 64 59.264 59.264 54.919 4.345 19852 295 1 1 . 1 1 64 64 TRP CB C 64 29.397 29.397 29.498 -0.101 19852 296 1 1 . 1 1 64 64 TRP H H 64 8.970 8.970 9.556 -0.586 19852 297 1 1 . 1 1 65 65 ASP N N 65 119.607 119.607 123.692 -4.085 19852 298 1 1 . 1 1 65 65 ASP C C 65 174.514 174.514 176.023 -1.509 19852 299 1 1 . 1 1 65 65 ASP CA C 65 55.164 55.164 52.743 2.421 19852 300 1 1 . 1 1 65 65 ASP CB C 65 41.109 41.109 44.895 -3.787 19852 301 1 1 . 1 1 65 65 ASP H H 65 8.638 8.638 9.299 -0.661 19852 302 1 1 . 1 1 66 66 THR N N 66 122.463 122.463 115.591 6.872 19852 303 1 1 . 1 1 66 66 THR C C 66 178.617 178.617 174.648 3.969 19852 304 1 1 . 1 1 66 66 THR CA C 66 68.048 68.048 61.534 6.514 19852 305 1 1 . 1 1 66 66 THR CB C 66 71.562 71.562 69.988 1.574 19852 306 1 1 . 1 1 66 66 THR H H 66 8.293 8.293 8.433 -0.140 19852 307 1 1 . 1 1 67 67 ALA N N 67 104.865 104.865 124.246 -19.381 19852 308 1 1 . 1 1 67 67 ALA C C 67 177.738 177.738 177.773 -0.035 19852 309 1 1 . 1 1 67 67 ALA CA C 67 48.722 48.722 51.681 -2.958 19852 310 1 1 . 1 1 67 67 ALA CB C 67 14.171 14.171 19.107 -4.936 19852 311 1 1 . 1 1 67 67 ALA H H 67 8.657 8.657 8.141 0.516 19852 312 1 1 . 1 1 68 68 GLY N N 68 115.357 115.357 107.637 7.720 19852 313 1 1 . 1 1 68 68 GLY C C 68 189.533 189.533 175.980 13.553 19852 314 1 1 . 1 1 68 68 GLY CA C 68 45.209 45.209 45.317 -0.108 19852 315 1 1 . 1 1 68 68 GLY H H 68 10.969 10.969 7.649 3.320 19852 316 1 1 . 1 1 69 69 GLN N N 69 110.111 110.111 119.371 -9.260 19852 317 1 1 . 1 1 69 69 GLN C C 69 176.859 176.859 176.849 0.010 19852 318 1 1 . 1 1 69 69 GLN CA C 69 55.750 55.750 58.511 -2.761 19852 319 1 1 . 1 1 69 69 GLN CB C 69 27.640 27.640 27.991 -0.351 19852 320 1 1 . 1 1 69 69 GLN H H 69 8.344 8.344 8.547 -0.203 19852 321 1 1 . 1 1 70 70 GLU N N 70 114.826 114.826 116.885 -2.059 19852 322 1 1 . 1 1 70 70 GLU C C 70 176.273 176.273 177.424 -1.151 19852 323 1 1 . 1 1 70 70 GLU CA C 70 57.507 57.507 58.334 -0.827 19852 324 1 1 . 1 1 70 70 GLU CB C 70 28.811 28.811 29.241 -0.430 19852 325 1 1 . 1 1 70 70 GLU H H 70 9.651 9.651 8.393 1.258 19852 326 1 1 . 1 1 71 71 LYS N N 71 116.685 116.685 117.503 -0.818 19852 327 1 1 . 1 1 71 71 LYS C C 71 175.979 175.979 178.418 -2.439 19852 328 1 1 . 1 1 71 71 LYS CA C 71 48.722 48.722 58.346 -9.624 19852 329 1 1 . 1 1 71 71 LYS CB C 71 37.010 37.010 32.779 4.231 19852 330 1 1 . 1 1 71 71 LYS H H 71 8.712 8.712 7.514 1.198 19852 331 1 1 . 1 1 72 72 PHE N N 72 114.959 114.959 114.525 0.434 19852 332 1 1 . 1 1 72 72 PHE C C 72 175.686 175.686 176.140 -0.454 19852 333 1 1 . 1 1 72 72 PHE CA C 72 56.336 56.336 57.433 -1.097 19852 334 1 1 . 1 1 72 72 PHE CB C 72 36.424 36.424 39.835 -3.411 19852 335 1 1 . 1 1 72 72 PHE H H 72 7.965 7.965 7.322 0.643 19852 336 1 1 . 1 1 73 73 GLY N N 73 117.084 117.084 107.571 9.513 19852 337 1 1 . 1 1 73 73 GLY C C 73 168.068 168.068 172.366 -4.298 19852 338 1 1 . 1 1 73 73 GLY CA C 73 42.281 42.281 45.154 -2.873 19852 339 1 1 . 1 1 73 73 GLY H H 73 7.609 7.609 7.381 0.228 19852 340 1 1 . 1 1 74 74 GLY N N 74 120.537 120.537 105.842 14.695 19852 341 1 1 . 1 1 74 74 GLY C C 74 174.514 174.514 174.169 0.345 19852 342 1 1 . 1 1 74 74 GLY CA C 74 44.037 44.037 44.037 0.000 19852 343 1 1 . 1 1 74 74 GLY H H 74 9.326 9.326 8.323 1.003 19852 344 1 1 . 1 1 75 75 LEU N N 75 127.177 127.177 120.405 6.772 19852 345 1 1 . 1 1 75 75 LEU C C 75 178.617 178.617 177.499 1.118 19852 346 1 1 . 1 1 75 75 LEU CA C 75 53.407 53.407 54.060 -0.653 19852 347 1 1 . 1 1 75 75 LEU CB C 75 42.281 42.281 43.312 -1.031 19852 348 1 1 . 1 1 75 75 LEU H H 75 7.628 7.628 8.702 -1.074 19852 349 1 1 . 1 1 76 76 ARG N N 76 116.486 116.486 122.240 -5.754 19852 350 1 1 . 1 1 76 76 ARG C C 76 176.859 176.859 177.195 -0.336 19852 351 1 1 . 1 1 76 76 ARG CA C 76 59.264 59.264 56.297 2.967 19852 352 1 1 . 1 1 76 76 ARG CB C 76 31.154 31.154 31.110 0.044 19852 353 1 1 . 1 1 76 76 ARG H H 76 7.143 7.143 8.559 -1.416 19852 354 1 1 . 1 1 77 77 ASP N N 77 129.236 129.236 121.831 7.405 19852 355 1 1 . 1 1 77 77 ASP C C 77 177.152 177.152 178.547 -1.395 19852 356 1 1 . 1 1 77 77 ASP CA C 77 52.822 52.822 58.098 -5.276 19852 357 1 1 . 1 1 77 77 ASP CB C 77 41.695 41.695 40.606 1.089 19852 358 1 1 . 1 1 77 77 ASP H H 77 8.947 8.947 8.940 0.007 19852 359 1 1 . 1 1 78 78 GLY N N 78 127.244 127.244 108.047 19.197 19852 360 1 1 . 1 1 78 78 GLY C C 78 173.928 173.928 175.246 -1.318 19852 361 1 1 . 1 1 78 78 GLY CA C 78 44.623 44.623 46.932 -2.309 19852 362 1 1 . 1 1 78 78 GLY H H 78 8.219 8.219 8.667 -0.448 19852 363 1 1 . 1 1 79 79 TYR N N 79 120.537 120.537 122.115 -1.578 19852 364 1 1 . 1 1 79 79 TYR C C 79 176.273 176.273 176.920 -0.647 19852 365 1 1 . 1 1 79 79 TYR CA C 79 58.678 58.678 61.023 -2.345 19852 366 1 1 . 1 1 79 79 TYR CB C 79 40.524 40.524 38.712 1.812 19852 367 1 1 . 1 1 79 79 TYR H H 79 8.563 8.563 7.564 0.999 19852 368 1 1 . 1 1 80 80 TYR N N 80 115.822 115.822 115.399 0.423 19852 369 1 1 . 1 1 80 80 TYR C C 80 175.979 175.979 176.792 -0.813 19852 370 1 1 . 1 1 80 80 TYR CA C 80 58.092 58.092 60.540 -2.448 19852 371 1 1 . 1 1 80 80 TYR CB C 80 38.181 38.181 38.580 -0.399 19852 372 1 1 . 1 1 80 80 TYR H H 80 7.194 7.194 7.399 -0.205 19852 373 1 1 . 1 1 81 81 ILE N N 81 120.072 120.072 118.538 1.534 19852 374 1 1 . 1 1 81 81 ILE C C 81 177.445 177.445 175.914 1.531 19852 375 1 1 . 1 1 81 81 ILE CA C 81 67.462 67.462 63.710 3.752 19852 376 1 1 . 1 1 81 81 ILE CB C 81 41.109 41.109 37.877 3.232 19852 377 1 1 . 1 1 81 81 ILE H H 81 8.837 8.837 8.010 0.827 19852 378 1 1 . 1 1 82 82 GLN N N 82 109.580 109.580 118.837 -9.257 19852 379 1 1 . 1 1 82 82 GLN C C 82 177.152 177.152 174.456 2.696 19852 380 1 1 . 1 1 82 82 GLN CA C 82 56.336 56.336 56.415 -0.079 19852 381 1 1 . 1 1 82 82 GLN CB C 82 24.126 24.126 26.360 -2.234 19852 382 1 1 . 1 1 82 82 GLN H H 82 8.493 8.493 8.720 -0.227 19852 383 1 1 . 1 1 83 83 ALA N N 83 109.713 109.713 120.318 -10.605 19852 384 1 1 . 1 1 83 83 ALA C C 83 175.979 175.979 176.857 -0.878 19852 385 1 1 . 1 1 83 83 ALA CA C 83 54.579 54.579 52.626 1.953 19852 386 1 1 . 1 1 83 83 ALA CB C 83 16.513 16.513 19.405 -2.892 19852 387 1 1 . 1 1 83 83 ALA H H 83 6.306 6.306 7.332 -1.026 19852 388 1 1 . 1 1 84 84 GLN N N 84 131.380 131.380 123.175 8.205 19852 389 1 1 . 1 1 84 84 GLN C C 84 175.686 175.686 176.019 -0.333 19852 390 1 1 . 1 1 84 84 GLN CA C 84 51.065 51.065 57.953 -6.888 19852 391 1 1 . 1 1 84 84 GLN CB C 84 32.325 32.325 30.737 1.588 19852 392 1 1 . 1 1 84 84 GLN H H 84 11.169 11.169 8.473 2.696 19852 393 1 1 . 1 1 85 85 CYS N N 85 124.322 124.322 111.578 12.744 19852 394 1 1 . 1 1 85 85 CYS C C 85 173.049 173.049 172.723 0.326 19852 395 1 1 . 1 1 85 85 CYS CA C 85 57.507 57.507 55.893 1.614 19852 396 1 1 . 1 1 85 85 CYS CB C 85 35.253 35.253 31.869 3.384 19852 397 1 1 . 1 1 85 85 CYS H H 85 8.602 8.602 7.932 0.670 19852 398 1 1 . 1 1 86 86 ALA N N 86 114.295 114.295 121.673 -7.378 19852 399 1 1 . 1 1 86 86 ALA CA C 86 57.507 57.507 50.831 6.676 19852 400 1 1 . 1 1 86 86 ALA CB C 86 21.784 21.784 22.742 -0.958 19852 401 1 1 . 1 1 86 86 ALA H H 86 6.897 6.897 8.846 -1.949 19852 402 1 1 . 1 1 87 87 ILE N N 87 120.670 120.670 120.800 -0.130 19852 403 1 1 . 1 1 87 87 ILE C C 87 173.928 173.928 174.711 -0.783 19852 404 1 1 . 1 1 87 87 ILE CA C 87 61.020 61.020 59.918 1.102 19852 405 1 1 . 1 1 87 87 ILE CB C 87 39.938 39.938 41.369 -1.431 19852 406 1 1 . 1 1 87 87 ILE H H 87 8.282 8.282 8.635 -0.353 19852 407 1 1 . 1 1 88 88 ILE N N 88 120.205 120.205 127.210 -7.005 19852 408 1 1 . 1 1 88 88 ILE C C 88 173.635 173.635 175.105 -1.470 19852 409 1 1 . 1 1 88 88 ILE CA C 88 64.534 64.534 60.013 4.521 19852 410 1 1 . 1 1 88 88 ILE CB C 88 37.596 37.596 40.024 -2.428 19852 411 1 1 . 1 1 88 88 ILE H H 88 5.528 5.528 8.890 -3.362 19852 412 1 1 . 1 1 89 89 MET N N 89 119.209 119.209 126.030 -6.821 19852 413 1 1 . 1 1 89 89 MET C C 89 176.566 176.566 175.585 0.981 19852 414 1 1 . 1 1 89 89 MET CA C 89 56.921 56.921 54.240 2.681 19852 415 1 1 . 1 1 89 89 MET CB C 89 34.668 34.668 35.100 -0.432 19852 416 1 1 . 1 1 89 89 MET H H 89 8.164 8.164 8.875 -0.711 19852 417 1 1 . 1 1 90 90 PHE N N 90 121.134 121.134 119.472 1.662 19852 418 1 1 . 1 1 90 90 PHE C C 90 175.393 175.393 173.108 2.285 19852 419 1 1 . 1 1 90 90 PHE CA C 90 60.435 60.435 55.132 5.303 19852 420 1 1 . 1 1 90 90 PHE CB C 90 38.767 38.767 42.204 -3.437 19852 421 1 1 . 1 1 90 90 PHE H H 90 9.334 9.334 8.864 0.470 19852 422 1 1 . 1 1 91 91 ASP N N 91 125.185 125.185 120.674 4.511 19852 423 1 1 . 1 1 91 91 ASP C C 91 176.566 176.566 178.270 -1.704 19852 424 1 1 . 1 1 91 91 ASP CA C 91 52.822 52.822 51.711 1.111 19852 425 1 1 . 1 1 91 91 ASP CB C 91 39.938 39.938 43.079 -3.141 19852 426 1 1 . 1 1 91 91 ASP H H 91 9.056 9.056 8.621 0.435 19852 427 1 1 . 1 1 92 92 VAL N N 92 115.158 115.158 123.545 -8.387 19852 428 1 1 . 1 1 92 92 VAL C C 92 173.342 173.342 176.584 -3.242 19852 429 1 1 . 1 1 92 92 VAL CA C 92 64.534 64.534 64.868 -0.334 19852 430 1 1 . 1 1 92 92 VAL CB C 92 37.596 37.596 31.284 6.312 19852 431 1 1 . 1 1 92 92 VAL H H 92 7.738 7.738 8.616 -0.878 19852 432 1 1 . 1 1 93 93 THR N N 93 112.302 112.302 110.559 1.743 19852 433 1 1 . 1 1 93 93 THR C C 93 177.152 177.152 174.987 2.165 19852 434 1 1 . 1 1 93 93 THR CA C 93 64.534 64.534 62.841 1.693 19852 435 1 1 . 1 1 93 93 THR CB C 93 72.147 72.147 69.380 2.767 19852 436 1 1 . 1 1 93 93 THR H H 93 7.269 7.269 8.351 -1.082 19852 437 1 1 . 1 1 94 94 SER N N 94 122.263 122.263 117.854 4.409 19852 438 1 1 . 1 1 94 94 SER C C 94 163.965 163.965 174.408 -10.443 19852 439 1 1 . 1 1 94 94 SER CA C 94 59.849 59.849 57.141 2.708 19852 440 1 1 . 1 1 94 94 SER CB C 94 62.192 62.192 65.135 -2.943 19852 441 1 1 . 1 1 94 94 SER H H 94 7.628 7.628 7.873 -0.245 19852 442 1 1 . 1 1 95 95 ARG N N 95 113.099 113.099 126.523 -13.424 19852 443 1 1 . 1 1 95 95 ARG C C 95 176.273 176.273 177.705 -1.432 19852 444 1 1 . 1 1 95 95 ARG CA C 95 53.407 53.407 60.187 -6.780 19852 445 1 1 . 1 1 95 95 ARG CB C 95 31.154 31.154 29.857 1.297 19852 446 1 1 . 1 1 95 95 ARG H H 95 8.102 8.102 8.990 -0.888 19852 447 1 1 . 1 1 96 96 VAL N N 96 124.787 124.787 116.949 7.838 19852 448 1 1 . 1 1 96 96 VAL C C 96 178.031 178.031 177.544 0.487 19852 449 1 1 . 1 1 96 96 VAL CA C 96 68.634 68.634 66.884 1.750 19852 450 1 1 . 1 1 96 96 VAL CB C 96 24.126 24.126 31.196 -7.070 19852 451 1 1 . 1 1 96 96 VAL H H 96 9.146 9.146 8.343 0.803 19852 452 1 1 . 1 1 97 97 THR N N 97 111.970 111.970 112.570 -0.600 19852 453 1 1 . 1 1 97 97 THR C C 97 178.031 178.031 175.599 2.432 19852 454 1 1 . 1 1 97 97 THR CA C 97 63.949 63.949 65.432 -1.483 19852 455 1 1 . 1 1 97 97 THR CB C 97 70.390 70.390 68.868 1.522 19852 456 1 1 . 1 1 97 97 THR H H 97 7.984 7.984 7.649 0.335 19852 457 1 1 . 1 1 98 98 TYR N N 98 113.232 113.232 121.999 -8.767 19852 458 1 1 . 1 1 98 98 TYR C C 98 176.273 176.273 177.664 -1.391 19852 459 1 1 . 1 1 98 98 TYR H H 98 7.605 7.605 7.569 0.036 19852 460 1 1 . 1 1 99 99 LYS N N 99 121.998 121.998 118.721 3.277 19852 461 1 1 . 1 1 99 99 LYS C C 99 174.221 174.221 178.170 -3.949 19852 462 1 1 . 1 1 99 99 LYS CA C 99 59.264 59.264 59.322 -0.058 19852 463 1 1 . 1 1 99 99 LYS CB C 99 34.668 34.668 32.092 2.576 19852 464 1 1 . 1 1 99 99 LYS H H 99 8.129 8.129 7.828 0.301 19852 465 1 1 . 1 1 100 100 ASN N N 100 111.970 111.970 115.708 -3.738 19852 466 1 1 . 1 1 100 100 ASN C C 100 175.979 175.979 176.319 -0.340 19852 467 1 1 . 1 1 100 100 ASN CA C 100 53.407 53.407 53.922 -0.515 19852 468 1 1 . 1 1 100 100 ASN CB C 100 37.596 37.596 38.296 -0.700 19852 469 1 1 . 1 1 100 100 ASN H H 100 5.778 5.778 7.811 -2.033 19852 470 1 1 . 1 1 101 101 VAL N N 101 118.877 118.877 122.050 -3.173 19852 471 1 1 . 1 1 101 101 VAL C C 101 173.635 173.635 174.948 -1.313 19852 472 1 1 . 1 1 101 101 VAL CA C 101 62.777 62.777 68.247 -5.470 19852 473 1 1 . 1 1 101 101 VAL CB C 101 27.054 27.054 29.260 -2.206 19852 474 1 1 . 1 1 101 101 VAL H H 101 7.370 7.370 7.397 -0.027 19852 475 1 1 . 1 1 102 102 PRO C C 102 176.566 176.566 178.427 -1.861 19852 476 1 1 . 1 1 102 102 PRO CA C 102 62.500 62.500 66.408 -3.908 19852 477 1 1 . 1 1 102 102 PRO CB C 102 30.853 30.853 31.042 -0.189 19852 478 1 1 . 1 1 103 103 ASN N N 103 122.728 122.728 116.846 5.882 19852 479 1 1 . 1 1 103 103 ASN C C 103 175.100 175.100 177.483 -2.383 19852 480 1 1 . 1 1 103 103 ASN CA C 103 54.579 54.579 55.950 -1.371 19852 481 1 1 . 1 1 103 103 ASN CB C 103 38.767 38.767 37.605 1.161 19852 482 1 1 . 1 1 103 103 ASN H H 103 7.879 7.879 7.528 0.351 19852 483 1 1 . 1 1 104 104 TRP N N 104 132.158 132.158 120.880 11.278 19852 484 1 1 . 1 1 104 104 TRP C C 104 176.273 176.273 178.934 -2.661 19852 485 1 1 . 1 1 104 104 TRP CA C 104 60.435 60.435 60.919 -0.484 19852 486 1 1 . 1 1 104 104 TRP CB C 104 29.983 29.983 29.313 0.670 19852 487 1 1 . 1 1 104 104 TRP H H 104 9.541 9.541 7.797 1.744 19852 488 1 1 . 1 1 105 105 HIS N N 105 120.869 120.869 118.745 2.124 19852 489 1 1 . 1 1 105 105 HIS C C 105 177.738 177.738 177.567 0.171 19852 490 1 1 . 1 1 105 105 HIS H H 105 6.971 6.971 8.584 -1.613 19852 491 1 1 . 1 1 106 106 ARG N N 106 126.314 126.314 118.841 7.473 19852 492 1 1 . 1 1 106 106 ARG C C 106 176.566 176.566 178.754 -2.188 19852 493 1 1 . 1 1 106 106 ARG CA C 106 62.777 62.777 59.990 2.787 19852 494 1 1 . 1 1 106 106 ARG CB C 106 29.397 29.397 30.064 -0.667 19852 495 1 1 . 1 1 106 106 ARG H H 106 7.507 7.507 8.320 -0.813 19852 496 1 1 . 1 1 107 107 ASP N N 107 119.076 119.076 120.080 -1.004 19852 497 1 1 . 1 1 107 107 ASP C C 107 176.566 176.566 178.387 -1.821 19852 498 1 1 . 1 1 107 107 ASP CA C 107 55.164 55.164 57.007 -1.843 19852 499 1 1 . 1 1 107 107 ASP CB C 107 41.695 41.695 40.422 1.274 19852 500 1 1 . 1 1 107 107 ASP H H 107 9.076 9.076 7.922 1.154 19852 501 1 1 . 1 1 108 108 LEU N N 108 113.299 113.299 120.757 -7.458 19852 502 1 1 . 1 1 108 108 LEU C C 108 176.273 176.273 178.258 -1.985 19852 503 1 1 . 1 1 108 108 LEU CA C 108 59.264 59.264 57.700 1.564 19852 504 1 1 . 1 1 108 108 LEU CB C 108 48.722 48.722 41.909 6.813 19852 505 1 1 . 1 1 108 108 LEU H H 108 6.725 6.725 7.872 -1.147 19852 506 1 1 . 1 1 109 109 VAL N N 109 121.267 121.267 115.483 5.784 19852 507 1 1 . 1 1 109 109 VAL C C 109 175.393 175.393 177.708 -2.315 19852 508 1 1 . 1 1 109 109 VAL CA C 109 63.949 63.949 64.534 -0.585 19852 509 1 1 . 1 1 109 109 VAL CB C 109 32.911 32.911 31.172 1.738 19852 510 1 1 . 1 1 109 109 VAL H H 109 8.763 8.763 7.971 0.792 19852 511 1 1 . 1 1 110 110 ARG N N 110 112.900 112.900 118.766 -5.866 19852 512 1 1 . 1 1 110 110 ARG C C 110 176.273 176.273 178.183 -1.910 19852 513 1 1 . 1 1 110 110 ARG CA C 110 57.507 57.507 58.897 -1.390 19852 514 1 1 . 1 1 110 110 ARG CB C 110 30.568 30.568 30.209 0.359 19852 515 1 1 . 1 1 110 110 ARG H H 110 7.241 7.241 7.536 -0.295 19852 516 1 1 . 1 1 111 111 VAL N N 111 115.556 115.556 116.867 -1.311 19852 517 1 1 . 1 1 111 111 VAL C C 111 177.445 177.445 176.376 1.069 19852 518 1 1 . 1 1 111 111 VAL CA C 111 59.849 59.849 65.310 -5.461 19852 519 1 1 . 1 1 111 111 VAL CB C 111 32.911 32.911 32.563 0.348 19852 520 1 1 . 1 1 111 111 VAL H H 111 7.566 7.566 7.397 0.169 19852 521 1 1 . 1 1 112 112 CYS N N 112 114.295 114.295 119.993 -5.698 19852 522 1 1 . 1 1 112 112 CYS C C 112 169.826 169.826 173.427 -3.601 19852 523 1 1 . 1 1 112 112 CYS CA C 112 57.507 57.507 57.879 -0.372 19852 524 1 1 . 1 1 112 112 CYS CB C 112 35.839 35.839 28.823 7.016 19852 525 1 1 . 1 1 112 112 CYS H H 112 7.425 7.425 8.214 -0.789 19852 526 1 1 . 1 1 113 113 GLU N N 113 116.486 116.486 126.351 -9.865 19852 527 1 1 . 1 1 113 113 GLU C C 113 176.566 176.566 175.752 0.814 19852 528 1 1 . 1 1 113 113 GLU CA C 113 69.219 69.219 56.888 12.331 19852 529 1 1 . 1 1 113 113 GLU CB C 113 30.568 30.568 30.232 0.337 19852 530 1 1 . 1 1 113 113 GLU H H 113 7.241 7.241 8.690 -1.449 19852 531 1 1 . 1 1 114 114 ASN N N 114 129.302 129.302 116.600 12.702 19852 532 1 1 . 1 1 114 114 ASN C C 114 175.100 175.100 174.856 0.244 19852 533 1 1 . 1 1 114 114 ASN CA C 114 52.236 52.236 54.100 -1.864 19852 534 1 1 . 1 1 114 114 ASN CB C 114 39.938 39.938 37.220 2.718 19852 535 1 1 . 1 1 114 114 ASN H H 114 8.919 8.919 8.597 0.322 19852 536 1 1 . 1 1 115 115 ILE N N 115 110.443 110.443 115.692 -5.249 19852 537 1 1 . 1 1 115 115 ILE C C 115 175.100 175.100 173.792 1.308 19852 538 1 1 . 1 1 115 115 ILE CA C 115 65.705 65.705 58.222 7.483 19852 539 1 1 . 1 1 115 115 ILE CB C 115 39.353 39.353 38.598 0.755 19852 540 1 1 . 1 1 115 115 ILE H H 115 9.287 9.287 7.516 1.771 19852 541 1 1 . 1 1 116 116 PRO C C 116 175.979 175.979 175.623 0.356 19852 542 1 1 . 1 1 116 116 PRO CA C 116 63.086 63.086 63.267 -0.182 19852 543 1 1 . 1 1 116 116 PRO CB C 116 29.681 29.681 32.255 -2.574 19852 544 1 1 . 1 1 117 117 ILE N N 117 123.591 123.591 123.598 -0.007 19852 545 1 1 . 1 1 117 117 ILE C C 117 174.807 174.807 175.079 -0.272 19852 546 1 1 . 1 1 117 117 ILE CA C 117 66.291 66.291 60.302 5.989 19852 547 1 1 . 1 1 117 117 ILE CB C 117 38.767 38.767 42.410 -3.643 19852 548 1 1 . 1 1 117 117 ILE H H 117 7.781 7.781 8.568 -0.787 19852 549 1 1 . 1 1 118 118 VAL N N 118 119.009 119.009 125.445 -6.436 19852 550 1 1 . 1 1 118 118 VAL C C 118 178.324 178.324 174.701 3.623 19852 551 1 1 . 1 1 118 118 VAL CA C 118 62.777 62.777 60.884 1.893 19852 552 1 1 . 1 1 118 118 VAL CB C 118 31.154 31.154 34.179 -3.025 19852 553 1 1 . 1 1 118 118 VAL H H 118 8.767 8.767 8.657 0.110 19852 554 1 1 . 1 1 119 119 LEU N N 119 119.408 119.408 126.344 -6.936 19852 555 1 1 . 1 1 119 119 LEU C C 119 178.031 178.031 176.242 1.789 19852 556 1 1 . 1 1 119 119 LEU CA C 119 42.866 42.866 53.507 -10.641 19852 557 1 1 . 1 1 119 119 LEU CB C 119 38.767 38.767 44.063 -5.296 19852 558 1 1 . 1 1 119 119 LEU H H 119 7.734 7.734 9.170 -1.436 19852 559 1 1 . 1 1 120 120 CYS N N 120 113.232 113.232 121.385 -8.153 19852 560 1 1 . 1 1 120 120 CYS C C 120 178.031 178.031 174.257 3.774 19852 561 1 1 . 1 1 120 120 CYS H H 120 8.317 8.317 9.120 -0.803 19852 562 1 1 . 1 1 121 121 GLY N N 121 117.349 117.349 112.112 5.237 19852 563 1 1 . 1 1 121 121 GLY C C 121 176.851 176.851 172.748 4.103 19852 564 1 1 . 1 1 121 121 GLY CA C 121 41.109 41.109 43.381 -2.272 19852 565 1 1 . 1 1 121 121 GLY H H 121 7.515 7.515 8.633 -1.118 19852 566 1 1 . 1 1 122 122 ASN N N 122 125.318 125.318 124.393 0.925 19852 567 1 1 . 1 1 122 122 ASN C C 122 175.686 175.686 175.753 -0.067 19852 568 1 1 . 1 1 122 122 ASN CA C 122 50.479 50.479 50.734 -0.255 19852 569 1 1 . 1 1 122 122 ASN CB C 122 39.353 39.353 40.254 -0.901 19852 570 1 1 . 1 1 122 122 ASN H H 122 9.162 9.162 8.650 0.512 19852 571 1 1 . 1 1 123 123 LYS N N 123 124.920 124.920 114.261 10.659 19852 572 1 1 . 1 1 123 123 LYS C C 123 176.566 176.566 176.833 -0.267 19852 573 1 1 . 1 1 123 123 LYS CA C 123 70.976 70.976 57.717 13.259 19852 574 1 1 . 1 1 123 123 LYS CB C 123 35.253 35.253 30.398 4.855 19852 575 1 1 . 1 1 123 123 LYS H H 123 8.086 8.086 8.615 -0.529 19852 576 1 1 . 1 1 124 124 VAL N N 124 125.517 125.517 112.694 12.823 19852 577 1 1 . 1 1 124 124 VAL C C 124 177.738 177.738 176.083 1.655 19852 578 1 1 . 1 1 124 124 VAL CA C 124 62.777 62.777 63.849 -1.072 19852 579 1 1 . 1 1 124 124 VAL CB C 124 33.496 33.496 31.361 2.135 19852 580 1 1 . 1 1 124 124 VAL H H 124 9.483 9.483 7.686 1.797 19852 581 1 1 . 1 1 125 125 ASP N N 125 119.607 119.607 119.436 0.171 19852 582 1 1 . 1 1 125 125 ASP C C 125 176.566 176.566 177.023 -0.457 19852 583 1 1 . 1 1 125 125 ASP CA C 125 55.750 55.750 56.481 -0.731 19852 584 1 1 . 1 1 125 125 ASP CB C 125 40.524 40.524 40.805 -0.281 19852 585 1 1 . 1 1 125 125 ASP H H 125 7.875 7.875 7.739 0.136 19852 586 1 1 . 1 1 126 126 ILE N N 126 116.088 116.088 120.665 -4.577 19852 587 1 1 . 1 1 126 126 ILE C C 126 177.152 177.152 176.590 0.562 19852 588 1 1 . 1 1 126 126 ILE CA C 126 66.291 66.291 61.759 4.532 19852 589 1 1 . 1 1 126 126 ILE CB C 126 39.353 39.353 38.284 1.069 19852 590 1 1 . 1 1 126 126 ILE H H 126 7.511 7.511 7.479 0.032 19852 591 1 1 . 1 1 127 127 LYS N N 127 117.681 117.681 124.408 -6.727 19852 592 1 1 . 1 1 127 127 LYS C C 127 177.152 177.152 177.088 0.064 19852 593 1 1 . 1 1 127 127 LYS CA C 127 57.507 57.507 58.413 -0.906 19852 594 1 1 . 1 1 127 127 LYS CB C 127 31.154 31.154 32.714 -1.560 19852 595 1 1 . 1 1 127 127 LYS H H 127 8.059 8.059 8.407 -0.348 19852 596 1 1 . 1 1 128 128 ASP N N 128 118.279 118.279 119.397 -1.118 19852 597 1 1 . 1 1 128 128 ASP C C 128 176.566 176.566 175.066 1.500 19852 598 1 1 . 1 1 128 128 ASP CA C 128 53.407 53.407 53.093 0.314 19852 599 1 1 . 1 1 128 128 ASP CB C 128 40.524 40.524 40.083 0.441 19852 600 1 1 . 1 1 128 128 ASP H H 128 7.241 7.241 8.065 -0.824 19852 601 1 1 . 1 1 129 129 ARG N N 129 118.943 118.943 125.842 -6.899 19852 602 1 1 . 1 1 129 129 ARG C C 129 177.738 177.738 175.527 2.211 19852 603 1 1 . 1 1 129 129 ARG CA C 129 45.794 45.794 56.160 -10.366 19852 604 1 1 . 1 1 129 129 ARG CB C 129 31.154 31.154 30.760 0.394 19852 605 1 1 . 1 1 129 129 ARG H H 129 8.423 8.423 7.965 0.458 19852 606 1 1 . 1 1 130 130 LYS N N 130 109.381 109.381 124.047 -14.666 19852 607 1 1 . 1 1 130 130 LYS C C 130 176.566 176.566 176.843 -0.277 19852 608 1 1 . 1 1 130 130 LYS CA C 130 55.164 55.164 57.428 -2.264 19852 609 1 1 . 1 1 130 130 LYS CB C 130 36.424 36.424 33.536 2.888 19852 610 1 1 . 1 1 130 130 LYS H H 130 7.296 7.296 8.405 -1.109 19852 611 1 1 . 1 1 131 131 VAL N N 131 110.377 110.377 121.849 -11.472 19852 612 1 1 . 1 1 131 131 VAL C C 131 178.617 178.617 174.743 3.874 19852 613 1 1 . 1 1 131 131 VAL CA C 131 65.705 65.705 61.948 3.757 19852 614 1 1 . 1 1 131 131 VAL CB C 131 35.839 35.839 31.465 4.374 19852 615 1 1 . 1 1 131 131 VAL H H 131 9.283 9.283 8.163 1.120 19852 616 1 1 . 1 1 132 132 LYS N N 132 110.310 110.310 127.188 -16.878 19852 617 1 1 . 1 1 132 132 LYS C C 132 176.273 176.273 177.868 -1.595 19852 618 1 1 . 1 1 132 132 LYS CA C 132 59.849 59.849 54.590 5.259 19852 619 1 1 . 1 1 132 132 LYS CB C 132 35.253 35.253 34.267 0.986 19852 620 1 1 . 1 1 132 132 LYS H H 132 9.709 9.709 7.729 1.980 19852 621 1 1 . 1 1 133 133 ALA N N 133 134.349 134.349 124.476 9.873 19852 622 1 1 . 1 1 133 133 ALA CA C 133 51.065 51.065 55.474 -4.409 19852 623 1 1 . 1 1 133 133 ALA CB C 133 12.999 12.999 18.091 -5.092 19852 624 1 1 . 1 1 133 133 ALA H H 133 6.322 6.322 8.873 -2.551 19852 625 1 1 . 1 1 134 134 LYS N N 134 117.615 117.615 117.841 -0.226 19852 626 1 1 . 1 1 134 134 LYS C C 134 176.859 176.859 178.949 -2.090 19852 627 1 1 . 1 1 134 134 LYS CA C 134 55.750 55.750 59.372 -3.622 19852 628 1 1 . 1 1 134 134 LYS CB C 134 54.579 54.579 32.229 22.350 19852 629 1 1 . 1 1 134 134 LYS H H 134 6.549 6.549 8.608 -2.059 19852 630 1 1 . 1 1 135 135 SER N N 135 109.314 109.314 111.648 -2.334 19852 631 1 1 . 1 1 135 135 SER C C 135 173.635 173.635 174.196 -0.561 19852 632 1 1 . 1 1 135 135 SER CA C 135 56.336 56.336 57.488 -1.152 19852 633 1 1 . 1 1 135 135 SER CB C 135 63.949 63.949 63.993 -0.044 19852 634 1 1 . 1 1 135 135 SER H H 135 7.840 7.840 7.780 0.060 19852 635 1 1 . 1 1 136 136 ILE N N 136 124.123 124.123 124.446 -0.323 19852 636 1 1 . 1 1 136 136 ILE C C 136 175.100 175.100 174.448 0.652 19852 637 1 1 . 1 1 136 136 ILE CA C 136 68.634 68.634 61.709 6.925 19852 638 1 1 . 1 1 136 136 ILE CB C 136 43.452 43.452 36.526 6.926 19852 639 1 1 . 1 1 136 136 ILE H H 136 8.098 8.098 7.281 0.817 19852 640 1 1 . 1 1 137 137 VAL N N 137 113.232 113.232 126.248 -13.016 19852 641 1 1 . 1 1 137 137 VAL C C 137 176.859 176.859 176.816 0.043 19852 642 1 1 . 1 1 137 137 VAL CA C 137 64.534 64.534 62.500 2.034 19852 643 1 1 . 1 1 137 137 VAL CB C 137 34.082 34.082 32.158 1.924 19852 644 1 1 . 1 1 137 137 VAL H H 137 7.711 7.711 8.157 -0.446 19852 645 1 1 . 1 1 138 138 PHE N N 138 118.279 118.279 122.562 -4.283 19852 646 1 1 . 1 1 138 138 PHE C C 138 175.393 175.393 176.315 -0.922 19852 647 1 1 . 1 1 138 138 PHE CA C 138 58.092 58.092 62.206 -4.114 19852 648 1 1 . 1 1 138 138 PHE CB C 138 39.353 39.353 39.105 0.248 19852 649 1 1 . 1 1 138 138 PHE H H 138 8.317 8.317 8.715 -0.398 19852 650 1 1 . 1 1 139 139 HIS N N 139 107.654 107.654 115.267 -7.613 19852 651 1 1 . 1 1 139 139 HIS C C 139 175.979 175.979 177.324 -1.345 19852 652 1 1 . 1 1 139 139 HIS CA C 139 53.993 53.993 60.143 -6.150 19852 653 1 1 . 1 1 139 139 HIS CB C 139 28.811 28.811 29.719 -0.908 19852 654 1 1 . 1 1 139 139 HIS H H 139 8.016 8.016 8.162 -0.146 19852 655 1 1 . 1 1 140 140 ARG N N 140 117.084 117.084 119.557 -2.473 19852 656 1 1 . 1 1 140 140 ARG C C 140 176.859 176.859 179.003 -2.144 19852 657 1 1 . 1 1 140 140 ARG CA C 140 57.507 57.507 59.669 -2.162 19852 658 1 1 . 1 1 140 140 ARG CB C 140 31.739 31.739 30.040 1.699 19852 659 1 1 . 1 1 140 140 ARG H H 140 8.763 8.763 7.933 0.830 19852 660 1 1 . 1 1 141 141 LYS N N 141 115.623 115.623 118.653 -3.030 19852 661 1 1 . 1 1 141 141 LYS C C 141 173.635 173.635 177.886 -4.251 19852 662 1 1 . 1 1 141 141 LYS CA C 141 58.092 58.092 58.560 -0.468 19852 663 1 1 . 1 1 141 141 LYS CB C 141 33.496 33.496 32.034 1.462 19852 664 1 1 . 1 1 141 141 LYS H H 141 7.449 7.449 7.903 -0.454 19852 665 1 1 . 1 1 142 142 LYS N N 142 114.162 114.162 114.810 -0.648 19852 666 1 1 . 1 1 142 142 LYS C C 142 175.979 175.979 175.960 0.019 19852 667 1 1 . 1 1 142 142 LYS CA C 142 51.065 51.065 54.708 -3.643 19852 668 1 1 . 1 1 142 142 LYS CB C 142 34.668 34.668 31.927 2.741 19852 669 1 1 . 1 1 142 142 LYS H H 142 8.982 8.982 7.166 1.816 19852 670 1 1 . 1 1 143 143 ASN N N 143 112.103 112.103 115.311 -3.208 19852 671 1 1 . 1 1 143 143 ASN C C 143 175.100 175.100 174.251 0.849 19852 672 1 1 . 1 1 143 143 ASN CA C 143 53.407 53.407 54.120 -0.713 19852 673 1 1 . 1 1 143 143 ASN CB C 143 39.938 39.938 36.313 3.625 19852 674 1 1 . 1 1 143 143 ASN H H 143 7.402 7.402 7.911 -0.509 19852 675 1 1 . 1 1 144 144 LEU N N 144 118.810 118.810 117.571 1.239 19852 676 1 1 . 1 1 144 144 LEU CA C 144 53.993 53.993 53.794 0.199 19852 677 1 1 . 1 1 144 144 LEU CB C 144 42.866 42.866 43.685 -0.819 19852 678 1 1 . 1 1 144 144 LEU H H 144 7.793 7.793 7.945 -0.152 19852 679 1 1 . 1 1 145 145 GLN N N 145 119.607 119.607 118.126 1.481 19852 680 1 1 . 1 1 145 145 GLN C C 145 176.859 176.859 173.880 2.979 19852 681 1 1 . 1 1 145 145 GLN CA C 145 55.164 55.164 53.636 1.528 19852 682 1 1 . 1 1 145 145 GLN CB C 145 29.983 29.983 30.197 -0.214 19852 683 1 1 . 1 1 145 145 GLN H H 145 7.014 7.014 7.706 -0.692 19852 684 1 1 . 1 1 146 146 TYR N N 146 119.275 119.275 124.350 -5.075 19852 685 1 1 . 1 1 146 146 TYR C C 146 174.807 174.807 174.187 0.620 19852 686 1 1 . 1 1 146 146 TYR CA C 146 62.777 62.777 55.794 6.983 19852 687 1 1 . 1 1 146 146 TYR CB C 146 41.109 41.109 40.416 0.693 19852 688 1 1 . 1 1 146 146 TYR H H 146 9.350 9.350 8.028 1.322 19852 689 1 1 . 1 1 147 147 TYR N N 147 123.658 123.658 124.958 -1.300 19852 690 1 1 . 1 1 147 147 TYR C C 147 177.738 177.738 173.608 4.130 19852 691 1 1 . 1 1 147 147 TYR CA C 147 58.092 58.092 56.173 1.919 19852 692 1 1 . 1 1 147 147 TYR CB C 147 39.938 39.938 42.082 -2.144 19852 693 1 1 . 1 1 147 147 TYR H H 147 8.340 8.340 8.152 0.188 19852 694 1 1 . 1 1 148 148 ASP N N 148 121.267 121.267 122.914 -1.647 19852 695 1 1 . 1 1 148 148 ASP C C 148 176.859 176.859 175.537 1.322 19852 696 1 1 . 1 1 148 148 ASP CA C 148 54.579 54.579 54.063 0.516 19852 697 1 1 . 1 1 148 148 ASP CB C 148 41.109 41.109 41.629 -0.520 19852 698 1 1 . 1 1 148 148 ASP H H 148 8.911 8.911 8.404 0.507 19852 699 1 1 . 1 1 149 149 ILE N N 149 119.607 119.607 116.633 2.974 19852 700 1 1 . 1 1 149 149 ILE C C 149 174.807 174.807 174.484 0.323 19852 701 1 1 . 1 1 149 149 ILE CA C 149 61.020 61.020 59.365 1.655 19852 702 1 1 . 1 1 149 149 ILE CB C 149 39.353 39.353 42.419 -3.066 19852 703 1 1 . 1 1 149 149 ILE H H 149 8.712 8.712 8.484 0.228 19852 704 1 1 . 1 1 150 150 SER N N 150 117.349 117.349 118.267 -0.918 19852 705 1 1 . 1 1 150 150 SER C C 150 175.686 175.686 174.195 1.491 19852 706 1 1 . 1 1 150 150 SER CA C 150 60.435 60.435 56.591 3.844 19852 707 1 1 . 1 1 150 150 SER CB C 150 62.192 62.192 66.060 -3.868 19852 708 1 1 . 1 1 150 150 SER H H 150 8.454 8.454 8.534 -0.080 19852 709 1 1 . 1 1 151 151 ALA N N 151 131.162 131.162 130.005 1.157 19852 710 1 1 . 1 1 151 151 ALA C C 151 160.742 160.742 179.397 -18.655 19852 711 1 1 . 1 1 151 151 ALA CA C 151 53.993 53.993 55.284 -1.291 19852 712 1 1 . 1 1 151 151 ALA CB C 151 22.369 22.369 18.718 3.651 19852 713 1 1 . 1 1 151 151 ALA H H 151 10.640 10.640 8.902 1.738 19852 714 1 1 . 1 1 152 152 LYS N N 152 121.400 121.400 118.291 3.109 19852 715 1 1 . 1 1 152 152 LYS C C 152 174.221 174.221 177.919 -3.698 19852 716 1 1 . 1 1 152 152 LYS CA C 152 59.849 59.849 59.546 0.303 19852 717 1 1 . 1 1 152 152 LYS CB C 152 34.668 34.668 32.333 2.336 19852 718 1 1 . 1 1 152 152 LYS H H 152 9.099 9.099 8.742 0.357 19852 719 1 1 . 1 1 153 153 SER N N 153 115.212 115.212 110.512 4.700 19852 720 1 1 . 1 1 153 153 SER C C 153 177.152 177.152 174.128 3.024 19852 721 1 1 . 1 1 153 153 SER CA C 153 62.192 62.192 57.622 4.570 19852 722 1 1 . 1 1 153 153 SER CB C 153 66.291 66.291 63.778 2.514 19852 723 1 1 . 1 1 153 153 SER H H 153 8.935 8.935 8.003 0.932 19852 724 1 1 . 1 1 154 154 ASN N N 154 119.341 119.341 116.604 2.737 19852 725 1 1 . 1 1 154 154 ASN C C 154 175.979 175.979 174.146 1.833 19852 726 1 1 . 1 1 154 154 ASN CA C 154 49.894 49.894 54.735 -4.841 19852 727 1 1 . 1 1 154 154 ASN CB C 154 39.353 39.353 36.689 2.664 19852 728 1 1 . 1 1 154 154 ASN H H 154 7.488 7.488 7.816 -0.328 19852 729 1 1 . 1 1 155 155 TYR N N 155 113.498 113.498 123.433 -9.935 19852 730 1 1 . 1 1 155 155 TYR C C 155 173.928 173.928 175.213 -1.285 19852 731 1 1 . 1 1 155 155 TYR CA C 155 56.336 56.336 59.853 -3.517 19852 732 1 1 . 1 1 155 155 TYR CB C 155 37.596 37.596 38.953 -1.357 19852 733 1 1 . 1 1 155 155 TYR H H 155 6.486 6.486 8.065 -1.579 19852 734 1 1 . 1 1 156 156 ASN N N 156 122.396 122.396 122.817 -0.421 19852 735 1 1 . 1 1 156 156 ASN C C 156 175.979 175.979 174.999 0.980 19852 736 1 1 . 1 1 156 156 ASN CA C 156 51.651 51.651 54.248 -2.597 19852 737 1 1 . 1 1 156 156 ASN CB C 156 38.767 38.767 36.254 2.513 19852 738 1 1 . 1 1 156 156 ASN H H 156 8.352 8.352 8.758 -0.406 19852 739 1 1 . 1 1 157 157 PHE N N 157 123.459 123.459 119.173 4.286 19852 740 1 1 . 1 1 157 157 PHE C C 157 174.221 174.221 176.809 -2.588 19852 741 1 1 . 1 1 157 157 PHE CA C 157 57.507 57.507 61.233 -3.725 19852 742 1 1 . 1 1 157 157 PHE CB C 157 39.353 39.353 39.524 -0.171 19852 743 1 1 . 1 1 157 157 PHE H H 157 7.429 7.429 7.619 -0.190 19852 744 1 1 . 1 1 158 158 GLU N N 158 112.568 112.568 118.355 -5.787 19852 745 1 1 . 1 1 158 158 GLU C C 158 176.566 176.566 178.669 -2.103 19852 746 1 1 . 1 1 158 158 GLU CA C 158 72.147 72.147 59.598 12.549 19852 747 1 1 . 1 1 158 158 GLU CB C 158 27.640 27.640 29.222 -1.582 19852 748 1 1 . 1 1 158 158 GLU H H 158 7.495 7.495 8.948 -1.453 19852 749 1 1 . 1 1 159 159 LYS N N 159 113.232 113.232 118.085 -4.853 19852 750 1 1 . 1 1 159 159 LYS C C 159 176.566 176.566 176.036 0.530 19852 751 1 1 . 1 1 159 159 LYS CA C 159 53.993 53.993 60.973 -6.980 19852 752 1 1 . 1 1 159 159 LYS CB C 159 33.496 33.496 29.862 3.634 19852 753 1 1 . 1 1 159 159 LYS H H 159 6.862 6.862 7.547 -0.685 19852 754 1 1 . 1 1 160 160 PRO C C 160 176.273 176.273 178.475 -2.202 19852 755 1 1 . 1 1 160 160 PRO CA C 160 64.258 64.258 65.423 -1.165 19852 756 1 1 . 1 1 160 160 PRO CB C 160 32.318 32.318 30.987 1.331 19852 757 1 1 . 1 1 161 161 PHE N N 161 120.271 120.271 116.747 3.524 19852 758 1 1 . 1 1 161 161 PHE C C 161 175.100 175.100 177.604 -2.504 19852 759 1 1 . 1 1 161 161 PHE CA C 161 56.336 56.336 61.774 -5.438 19852 760 1 1 . 1 1 161 161 PHE CB C 161 39.353 39.353 37.529 1.824 19852 761 1 1 . 1 1 161 161 PHE H H 161 8.074 8.074 7.031 1.043 19852 762 1 1 . 1 1 162 162 LEU N N 162 110.177 110.177 120.193 -10.016 19852 763 1 1 . 1 1 162 162 LEU C C 162 176.273 176.273 177.977 -1.704 19852 764 1 1 . 1 1 162 162 LEU CA C 162 55.750 55.750 58.069 -2.319 19852 765 1 1 . 1 1 162 162 LEU CB C 162 44.037 44.037 41.072 2.965 19852 766 1 1 . 1 1 162 162 LEU H H 162 7.527 7.527 8.002 -0.475 19852 767 1 1 . 1 1 163 163 TRP N N 163 123.525 123.525 120.878 2.647 19852 768 1 1 . 1 1 163 163 TRP C C 163 177.152 177.152 178.037 -0.885 19852 769 1 1 . 1 1 163 163 TRP CA C 163 61.606 61.606 62.387 -0.781 19852 770 1 1 . 1 1 163 163 TRP CB C 163 28.811 28.811 29.538 -0.727 19852 771 1 1 . 1 1 163 163 TRP H H 163 7.476 7.476 7.896 -0.420 19852 772 1 1 . 1 1 164 164 LEU N N 164 119.740 119.740 119.150 0.590 19852 773 1 1 . 1 1 164 164 LEU C C 164 175.686 175.686 178.926 -3.240 19852 774 1 1 . 1 1 164 164 LEU CA C 164 61.020 61.020 57.848 3.172 19852 775 1 1 . 1 1 164 164 LEU CB C 164 45.794 45.794 41.383 4.411 19852 776 1 1 . 1 1 164 164 LEU H H 164 9.412 9.412 8.130 1.282 19852 777 1 1 . 1 1 165 165 ALA N N 165 118.013 118.013 121.578 -3.565 19852 778 1 1 . 1 1 165 165 ALA C C 165 165.723 165.723 179.575 -13.852 19852 779 1 1 . 1 1 165 165 ALA CA C 165 52.236 52.236 55.348 -3.112 19852 780 1 1 . 1 1 165 165 ALA CB C 165 21.784 21.784 18.235 3.549 19852 781 1 1 . 1 1 165 165 ALA H H 165 7.707 7.707 8.500 -0.793 19852 782 1 1 . 1 1 166 166 ARG N N 166 122.994 122.994 118.241 4.753 19852 783 1 1 . 1 1 166 166 ARG C C 166 175.979 175.979 178.873 -2.894 19852 784 1 1 . 1 1 166 166 ARG CA C 166 49.308 49.308 59.043 -9.735 19852 785 1 1 . 1 1 166 166 ARG CB C 166 29.397 29.397 30.145 -0.748 19852 786 1 1 . 1 1 166 166 ARG H H 166 8.692 8.692 8.142 0.550 19852 787 1 1 . 1 1 167 167 LYS N N 167 112.568 112.568 120.041 -7.473 19852 788 1 1 . 1 1 167 167 LYS C C 167 176.273 176.273 179.134 -2.861 19852 789 1 1 . 1 1 167 167 LYS CA C 167 58.092 58.092 58.295 -0.203 19852 790 1 1 . 1 1 167 167 LYS CB C 167 34.668 34.668 31.396 3.272 19852 791 1 1 . 1 1 167 167 LYS H H 167 6.819 6.819 7.378 -0.559 19852 792 1 1 . 1 1 168 168 LEU N N 168 114.959 114.959 120.096 -5.137 19852 793 1 1 . 1 1 168 168 LEU C C 168 177.738 177.738 178.836 -1.098 19852 794 1 1 . 1 1 168 168 LEU CA C 168 56.921 56.921 57.494 -0.573 19852 795 1 1 . 1 1 168 168 LEU CB C 168 41.695 41.695 41.541 0.154 19852 796 1 1 . 1 1 168 168 LEU H H 168 7.269 7.269 7.913 -0.644 19852 797 1 1 . 1 1 169 169 ILE N N 169 124.986 124.986 115.512 9.474 19852 798 1 1 . 1 1 169 169 ILE C C 169 171.877 171.877 177.549 -5.672 19852 799 1 1 . 1 1 169 169 ILE CA C 169 68.048 68.048 61.536 6.512 19852 800 1 1 . 1 1 169 169 ILE CB C 169 39.353 39.353 37.804 1.549 19852 801 1 1 . 1 1 169 169 ILE H H 169 8.915 8.915 8.166 0.749 19852 802 1 1 . 1 1 170 170 GLY N N 170 113.099 113.099 107.538 5.561 19852 803 1 1 . 1 1 170 170 GLY C C 170 162.496 162.496 173.726 -11.230 19852 804 1 1 . 1 1 170 170 GLY CA C 170 44.037 44.037 45.289 -1.252 19852 805 1 1 . 1 1 170 170 GLY H H 170 6.686 6.686 7.719 -1.033 19852 806 1 1 . 1 1 171 171 ASP N N 171 113.232 113.232 121.101 -7.869 19852 807 1 1 . 1 1 171 171 ASP C C 171 178.910 178.910 175.314 3.596 19852 808 1 1 . 1 1 171 171 ASP CA C 171 50.479 50.479 50.637 -0.158 19852 809 1 1 . 1 1 171 171 ASP CB C 171 41.109 41.109 42.008 -0.899 19852 810 1 1 . 1 1 171 171 ASP H H 171 6.815 6.815 7.652 -0.837 19852 811 1 1 . 1 1 172 172 PRO C C 172 176.566 176.566 176.774 -0.208 19852 812 1 1 . 1 1 172 172 PRO CA C 172 63.965 63.965 63.802 0.163 19852 813 1 1 . 1 1 172 172 PRO CB C 172 31.732 31.732 32.258 -0.526 19852 814 1 1 . 1 1 173 173 ASN N N 173 109.779 109.779 116.511 -6.732 19852 815 1 1 . 1 1 173 173 ASN C C 173 175.979 175.979 176.249 -0.270 19852 816 1 1 . 1 1 173 173 ASN CA C 173 54.579 54.579 53.279 1.300 19852 817 1 1 . 1 1 173 173 ASN CB C 173 36.424 36.424 39.104 -2.680 19852 818 1 1 . 1 1 173 173 ASN H H 173 8.016 8.016 8.391 -0.375 19852 819 1 1 . 1 1 174 174 LEU N N 174 109.248 109.248 122.427 -13.179 19852 820 1 1 . 1 1 174 174 LEU C C 174 176.566 176.566 176.203 0.363 19852 821 1 1 . 1 1 174 174 LEU CA C 174 56.336 56.336 55.885 0.451 19852 822 1 1 . 1 1 174 174 LEU CB C 174 44.037 44.037 41.869 2.168 19852 823 1 1 . 1 1 174 174 LEU H H 174 7.871 7.871 7.382 0.489 19852 824 1 1 . 1 1 175 175 GLU N N 175 125.185 125.185 122.426 2.759 19852 825 1 1 . 1 1 175 175 GLU C C 175 177.445 177.445 174.897 2.548 19852 826 1 1 . 1 1 175 175 GLU CA C 175 76.247 76.247 54.758 21.489 19852 827 1 1 . 1 1 175 175 GLU CB C 175 28.811 28.811 34.337 -5.526 19852 828 1 1 . 1 1 175 175 GLU H H 175 9.127 9.127 9.067 0.060 19852 829 1 1 . 1 1 176 176 PHE N N 176 136.873 136.873 122.376 14.497 19852 830 1 1 . 1 1 176 176 PHE C C 176 178.617 178.617 177.084 1.533 19852 831 1 1 . 1 1 176 176 PHE CA C 176 59.264 59.264 55.640 3.624 19852 832 1 1 . 1 1 176 176 PHE CB C 176 44.623 44.623 39.047 5.576 19852 833 1 1 . 1 1 176 176 PHE H H 176 10.058 10.058 8.750 1.308 19852 834 1 1 . 1 1 177 177 VAL N N 177 118.877 118.877 124.185 -5.308 19852 835 1 1 . 1 1 177 177 VAL C C 177 177.445 177.445 175.761 1.684 19852 836 1 1 . 1 1 177 177 VAL CA C 177 62.777 62.777 63.944 -1.167 19852 837 1 1 . 1 1 177 177 VAL CB C 177 34.668 34.668 32.231 2.437 19852 838 1 1 . 1 1 177 177 VAL H H 177 7.789 7.789 8.641 -0.852 19852 839 1 1 . 1 1 178 178 ALA N N 178 128.904 128.904 120.992 7.912 19852 840 1 1 . 1 1 178 178 ALA CA C 178 57.507 57.507 51.462 6.045 19852 841 1 1 . 1 1 178 178 ALA CB C 178 19.441 19.441 21.072 -1.631 19852 842 1 1 . 1 1 178 178 ALA H H 178 7.566 7.566 7.499 0.067 19852 843 1 1 . 1 1 179 179 MET N N 179 120.736 120.736 121.440 -0.704 19852 844 1 1 . 1 1 179 179 MET C C 179 176.859 176.859 174.720 2.139 19852 845 1 1 . 1 1 179 179 MET CA C 179 56.336 56.336 53.423 2.913 19852 846 1 1 . 1 1 179 179 MET CB C 179 34.668 34.668 32.391 2.277 19852 847 1 1 . 1 1 179 179 MET H H 179 7.930 7.930 8.474 -0.544 19852 848 1 1 . 1 1 180 180 PRO C C 180 177.445 177.445 175.989 1.456 19852 849 1 1 . 1 1 180 180 PRO CA C 180 64.844 64.844 62.411 2.433 19852 850 1 1 . 1 1 180 180 PRO CB C 180 29.974 29.974 31.867 -1.893 19852 851 1 1 . 1 1 181 181 ALA N N 181 128.439 128.439 123.456 4.983 19852 852 1 1 . 1 1 181 181 ALA C C 181 176.273 176.273 175.977 0.296 19852 853 1 1 . 1 1 181 181 ALA CA C 181 58.092 58.092 52.504 5.588 19852 854 1 1 . 1 1 181 181 ALA CB C 181 21.198 21.198 19.102 2.096 19852 855 1 1 . 1 1 181 181 ALA H H 181 8.673 8.673 8.182 0.491 19852 856 1 1 . 1 1 182 182 LEU N N 182 122.130 122.130 123.461 -1.331 19852 857 1 1 . 1 1 182 182 LEU C C 182 177.445 177.445 176.874 0.571 19852 858 1 1 . 1 1 182 182 LEU CA C 182 55.164 55.164 52.514 2.650 19852 859 1 1 . 1 1 182 182 LEU CB C 182 42.866 42.866 45.304 -2.438 19852 860 1 1 . 1 1 182 182 LEU H H 182 8.821 8.821 8.115 0.706 19852 861 1 1 . 1 1 183 183 ALA N N 183 108.783 108.783 125.670 -16.887 19852 862 1 1 . 1 1 183 183 ALA C C 183 160.742 160.742 175.423 -14.681 19852 863 1 1 . 1 1 183 183 ALA CA C 183 51.651 51.651 50.613 1.038 19852 864 1 1 . 1 1 183 183 ALA CB C 183 18.856 18.856 17.925 0.931 19852 865 1 1 . 1 1 183 183 ALA H H 183 7.621 7.621 8.366 -0.745 19852 866 1 1 . 1 1 184 184 PRO C C 184 177.152 177.152 175.075 2.077 19852 867 1 1 . 1 1 184 184 PRO CA C 184 64.258 64.258 62.044 2.214 19852 868 1 1 . 1 1 184 184 PRO CB C 184 29.681 29.681 31.597 -1.916 19852 869 1 1 . 1 1 185 185 PRO C C 185 175.686 175.686 176.999 -1.313 19852 870 1 1 . 1 1 185 185 PRO CA C 185 63.379 63.379 63.165 0.214 19852 871 1 1 . 1 1 185 185 PRO CB C 185 35.248 35.248 32.330 2.918 19852 872 1 1 . 1 1 186 186 GLU N N 186 104.931 104.931 124.062 -19.131 19852 873 1 1 . 1 1 186 186 GLU C C 186 174.221 174.221 176.673 -2.452 19852 874 1 1 . 1 1 186 186 GLU CA C 186 57.507 57.507 58.562 -1.055 19852 875 1 1 . 1 1 186 186 GLU CB C 186 31.739 31.739 30.232 1.507 19852 876 1 1 . 1 1 186 186 GLU H H 186 8.673 8.673 8.764 -0.091 19852 877 1 1 . 1 1 187 187 VAL N N 187 124.455 124.455 112.041 12.414 19852 878 1 1 . 1 1 187 187 VAL C C 187 178.910 178.910 173.933 4.977 19852 879 1 1 . 1 1 187 187 VAL CA C 187 63.363 63.363 60.567 2.796 19852 880 1 1 . 1 1 187 187 VAL CB C 187 34.082 34.082 34.796 -0.714 19852 881 1 1 . 1 1 187 187 VAL H H 187 8.622 8.622 7.498 1.124 19852 882 1 1 . 1 1 188 188 VAL N N 188 128.572 128.572 121.151 7.421 19852 883 1 1 . 1 1 188 188 VAL C C 188 178.324 178.324 175.200 3.124 19852 884 1 1 . 1 1 188 188 VAL CA C 188 68.634 68.634 61.311 7.323 19852 885 1 1 . 1 1 188 188 VAL CB C 188 31.154 31.154 34.390 -3.236 19852 886 1 1 . 1 1 188 188 VAL H H 188 8.497 8.497 8.164 0.333 19852 887 1 1 . 1 1 189 189 MET N N 189 122.795 122.795 127.757 -4.962 19852 888 1 1 . 1 1 189 189 MET C C 189 177.445 177.445 175.216 2.229 19852 889 1 1 . 1 1 189 189 MET CA C 189 55.164 55.164 55.001 0.163 19852 890 1 1 . 1 1 189 189 MET CB C 189 35.253 35.253 33.361 1.892 19852 891 1 1 . 1 1 189 189 MET H H 189 6.991 6.991 8.423 -1.432 19852 892 1 1 . 1 1 190 190 ASP N N 190 114.959 114.959 128.491 -13.532 19852 893 1 1 . 1 1 190 190 ASP C C 190 175.686 175.686 175.692 -0.006 19852 894 1 1 . 1 1 190 190 ASP CA C 190 51.065 51.065 52.414 -1.349 19852 895 1 1 . 1 1 190 190 ASP CB C 190 41.695 41.695 42.201 -0.506 19852 896 1 1 . 1 1 190 190 ASP H H 190 7.210 7.210 8.522 -1.312 19852 897 1 1 . 1 1 191 191 PRO C C 191 176.566 176.566 177.717 -1.151 19852 898 1 1 . 1 1 191 191 PRO CA C 191 63.965 63.965 65.137 -1.172 19852 899 1 1 . 1 1 191 191 PRO CB C 191 31.146 31.146 31.889 -0.743 19852 900 1 1 . 1 1 192 192 ALA N N 192 109.513 109.513 119.874 -10.361 19852 901 1 1 . 1 1 192 192 ALA CA C 192 53.993 53.993 54.897 -0.904 19852 902 1 1 . 1 1 192 192 ALA CB C 192 19.441 19.441 18.151 1.290 19852 903 1 1 . 1 1 192 192 ALA H H 192 7.394 7.394 7.768 -0.374 19852 904 1 1 . 1 1 193 193 LEU N N 193 119.009 119.009 119.292 -0.283 19852 905 1 1 . 1 1 193 193 LEU C C 193 175.979 175.979 178.690 -2.711 19852 906 1 1 . 1 1 193 193 LEU CA C 193 56.336 56.336 57.234 -0.898 19852 907 1 1 . 1 1 193 193 LEU CB C 193 42.866 42.866 41.357 1.509 19852 908 1 1 . 1 1 193 193 LEU H H 193 8.340 8.340 7.790 0.550 19852 909 1 1 . 1 1 194 194 ALA N N 194 121.666 121.666 121.485 0.181 19852 910 1 1 . 1 1 194 194 ALA C C 194 166.896 166.896 179.271 -12.375 19852 911 1 1 . 1 1 194 194 ALA CA C 194 55.164 55.164 54.865 0.299 19852 912 1 1 . 1 1 194 194 ALA CB C 194 16.513 16.513 18.055 -1.542 19852 913 1 1 . 1 1 194 194 ALA H H 194 8.176 8.176 8.069 0.107 19852 914 1 1 . 1 1 195 195 ALA N N 195 119.541 119.541 121.239 -1.698 19852 915 1 1 . 1 1 195 195 ALA C C 195 173.928 173.928 179.785 -5.857 19852 916 1 1 . 1 1 195 195 ALA CA C 195 57.507 57.507 54.825 2.683 19852 917 1 1 . 1 1 195 195 ALA CB C 195 19.441 19.441 18.393 1.048 19852 918 1 1 . 1 1 195 195 ALA H H 195 8.364 8.364 8.061 0.303 19852 919 1 1 . 1 1 196 196 GLN N N 196 107.322 107.322 118.475 -11.153 19852 920 1 1 . 1 1 196 196 GLN C C 196 176.273 176.273 178.761 -2.488 19852 921 1 1 . 1 1 196 196 GLN CA C 196 56.921 56.921 59.188 -2.267 19852 922 1 1 . 1 1 196 196 GLN CB C 196 29.983 29.983 28.743 1.240 19852 923 1 1 . 1 1 196 196 GLN H H 196 7.910 7.910 7.911 -0.001 19852 924 1 1 . 1 1 197 197 TYR N N 197 115.623 115.623 119.207 -3.584 19852 925 1 1 . 1 1 197 197 TYR CA C 197 67.462 67.462 58.667 8.794 19852 926 1 1 . 1 1 197 197 TYR CB C 197 41.695 41.695 37.695 4.000 19852 927 1 1 . 1 1 197 197 TYR H H 197 8.196 8.196 8.288 -0.092 19852 928 1 1 . 1 1 198 198 GLU N N 198 110.244 110.244 119.723 -9.479 19852 929 1 1 . 1 1 198 198 GLU C C 198 176.273 176.273 178.910 -2.637 19852 930 1 1 . 1 1 198 198 GLU CA C 198 53.407 53.407 59.662 -6.255 19852 931 1 1 . 1 1 198 198 GLU CB C 198 30.568 30.568 29.593 0.975 19852 932 1 1 . 1 1 198 198 GLU H H 198 7.523 7.523 8.304 -0.781 19852 933 1 1 . 1 1 199 199 HIS N N 199 118.611 118.611 120.089 -1.478 19852 934 1 1 . 1 1 199 199 HIS C C 199 175.686 175.686 177.152 -1.466 19852 935 1 1 . 1 1 199 199 HIS CA C 199 56.921 56.921 59.426 -2.505 19852 936 1 1 . 1 1 199 199 HIS CB C 199 28.226 28.226 29.785 -1.558 19852 937 1 1 . 1 1 199 199 HIS H H 199 8.512 8.512 8.360 0.152 19852 938 1 1 . 1 1 200 200 ASP N N 200 120.736 120.736 120.135 0.601 19852 939 1 1 . 1 1 200 200 ASP C C 200 176.273 176.273 178.921 -2.648 19852 940 1 1 . 1 1 200 200 ASP CA C 200 56.921 56.921 57.364 -0.443 19852 941 1 1 . 1 1 200 200 ASP CB C 200 40.524 40.524 40.395 0.129 19852 942 1 1 . 1 1 200 200 ASP H H 200 7.519 7.519 8.322 -0.803 19852 943 1 1 . 1 1 201 201 LEU N N 201 116.353 116.353 120.232 -3.879 19852 944 1 1 . 1 1 201 201 LEU C C 201 178.910 178.910 179.500 -0.590 19852 945 1 1 . 1 1 201 201 LEU CA C 201 61.606 61.606 57.869 3.737 19852 946 1 1 . 1 1 201 201 LEU CB C 201 41.109 41.109 41.999 -0.890 19852 947 1 1 . 1 1 201 201 LEU H H 201 7.722 7.722 8.043 -0.321 19852 948 1 1 . 1 1 202 202 GLU N N 202 118.080 118.080 119.263 -1.183 19852 949 1 1 . 1 1 202 202 GLU C C 202 176.566 176.566 179.276 -2.710 19852 950 1 1 . 1 1 202 202 GLU CA C 202 56.921 56.921 59.233 -2.312 19852 951 1 1 . 1 1 202 202 GLU CB C 202 30.568 30.568 29.635 0.933 19852 952 1 1 . 1 1 202 202 GLU H H 202 8.857 8.857 7.921 0.936 19852 953 1 1 . 1 1 203 203 VAL N N 203 129.369 129.369 119.360 10.009 19852 954 1 1 . 1 1 203 203 VAL C C 203 178.617 178.617 177.783 0.834 19852 955 1 1 . 1 1 203 203 VAL CA C 203 64.534 64.534 66.657 -2.123 19852 956 1 1 . 1 1 203 203 VAL CB C 203 27.640 27.640 31.555 -3.915 19852 957 1 1 . 1 1 203 203 VAL H H 203 9.283 9.283 8.079 1.204 19852 958 1 1 . 1 1 204 204 ALA N N 204 109.580 109.580 118.494 -8.914 19852 959 1 1 . 1 1 204 204 ALA C C 204 176.859 176.859 179.640 -2.781 19852 960 1 1 . 1 1 204 204 ALA CA C 204 54.579 54.579 52.959 1.620 19852 961 1 1 . 1 1 204 204 ALA CB C 204 18.270 18.270 18.622 -0.352 19852 962 1 1 . 1 1 204 204 ALA H H 204 8.528 8.528 7.616 0.912 19852 963 1 1 . 1 1 205 205 GLN N N 205 115.756 115.756 119.703 -3.947 19852 964 1 1 . 1 1 205 205 GLN C C 205 175.979 175.979 178.018 -2.039 19852 965 1 1 . 1 1 205 205 GLN CA C 205 48.137 48.137 58.413 -10.276 19852 966 1 1 . 1 1 205 205 GLN CB C 205 25.883 25.883 28.893 -3.010 19852 967 1 1 . 1 1 205 205 GLN H H 205 7.973 7.973 8.004 -0.031 19852 968 1 1 . 1 1 206 206 THR N N 206 120.271 120.271 110.291 9.980 19852 969 1 1 . 1 1 206 206 THR C C 206 176.273 176.273 173.916 2.357 19852 970 1 1 . 1 1 206 206 THR CA C 206 67.462 67.462 62.168 5.294 19852 971 1 1 . 1 1 206 206 THR CB C 206 70.390 70.390 67.118 3.272 19852 972 1 1 . 1 1 206 206 THR H H 206 7.585 7.585 7.644 -0.059 19852 973 1 1 . 1 1 207 207 THR N N 207 111.970 111.970 111.860 0.110 19852 974 1 1 . 1 1 207 207 THR C C 207 176.566 176.566 173.878 2.688 19852 975 1 1 . 1 1 207 207 THR CA C 207 64.534 64.534 63.991 0.543 19852 976 1 1 . 1 1 207 207 THR CB C 207 72.733 72.733 66.593 6.140 19852 977 1 1 . 1 1 207 207 THR H H 207 7.468 7.468 7.781 -0.313 19852 978 1 1 . 1 1 208 208 ALA N N 208 115.623 115.623 121.545 -5.922 19852 979 1 1 . 1 1 208 208 ALA C C 208 168.947 168.947 177.036 -8.089 19852 980 1 1 . 1 1 208 208 ALA CA C 208 55.164 55.164 51.740 3.424 19852 981 1 1 . 1 1 208 208 ALA CB C 208 22.369 22.369 20.186 2.183 19852 982 1 1 . 1 1 208 208 ALA H H 208 7.390 7.390 7.640 -0.250 19852 983 1 1 . 1 1 209 209 LEU N N 209 117.814 117.814 117.809 0.005 19852 984 1 1 . 1 1 209 209 LEU C C 209 176.273 176.273 175.418 0.855 19852 985 1 1 . 1 1 209 209 LEU CA C 209 58.678 58.678 56.841 1.837 19852 986 1 1 . 1 1 209 209 LEU CB C 209 46.380 46.380 39.965 6.415 19852 987 1 1 . 1 1 209 209 LEU H H 209 7.652 7.652 8.299 -0.647 19852 988 1 1 . 1 1 210 210 PRO C C 210 176.566 176.566 177.081 -0.515 19852 989 1 1 . 1 1 210 210 PRO CA C 210 63.086 63.086 63.187 -0.101 19852 990 1 1 . 1 1 210 210 PRO CB C 210 31.146 31.146 32.022 -0.876 19852 991 1 1 . 1 1 211 211 ASP N N 211 121.134 121.134 125.148 -4.014 19852 992 1 1 . 1 1 211 211 ASP C C 211 176.273 176.273 178.228 -1.955 19852 993 1 1 . 1 1 211 211 ASP CA C 211 52.236 52.236 57.268 -5.032 19852 994 1 1 . 1 1 211 211 ASP CB C 211 42.281 42.281 40.669 1.612 19852 995 1 1 . 1 1 211 211 ASP H H 211 9.510 9.510 8.909 0.601 19852 996 1 1 . 1 1 212 212 GLU N N 212 131.162 131.162 118.148 13.014 19852 997 1 1 . 1 1 212 212 GLU C C 212 176.273 176.273 177.562 -1.289 19852 998 1 1 . 1 1 212 212 GLU CA C 212 55.164 55.164 58.762 -3.598 19852 999 1 1 . 1 1 212 212 GLU CB C 212 30.568 30.568 29.429 1.139 19852 1000 1 1 . 1 1 212 212 GLU H H 212 8.399 8.399 8.040 0.359 19852 1001 1 1 . 1 1 213 213 ASP N N 213 115.822 115.822 118.671 -2.849 19852 1002 1 1 . 1 1 213 213 ASP C C 213 174.807 174.807 178.771 -3.964 19852 1003 1 1 . 1 1 213 213 ASP CA C 213 51.065 51.065 56.762 -5.697 19852 1004 1 1 . 1 1 213 213 ASP CB C 213 41.109 41.109 40.763 0.346 19852 1005 1 1 . 1 1 213 213 ASP H H 213 10.699 10.699 7.357 3.342 19852 1006 1 1 . 1 1 214 214 ASP N N 214 112.369 112.369 120.099 -7.730 19852 1007 1 1 . 1 1 214 214 ASP C C 214 178.910 178.910 177.086 1.824 19852 1008 1 1 . 1 1 214 214 ASP CA C 214 54.579 54.579 56.126 -1.547 19852 1009 1 1 . 1 1 214 214 ASP CB C 214 39.353 39.353 40.903 -1.550 19852 1010 1 1 . 1 1 214 214 ASP H H 214 7.464 7.464 7.971 -0.507 19852 1011 1 1 . 1 1 215 215 ASP N N 215 127.244 127.244 117.675 9.569 19852 1012 1 1 . 1 1 215 215 ASP C C 215 176.859 176.859 177.067 -0.208 19852 1013 1 1 . 1 1 215 215 ASP CA C 215 54.579 54.579 56.321 -1.742 19852 1014 1 1 . 1 1 215 215 ASP CB C 215 40.524 40.524 41.027 -0.503 19852 1015 1 1 . 1 1 215 215 ASP H H 215 8.301 8.301 8.084 0.217 19852 1016 1 2 . 1 1 2 2 ALA N N 2 131.228 131.228 124.905 6.323 19852 1017 1 2 . 1 1 2 2 ALA C C 2 187.031 187.031 176.010 11.021 19852 1018 1 2 . 1 1 2 2 ALA CA C 2 53.407 53.407 52.009 1.398 19852 1019 1 2 . 1 1 2 2 ALA CB C 2 20.027 20.027 17.306 2.721 19852 1020 1 2 . 1 1 2 2 ALA H H 2 10.644 10.644 8.643 2.001 19852 1021 1 2 . 1 1 3 3 ALA N N 3 124.521 124.521 123.690 0.831 19852 1022 1 2 . 1 1 3 3 ALA C C 3 176.566 176.566 176.064 0.502 19852 1023 1 2 . 1 1 3 3 ALA CA C 3 49.894 49.894 51.658 -1.764 19852 1024 1 2 . 1 1 3 3 ALA CB C 3 18.270 18.270 20.872 -2.602 19852 1025 1 2 . 1 1 3 3 ALA H H 3 8.669 8.669 7.749 0.920 19852 1026 1 2 . 1 1 4 4 GLN N N 4 118.080 118.080 119.822 -1.742 19852 1027 1 2 . 1 1 4 4 GLN C C 4 176.273 176.273 177.297 -1.024 19852 1028 1 2 . 1 1 4 4 GLN CA C 4 54.579 54.579 55.694 -1.115 19852 1029 1 2 . 1 1 4 4 GLN CB C 4 27.054 27.054 29.357 -2.303 19852 1030 1 2 . 1 1 4 4 GLN H H 4 8.919 8.919 8.536 0.383 19852 1031 1 2 . 1 1 5 5 GLY N N 5 121.002 121.002 109.672 11.330 19852 1032 1 2 . 1 1 5 5 GLY C C 5 181.877 181.877 174.446 7.431 19852 1033 1 2 . 1 1 5 5 GLY CA C 5 45.794 45.794 44.875 0.919 19852 1034 1 2 . 1 1 5 5 GLY H H 5 8.082 8.082 8.703 -0.621 19852 1035 1 2 . 1 1 6 6 GLU N N 6 129.435 129.435 122.237 7.198 19852 1036 1 2 . 1 1 6 6 GLU C C 6 176.566 176.566 175.049 1.517 19852 1037 1 2 . 1 1 6 6 GLU CA C 6 56.336 56.336 54.425 1.911 19852 1038 1 2 . 1 1 6 6 GLU CB C 6 28.811 28.811 29.870 -1.059 19852 1039 1 2 . 1 1 6 6 GLU H H 6 9.267 9.267 8.224 1.043 19852 1040 1 2 . 1 1 7 7 PRO C C 7 176.566 176.566 176.282 0.284 19852 1041 1 2 . 1 1 7 7 PRO CA C 7 63.672 63.672 62.972 0.700 19852 1042 1 2 . 1 1 7 7 PRO CB C 7 31.146 31.146 32.073 -0.927 19852 1043 1 2 . 1 1 8 8 GLN N N 8 112.502 112.502 121.579 -9.077 19852 1044 1 2 . 1 1 8 8 GLN C C 8 177.445 177.445 176.071 1.374 19852 1045 1 2 . 1 1 8 8 GLN CA C 8 50.479 50.479 54.865 -4.386 19852 1046 1 2 . 1 1 8 8 GLN CB C 8 28.811 28.811 29.499 -0.688 19852 1047 1 2 . 1 1 8 8 GLN H H 8 6.220 6.220 8.379 -2.159 19852 1048 1 2 . 1 1 9 9 VAL N N 9 117.416 117.416 123.911 -6.495 19852 1049 1 2 . 1 1 9 9 VAL C C 9 178.324 178.324 174.217 4.107 19852 1050 1 2 . 1 1 9 9 VAL CA C 9 63.363 63.363 62.049 1.314 19852 1051 1 2 . 1 1 9 9 VAL CB C 9 34.668 34.668 31.530 3.138 19852 1052 1 2 . 1 1 9 9 VAL H H 9 6.561 6.561 8.601 -2.040 19852 1053 1 2 . 1 1 10 10 GLN N N 10 113.896 113.896 124.678 -10.782 19852 1054 1 2 . 1 1 10 10 GLN C C 10 176.273 176.273 174.621 1.652 19852 1055 1 2 . 1 1 10 10 GLN CA C 10 55.164 55.164 53.798 1.366 19852 1056 1 2 . 1 1 10 10 GLN CB C 10 28.226 28.226 32.654 -4.428 19852 1057 1 2 . 1 1 10 10 GLN H H 10 7.847 7.847 8.067 -0.220 19852 1058 1 2 . 1 1 11 11 PHE N N 11 118.744 118.744 121.791 -3.047 19852 1059 1 2 . 1 1 11 11 PHE C C 11 176.566 176.566 174.562 2.004 19852 1060 1 2 . 1 1 11 11 PHE CA C 11 59.849 59.849 56.455 3.394 19852 1061 1 2 . 1 1 11 11 PHE CB C 11 41.109 41.109 43.261 -2.151 19852 1062 1 2 . 1 1 11 11 PHE H H 11 8.262 8.262 8.936 -0.674 19852 1063 1 2 . 1 1 12 12 LYS N N 12 124.123 124.123 122.832 1.291 19852 1064 1 2 . 1 1 12 12 LYS C C 12 177.152 177.152 175.114 2.038 19852 1065 1 2 . 1 1 12 12 LYS CA C 12 57.507 57.507 56.108 1.399 19852 1066 1 2 . 1 1 12 12 LYS CB C 12 28.811 28.811 33.274 -4.463 19852 1067 1 2 . 1 1 12 12 LYS H H 12 8.415 8.415 8.995 -0.580 19852 1068 1 2 . 1 1 13 13 LEU N N 13 112.103 112.103 128.232 -16.129 19852 1069 1 2 . 1 1 13 13 LEU C C 13 177.738 177.738 174.520 3.218 19852 1070 1 2 . 1 1 13 13 LEU CA C 13 54.579 54.579 53.358 1.220 19852 1071 1 2 . 1 1 13 13 LEU CB C 13 42.866 42.866 45.986 -3.120 19852 1072 1 2 . 1 1 13 13 LEU H H 13 6.905 6.905 9.110 -2.205 19852 1073 1 2 . 1 1 14 14 VAL N N 14 127.310 127.310 126.734 0.576 19852 1074 1 2 . 1 1 14 14 VAL C C 14 175.393 175.393 173.907 1.486 19852 1075 1 2 . 1 1 14 14 VAL CA C 14 70.976 70.976 61.727 9.249 19852 1076 1 2 . 1 1 14 14 VAL CB C 14 28.811 28.811 33.102 -4.290 19852 1077 1 2 . 1 1 14 14 VAL H H 14 8.305 8.305 8.730 -0.425 19852 1078 1 2 . 1 1 15 15 LEU N N 15 121.400 121.400 131.063 -9.663 19852 1079 1 2 . 1 1 15 15 LEU C C 15 173.342 173.342 175.265 -1.923 19852 1080 1 2 . 1 1 15 15 LEU CA C 15 56.336 56.336 53.222 3.114 19852 1081 1 2 . 1 1 15 15 LEU CB C 15 41.695 41.695 44.457 -2.762 19852 1082 1 2 . 1 1 15 15 LEU H H 15 7.785 7.785 8.334 -0.549 19852 1083 1 2 . 1 1 16 16 VAL N N 16 121.267 121.267 121.336 -0.069 19852 1084 1 2 . 1 1 16 16 VAL C C 16 178.324 178.324 174.483 3.841 19852 1085 1 2 . 1 1 16 16 VAL CA C 16 63.363 63.363 58.750 4.613 19852 1086 1 2 . 1 1 16 16 VAL CB C 16 35.839 35.839 35.412 0.427 19852 1087 1 2 . 1 1 16 16 VAL H H 16 8.935 8.935 8.856 0.079 19852 1088 1 2 . 1 1 17 17 GLY N N 17 127.908 127.908 107.132 20.776 19852 1089 1 2 . 1 1 17 17 GLY C C 17 174.514 174.514 172.383 2.131 19852 1090 1 2 . 1 1 17 17 GLY CA C 17 42.281 42.281 44.823 -2.542 19852 1091 1 2 . 1 1 17 17 GLY H H 17 9.682 9.682 7.148 2.534 19852 1092 1 2 . 1 1 18 18 ASP N N 18 119.673 119.673 120.607 -0.934 19852 1093 1 2 . 1 1 18 18 ASP C C 18 176.859 176.859 176.948 -0.089 19852 1094 1 2 . 1 1 18 18 ASP CA C 18 55.750 55.750 54.748 1.002 19852 1095 1 2 . 1 1 18 18 ASP CB C 18 39.938 39.938 42.154 -2.216 19852 1096 1 2 . 1 1 18 18 ASP H H 18 7.879 7.879 8.423 -0.544 19852 1097 1 2 . 1 1 19 19 GLY N N 19 120.670 120.670 107.726 12.944 19852 1098 1 2 . 1 1 19 19 GLY C C 19 178.324 178.324 175.276 3.048 19852 1099 1 2 . 1 1 19 19 GLY CA C 19 42.281 42.281 45.607 -3.326 19852 1100 1 2 . 1 1 19 19 GLY H H 19 8.825 8.825 8.647 0.178 19852 1101 1 2 . 1 1 20 20 GLY N N 20 129.369 129.369 112.091 17.278 19852 1102 1 2 . 1 1 20 20 GLY C C 20 174.221 174.221 175.926 -1.705 19852 1103 1 2 . 1 1 20 20 GLY CA C 20 41.695 41.695 45.500 -3.805 19852 1104 1 2 . 1 1 20 20 GLY H H 20 8.477 8.477 8.589 -0.112 19852 1105 1 2 . 1 1 21 21 THR N N 21 114.560 114.560 114.241 0.319 19852 1106 1 2 . 1 1 21 21 THR C C 21 178.617 178.617 175.194 3.423 19852 1107 1 2 . 1 1 21 21 THR CA C 21 62.192 62.192 64.853 -2.661 19852 1108 1 2 . 1 1 21 21 THR CB C 21 70.390 70.390 69.210 1.180 19852 1109 1 2 . 1 1 21 21 THR H H 21 8.196 8.196 7.751 0.445 19852 1110 1 2 . 1 1 22 22 GLY N N 22 112.369 112.369 108.150 4.219 19852 1111 1 2 . 1 1 22 22 GLY C C 22 184.807 184.807 175.313 9.494 19852 1112 1 2 . 1 1 22 22 GLY CA C 22 45.209 45.209 44.931 0.278 19852 1113 1 2 . 1 1 22 22 GLY H H 22 6.772 6.772 8.209 -1.437 19852 1114 1 2 . 1 1 23 23 LYS N N 23 124.056 124.056 120.398 3.658 19852 1115 1 2 . 1 1 23 23 LYS C C 23 176.566 176.566 177.993 -1.427 19852 1116 1 2 . 1 1 23 23 LYS CA C 23 56.921 56.921 59.904 -2.983 19852 1117 1 2 . 1 1 23 23 LYS CB C 23 35.839 35.839 32.383 3.456 19852 1118 1 2 . 1 1 23 23 LYS H H 23 8.180 8.180 7.744 0.436 19852 1119 1 2 . 1 1 24 24 THR N N 24 114.627 114.627 113.749 0.878 19852 1120 1 2 . 1 1 24 24 THR C C 24 178.324 178.324 176.518 1.806 19852 1121 1 2 . 1 1 24 24 THR CA C 24 62.192 62.192 67.763 -5.571 19852 1122 1 2 . 1 1 24 24 THR CB C 24 71.562 71.562 67.699 3.863 19852 1123 1 2 . 1 1 24 24 THR H H 24 8.469 8.469 8.507 -0.038 19852 1124 1 2 . 1 1 25 25 THR N N 25 110.377 110.377 118.326 -7.949 19852 1125 1 2 . 1 1 25 25 THR C C 25 178.324 178.324 175.769 2.555 19852 1126 1 2 . 1 1 25 25 THR CA C 25 64.534 64.534 67.140 -2.606 19852 1127 1 2 . 1 1 25 25 THR CB C 25 71.562 71.562 68.459 3.103 19852 1128 1 2 . 1 1 25 25 THR H H 25 8.415 8.415 8.096 0.319 19852 1129 1 2 . 1 1 26 26 PHE N N 26 114.295 114.295 121.672 -7.377 19852 1130 1 2 . 1 1 26 26 PHE C C 26 174.514 174.514 177.331 -2.817 19852 1131 1 2 . 1 1 26 26 PHE CA C 26 53.407 53.407 61.457 -8.050 19852 1132 1 2 . 1 1 26 26 PHE CB C 26 40.524 40.524 39.227 1.297 19852 1133 1 2 . 1 1 26 26 PHE H H 26 7.707 7.707 8.227 -0.520 19852 1134 1 2 . 1 1 27 27 VAL N N 27 123.525 123.525 119.729 3.796 19852 1135 1 2 . 1 1 27 27 VAL C C 27 178.031 178.031 177.753 0.278 19852 1136 1 2 . 1 1 27 27 VAL CA C 27 67.462 67.462 66.558 0.904 19852 1137 1 2 . 1 1 27 27 VAL CB C 27 29.397 29.397 31.463 -2.066 19852 1138 1 2 . 1 1 27 27 VAL H H 27 6.987 6.987 8.190 -1.203 19852 1139 1 2 . 1 1 28 28 LYS N N 28 114.228 114.228 117.210 -2.982 19852 1140 1 2 . 1 1 28 28 LYS C C 28 176.566 176.566 177.672 -1.106 19852 1141 1 2 . 1 1 28 28 LYS CA C 28 58.092 58.092 57.924 0.168 19852 1142 1 2 . 1 1 28 28 LYS CB C 28 34.082 34.082 31.705 2.377 19852 1143 1 2 . 1 1 28 28 LYS H H 28 7.429 7.429 7.887 -0.458 19852 1144 1 2 . 1 1 29 29 ARG N N 29 112.037 112.037 117.239 -5.202 19852 1145 1 2 . 1 1 29 29 ARG C C 29 174.221 174.221 176.522 -2.301 19852 1146 1 2 . 1 1 29 29 ARG CA C 29 72.147 72.147 58.457 13.690 19852 1147 1 2 . 1 1 29 29 ARG CB C 29 37.596 37.596 30.279 7.317 19852 1148 1 2 . 1 1 29 29 ARG H H 29 6.803 6.803 7.125 -0.322 19852 1149 1 2 . 1 1 30 30 HIS N N 30 122.396 122.396 119.269 3.127 19852 1150 1 2 . 1 1 30 30 HIS C C 30 172.170 172.170 176.157 -3.987 19852 1151 1 2 . 1 1 30 30 HIS CA C 30 51.651 51.651 55.679 -4.028 19852 1152 1 2 . 1 1 30 30 HIS CB C 30 30.568 30.568 29.973 0.595 19852 1153 1 2 . 1 1 30 30 HIS H H 30 7.644 7.644 7.300 0.344 19852 1154 1 2 . 1 1 31 31 LEU N N 31 110.377 110.377 128.057 -17.680 19852 1155 1 2 . 1 1 31 31 LEU C C 31 178.031 178.031 178.820 -0.789 19852 1156 1 2 . 1 1 31 31 LEU CA C 31 55.164 55.164 58.167 -3.003 19852 1157 1 2 . 1 1 31 31 LEU CB C 31 42.281 42.281 41.998 0.283 19852 1158 1 2 . 1 1 31 31 LEU H H 31 7.894 7.894 8.032 -0.138 19852 1159 1 2 . 1 1 32 32 THR N N 32 118.213 118.213 114.374 3.839 19852 1160 1 2 . 1 1 32 32 THR C C 32 178.910 178.910 176.561 2.349 19852 1161 1 2 . 1 1 32 32 THR CA C 32 63.949 63.949 67.459 -3.510 19852 1162 1 2 . 1 1 32 32 THR CB C 32 72.733 72.733 68.128 4.605 19852 1163 1 2 . 1 1 32 32 THR H H 32 7.570 7.570 8.390 -0.820 19852 1164 1 2 . 1 1 33 33 GLY N N 33 127.841 127.841 109.415 18.426 19852 1165 1 2 . 1 1 33 33 GLY C C 33 161.914 161.914 175.580 -13.666 19852 1166 1 2 . 1 1 33 33 GLY CA C 33 42.866 42.866 46.818 -3.952 19852 1167 1 2 . 1 1 33 33 GLY H H 33 9.662 9.662 8.198 1.464 19852 1168 1 2 . 1 1 34 34 GLU N N 34 122.263 122.263 123.054 -0.791 19852 1169 1 2 . 1 1 34 34 GLU C C 34 176.859 176.859 179.459 -2.600 19852 1170 1 2 . 1 1 34 34 GLU CA C 34 51.651 51.651 58.672 -7.021 19852 1171 1 2 . 1 1 34 34 GLU CB C 34 29.397 29.397 29.523 -0.126 19852 1172 1 2 . 1 1 34 34 GLU H H 34 7.140 7.140 7.866 -0.726 19852 1173 1 2 . 1 1 35 35 PHE N N 35 111.838 111.838 119.155 -7.317 19852 1174 1 2 . 1 1 35 35 PHE C C 35 174.221 174.221 177.883 -3.662 19852 1175 1 2 . 1 1 35 35 PHE CA C 35 49.308 49.308 60.938 -11.630 19852 1176 1 2 . 1 1 35 35 PHE CB C 35 41.695 41.695 39.130 2.564 19852 1177 1 2 . 1 1 35 35 PHE H H 35 6.772 6.772 8.027 -1.255 19852 1178 1 2 . 1 1 36 36 GLU N N 36 124.388 124.388 117.105 7.283 19852 1179 1 2 . 1 1 36 36 GLU C C 36 176.859 176.859 175.777 1.082 19852 1180 1 2 . 1 1 36 36 GLU CA C 36 58.092 58.092 56.106 1.986 19852 1181 1 2 . 1 1 36 36 GLU CB C 36 30.568 30.568 29.635 0.933 19852 1182 1 2 . 1 1 36 36 GLU H H 36 7.734 7.734 8.114 -0.380 19852 1183 1 2 . 1 1 37 37 LYS N N 37 118.810 118.810 119.655 -0.845 19852 1184 1 2 . 1 1 37 37 LYS C C 37 172.756 172.756 176.264 -3.508 19852 1185 1 2 . 1 1 37 37 LYS CA C 37 48.137 48.137 56.583 -8.446 19852 1186 1 2 . 1 1 37 37 LYS CB C 37 37.010 37.010 32.770 4.240 19852 1187 1 2 . 1 1 37 37 LYS H H 37 8.509 8.509 7.149 1.360 19852 1188 1 2 . 1 1 38 38 LYS N N 38 108.052 108.052 124.223 -16.171 19852 1189 1 2 . 1 1 38 38 LYS C C 38 176.273 176.273 174.794 1.479 19852 1190 1 2 . 1 1 38 38 LYS CA C 38 59.849 59.849 55.044 4.805 19852 1191 1 2 . 1 1 38 38 LYS CB C 38 34.668 34.668 35.292 -0.624 19852 1192 1 2 . 1 1 38 38 LYS H H 38 7.715 7.715 8.498 -0.783 19852 1193 1 2 . 1 1 39 39 TYR N N 39 108.650 108.650 126.186 -17.536 19852 1194 1 2 . 1 1 39 39 TYR C C 39 175.686 175.686 175.465 0.221 19852 1195 1 2 . 1 1 39 39 TYR CA C 39 61.020 61.020 56.986 4.034 19852 1196 1 2 . 1 1 39 39 TYR CB C 39 36.424 36.424 39.696 -3.272 19852 1197 1 2 . 1 1 39 39 TYR H H 39 7.362 7.362 8.683 -1.321 19852 1198 1 2 . 1 1 40 40 VAL N N 40 117.947 117.947 128.742 -10.795 19852 1199 1 2 . 1 1 40 40 VAL C C 40 175.393 175.393 174.900 0.493 19852 1200 1 2 . 1 1 40 40 VAL CA C 40 61.020 61.020 60.875 0.145 19852 1201 1 2 . 1 1 40 40 VAL CB C 40 31.154 31.154 31.770 -0.616 19852 1202 1 2 . 1 1 40 40 VAL H H 40 8.442 8.442 8.527 -0.085 19852 1203 1 2 . 1 1 42 42 THR N N 42 117.150 117.150 114.103 3.047 19852 1204 1 2 . 1 1 42 42 THR C C 42 178.910 178.910 175.910 3.000 19852 1205 1 2 . 1 1 42 42 THR CA C 42 60.435 60.435 65.325 -4.890 19852 1206 1 2 . 1 1 42 42 THR CB C 42 70.390 70.390 68.577 1.813 19852 1207 1 2 . 1 1 42 42 THR H H 42 8.192 8.192 8.106 0.086 19852 1208 1 2 . 1 1 43 43 LEU N N 43 119.209 119.209 118.993 0.216 19852 1209 1 2 . 1 1 43 43 LEU C C 43 174.807 174.807 176.940 -2.133 19852 1210 1 2 . 1 1 43 43 LEU CA C 43 57.507 57.507 54.824 2.683 19852 1211 1 2 . 1 1 43 43 LEU CB C 43 42.866 42.866 42.198 0.668 19852 1212 1 2 . 1 1 43 43 LEU H H 43 9.260 9.260 7.799 1.461 19852 1213 1 2 . 1 1 44 44 GLY N N 44 114.361 114.361 107.457 6.904 19852 1214 1 2 . 1 1 44 44 GLY C C 44 178.910 178.910 173.275 5.635 19852 1215 1 2 . 1 1 44 44 GLY CA C 44 54.579 54.579 45.742 8.836 19852 1216 1 2 . 1 1 44 44 GLY H H 44 6.979 6.979 7.930 -0.951 19852 1217 1 2 . 1 1 45 45 VAL N N 45 110.244 110.244 118.061 -7.817 19852 1218 1 2 . 1 1 45 45 VAL C C 45 174.807 174.807 174.203 0.604 19852 1219 1 2 . 1 1 45 45 VAL CA C 45 63.363 63.363 60.625 2.738 19852 1220 1 2 . 1 1 45 45 VAL CB C 45 17.099 17.099 35.243 -18.144 19852 1221 1 2 . 1 1 45 45 VAL H H 45 8.309 8.309 7.209 1.100 19852 1222 1 2 . 1 1 46 46 GLU N N 46 130.365 130.365 125.701 4.664 19852 1223 1 2 . 1 1 46 46 GLU C C 46 176.859 176.859 175.263 1.596 19852 1224 1 2 . 1 1 46 46 GLU CA C 46 55.164 55.164 55.378 -0.214 19852 1225 1 2 . 1 1 46 46 GLU CB C 46 32.325 32.325 31.784 0.541 19852 1226 1 2 . 1 1 46 46 GLU H H 46 9.741 9.741 9.182 0.559 19852 1227 1 2 . 1 1 47 47 VAL N N 47 115.623 115.623 125.875 -10.252 19852 1228 1 2 . 1 1 47 47 VAL C C 47 178.324 178.324 175.018 3.306 19852 1229 1 2 . 1 1 47 47 VAL CA C 47 63.363 63.363 61.430 1.933 19852 1230 1 2 . 1 1 47 47 VAL CB C 47 32.911 32.911 32.413 0.499 19852 1231 1 2 . 1 1 47 47 VAL H H 47 7.339 7.339 8.943 -1.604 19852 1232 1 2 . 1 1 48 48 HIS N N 48 129.236 129.236 127.554 1.682 19852 1233 1 2 . 1 1 48 48 HIS C C 48 169.240 169.240 173.218 -3.978 19852 1234 1 2 . 1 1 48 48 HIS CA C 48 49.894 49.894 53.454 -3.560 19852 1235 1 2 . 1 1 48 48 HIS CB C 48 27.640 27.640 32.391 -4.751 19852 1236 1 2 . 1 1 48 48 HIS H H 48 10.390 10.390 9.458 0.932 19852 1237 1 2 . 1 1 49 49 PRO C C 49 176.273 176.273 175.479 0.794 19852 1238 1 2 . 1 1 49 49 PRO CA C 49 62.500 62.500 62.777 -0.277 19852 1239 1 2 . 1 1 49 49 PRO CB C 49 29.974 29.974 31.502 -1.528 19852 1240 1 2 . 1 1 50 50 LEU N N 50 119.408 119.408 128.913 -9.505 19852 1241 1 2 . 1 1 50 50 LEU C C 50 177.445 177.445 175.299 2.146 19852 1242 1 2 . 1 1 50 50 LEU CA C 50 59.264 59.264 54.041 5.223 19852 1243 1 2 . 1 1 50 50 LEU CB C 50 42.281 42.281 42.586 -0.305 19852 1244 1 2 . 1 1 50 50 LEU H H 50 7.492 7.492 8.855 -1.363 19852 1245 1 2 . 1 1 51 51 VAL N N 51 117.947 117.947 124.431 -6.484 19852 1246 1 2 . 1 1 51 51 VAL C C 51 174.514 174.514 174.842 -0.328 19852 1247 1 2 . 1 1 51 51 VAL CA C 51 64.534 64.534 61.688 2.846 19852 1248 1 2 . 1 1 51 51 VAL CB C 51 37.010 37.010 32.815 4.195 19852 1249 1 2 . 1 1 51 51 VAL H H 51 7.715 7.715 7.917 -0.202 19852 1250 1 2 . 1 1 52 52 PHE N N 52 124.853 124.853 125.480 -0.627 19852 1251 1 2 . 1 1 52 52 PHE C C 52 175.100 175.100 173.851 1.249 19852 1252 1 2 . 1 1 52 52 PHE CA C 52 56.336 56.336 55.978 0.358 19852 1253 1 2 . 1 1 52 52 PHE CB C 52 39.938 39.938 41.852 -1.914 19852 1254 1 2 . 1 1 52 52 PHE H H 52 8.935 8.935 8.853 0.082 19852 1255 1 2 . 1 1 53 53 HIS N N 53 120.603 120.603 122.925 -2.322 19852 1256 1 2 . 1 1 53 53 HIS C C 53 170.119 170.119 175.024 -4.905 19852 1257 1 2 . 1 1 53 53 HIS CA C 53 55.164 55.164 55.343 -0.179 19852 1258 1 2 . 1 1 53 53 HIS CB C 53 30.568 30.568 30.744 -0.176 19852 1259 1 2 . 1 1 53 53 HIS H H 53 8.356 8.356 8.992 -0.636 19852 1260 1 2 . 1 1 54 54 THR N N 54 112.634 112.634 116.274 -3.640 19852 1261 1 2 . 1 1 54 54 THR C C 54 178.910 178.910 176.949 1.961 19852 1262 1 2 . 1 1 54 54 THR CA C 54 63.363 63.363 59.200 4.163 19852 1263 1 2 . 1 1 54 54 THR CB C 54 72.733 72.733 71.701 1.032 19852 1264 1 2 . 1 1 54 54 THR H H 54 7.574 7.574 8.472 -0.898 19852 1265 1 2 . 1 1 55 55 ASN N N 55 131.095 131.095 120.505 10.590 19852 1266 1 2 . 1 1 55 55 ASN C C 55 176.273 176.273 176.596 -0.323 19852 1267 1 2 . 1 1 55 55 ASN CA C 55 51.065 51.065 55.837 -4.772 19852 1268 1 2 . 1 1 55 55 ASN CB C 55 37.010 37.010 38.243 -1.233 19852 1269 1 2 . 1 1 55 55 ASN H H 55 10.187 10.187 8.784 1.403 19852 1270 1 2 . 1 1 56 56 ARG N N 56 122.064 122.064 119.220 2.844 19852 1271 1 2 . 1 1 56 56 ARG C C 56 175.100 175.100 175.980 -0.880 19852 1272 1 2 . 1 1 56 56 ARG CA C 56 61.606 61.606 55.868 5.738 19852 1273 1 2 . 1 1 56 56 ARG CB C 56 32.911 32.911 30.748 2.163 19852 1274 1 2 . 1 1 56 56 ARG H H 56 7.433 7.433 7.799 -0.366 19852 1275 1 2 . 1 1 57 57 GLY N N 57 127.709 127.709 108.188 19.521 19852 1276 1 2 . 1 1 57 57 GLY C C 57 175.979 175.979 172.154 3.825 19852 1277 1 2 . 1 1 57 57 GLY CA C 57 42.281 42.281 44.264 -1.983 19852 1278 1 2 . 1 1 57 57 GLY H H 57 9.373 9.373 7.707 1.666 19852 1279 1 2 . 1 1 58 58 PRO C C 58 177.152 177.152 175.851 1.301 19852 1280 1 2 . 1 1 58 58 PRO CA C 58 65.137 65.137 63.035 2.102 19852 1281 1 2 . 1 1 58 58 PRO CB C 58 29.095 29.095 32.312 -3.217 19852 1282 1 2 . 1 1 59 59 ILE N N 59 128.638 128.638 122.333 6.305 19852 1283 1 2 . 1 1 59 59 ILE C C 59 175.979 175.979 174.663 1.316 19852 1284 1 2 . 1 1 59 59 ILE CA C 59 65.120 65.120 60.304 4.816 19852 1285 1 2 . 1 1 59 59 ILE CB C 59 40.524 40.524 41.699 -1.175 19852 1286 1 2 . 1 1 59 59 ILE H H 59 8.794 8.794 8.946 -0.152 19852 1287 1 2 . 1 1 60 60 LYS N N 60 115.756 115.756 125.188 -9.432 19852 1288 1 2 . 1 1 60 60 LYS C C 60 175.979 175.979 175.479 0.500 19852 1289 1 2 . 1 1 60 60 LYS CA C 60 56.921 56.921 54.529 2.393 19852 1290 1 2 . 1 1 60 60 LYS CB C 60 32.325 32.325 34.873 -2.548 19852 1291 1 2 . 1 1 60 60 LYS H H 60 7.253 7.253 8.883 -1.630 19852 1292 1 2 . 1 1 61 61 PHE N N 61 120.670 120.670 123.794 -3.124 19852 1293 1 2 . 1 1 61 61 PHE C C 61 175.393 175.393 175.249 0.144 19852 1294 1 2 . 1 1 61 61 PHE CA C 61 57.507 57.507 56.851 0.656 19852 1295 1 2 . 1 1 61 61 PHE CB C 61 41.109 41.109 41.141 -0.032 19852 1296 1 2 . 1 1 61 61 PHE H H 61 7.515 7.515 9.443 -1.928 19852 1297 1 2 . 1 1 62 62 ASN N N 62 119.076 119.076 124.658 -5.582 19852 1298 1 2 . 1 1 62 62 ASN C C 62 175.100 175.100 174.661 0.439 19852 1299 1 2 . 1 1 62 62 ASN CA C 62 53.407 53.407 53.302 0.105 19852 1300 1 2 . 1 1 62 62 ASN CB C 62 38.767 38.767 39.117 -0.350 19852 1301 1 2 . 1 1 62 62 ASN H H 62 7.558 7.558 9.379 -1.821 19852 1302 1 2 . 1 1 63 63 VAL N N 63 106.127 106.127 125.606 -19.479 19852 1303 1 2 . 1 1 63 63 VAL C C 63 175.100 175.100 175.783 -0.683 19852 1304 1 2 . 1 1 63 63 VAL CA C 63 61.020 61.020 62.693 -1.673 19852 1305 1 2 . 1 1 63 63 VAL CB C 63 31.154 31.154 32.595 -1.441 19852 1306 1 2 . 1 1 63 63 VAL H H 63 8.113 8.113 9.197 -1.084 19852 1307 1 2 . 1 1 64 64 TRP N N 64 129.302 129.302 130.143 -0.841 19852 1308 1 2 . 1 1 64 64 TRP C C 64 177.152 177.152 175.356 1.796 19852 1309 1 2 . 1 1 64 64 TRP CA C 64 59.264 59.264 55.383 3.881 19852 1310 1 2 . 1 1 64 64 TRP CB C 64 29.397 29.397 29.468 -0.071 19852 1311 1 2 . 1 1 64 64 TRP H H 64 8.970 8.970 9.587 -0.617 19852 1312 1 2 . 1 1 65 65 ASP N N 65 119.607 119.607 123.405 -3.798 19852 1313 1 2 . 1 1 65 65 ASP C C 65 174.514 174.514 176.101 -1.587 19852 1314 1 2 . 1 1 65 65 ASP CA C 65 55.164 55.164 52.716 2.448 19852 1315 1 2 . 1 1 65 65 ASP CB C 65 41.109 41.109 45.082 -3.973 19852 1316 1 2 . 1 1 65 65 ASP H H 65 8.638 8.638 9.317 -0.679 19852 1317 1 2 . 1 1 66 66 THR N N 66 122.463 122.463 115.799 6.664 19852 1318 1 2 . 1 1 66 66 THR C C 66 178.617 178.617 174.554 4.063 19852 1319 1 2 . 1 1 66 66 THR CA C 66 68.048 68.048 61.493 6.555 19852 1320 1 2 . 1 1 66 66 THR CB C 66 71.562 71.562 69.989 1.573 19852 1321 1 2 . 1 1 66 66 THR H H 66 8.293 8.293 8.468 -0.175 19852 1322 1 2 . 1 1 67 67 ALA N N 67 104.865 104.865 123.658 -18.793 19852 1323 1 2 . 1 1 67 67 ALA C C 67 177.738 177.738 177.517 0.221 19852 1324 1 2 . 1 1 67 67 ALA CA C 67 48.722 48.722 51.757 -3.035 19852 1325 1 2 . 1 1 67 67 ALA CB C 67 14.171 14.171 18.783 -4.612 19852 1326 1 2 . 1 1 67 67 ALA H H 67 8.657 8.657 8.411 0.246 19852 1327 1 2 . 1 1 68 68 GLY N N 68 115.357 115.357 107.567 7.790 19852 1328 1 2 . 1 1 68 68 GLY C C 68 189.533 189.533 176.075 13.458 19852 1329 1 2 . 1 1 68 68 GLY CA C 68 45.209 45.209 45.301 -0.092 19852 1330 1 2 . 1 1 68 68 GLY H H 68 10.969 10.969 7.624 3.345 19852 1331 1 2 . 1 1 69 69 GLN N N 69 110.111 110.111 119.097 -8.986 19852 1332 1 2 . 1 1 69 69 GLN C C 69 176.859 176.859 176.800 0.059 19852 1333 1 2 . 1 1 69 69 GLN CA C 69 55.750 55.750 58.428 -2.678 19852 1334 1 2 . 1 1 69 69 GLN CB C 69 27.640 27.640 28.018 -0.379 19852 1335 1 2 . 1 1 69 69 GLN H H 69 8.344 8.344 8.496 -0.152 19852 1336 1 2 . 1 1 70 70 GLU N N 70 114.826 114.826 117.248 -2.422 19852 1337 1 2 . 1 1 70 70 GLU C C 70 176.273 176.273 178.253 -1.980 19852 1338 1 2 . 1 1 70 70 GLU CA C 70 57.507 57.507 58.380 -0.873 19852 1339 1 2 . 1 1 70 70 GLU CB C 70 28.811 28.811 29.108 -0.297 19852 1340 1 2 . 1 1 70 70 GLU H H 70 9.651 9.651 8.449 1.202 19852 1341 1 2 . 1 1 71 71 LYS N N 71 116.685 116.685 118.406 -1.721 19852 1342 1 2 . 1 1 71 71 LYS C C 71 175.979 175.979 178.189 -2.210 19852 1343 1 2 . 1 1 71 71 LYS CA C 71 48.722 48.722 58.495 -9.773 19852 1344 1 2 . 1 1 71 71 LYS CB C 71 37.010 37.010 32.737 4.272 19852 1345 1 2 . 1 1 71 71 LYS H H 71 8.712 8.712 7.535 1.177 19852 1346 1 2 . 1 1 72 72 PHE N N 72 114.959 114.959 114.442 0.517 19852 1347 1 2 . 1 1 72 72 PHE C C 72 175.686 175.686 176.025 -0.339 19852 1348 1 2 . 1 1 72 72 PHE CA C 72 56.336 56.336 57.287 -0.951 19852 1349 1 2 . 1 1 72 72 PHE CB C 72 36.424 36.424 39.661 -3.237 19852 1350 1 2 . 1 1 72 72 PHE H H 72 7.965 7.965 7.232 0.733 19852 1351 1 2 . 1 1 73 73 GLY N N 73 117.084 117.084 107.695 9.389 19852 1352 1 2 . 1 1 73 73 GLY C C 73 168.068 168.068 172.420 -4.352 19852 1353 1 2 . 1 1 73 73 GLY CA C 73 42.281 42.281 45.141 -2.860 19852 1354 1 2 . 1 1 73 73 GLY H H 73 7.609 7.609 7.357 0.252 19852 1355 1 2 . 1 1 74 74 GLY N N 74 120.537 120.537 105.772 14.765 19852 1356 1 2 . 1 1 74 74 GLY C C 74 174.514 174.514 174.109 0.405 19852 1357 1 2 . 1 1 74 74 GLY CA C 74 44.037 44.037 43.994 0.043 19852 1358 1 2 . 1 1 74 74 GLY H H 74 9.326 9.326 8.330 0.996 19852 1359 1 2 . 1 1 75 75 LEU N N 75 127.177 127.177 120.657 6.520 19852 1360 1 2 . 1 1 75 75 LEU C C 75 178.617 178.617 177.494 1.123 19852 1361 1 2 . 1 1 75 75 LEU CA C 75 53.407 53.407 54.105 -0.698 19852 1362 1 2 . 1 1 75 75 LEU CB C 75 42.281 42.281 43.231 -0.950 19852 1363 1 2 . 1 1 75 75 LEU H H 75 7.628 7.628 8.659 -1.031 19852 1364 1 2 . 1 1 76 76 ARG N N 76 116.486 116.486 122.703 -6.217 19852 1365 1 2 . 1 1 76 76 ARG C C 76 176.859 176.859 176.940 -0.081 19852 1366 1 2 . 1 1 76 76 ARG CA C 76 59.264 59.264 56.266 2.998 19852 1367 1 2 . 1 1 76 76 ARG CB C 76 31.154 31.154 31.092 0.062 19852 1368 1 2 . 1 1 76 76 ARG H H 76 7.143 7.143 8.571 -1.428 19852 1369 1 2 . 1 1 77 77 ASP N N 77 129.236 129.236 122.009 7.227 19852 1370 1 2 . 1 1 77 77 ASP C C 77 177.152 177.152 178.551 -1.399 19852 1371 1 2 . 1 1 77 77 ASP CA C 77 52.822 52.822 57.836 -5.014 19852 1372 1 2 . 1 1 77 77 ASP CB C 77 41.695 41.695 40.595 1.100 19852 1373 1 2 . 1 1 77 77 ASP H H 77 8.947 8.947 8.922 0.025 19852 1374 1 2 . 1 1 78 78 GLY N N 78 127.244 127.244 107.421 19.823 19852 1375 1 2 . 1 1 78 78 GLY C C 78 173.928 173.928 175.338 -1.410 19852 1376 1 2 . 1 1 78 78 GLY CA C 78 44.623 44.623 47.013 -2.390 19852 1377 1 2 . 1 1 78 78 GLY H H 78 8.219 8.219 8.608 -0.389 19852 1378 1 2 . 1 1 79 79 TYR N N 79 120.537 120.537 120.991 -0.454 19852 1379 1 2 . 1 1 79 79 TYR C C 79 176.273 176.273 176.461 -0.188 19852 1380 1 2 . 1 1 79 79 TYR CA C 79 58.678 58.678 60.893 -2.215 19852 1381 1 2 . 1 1 79 79 TYR CB C 79 40.524 40.524 38.701 1.823 19852 1382 1 2 . 1 1 79 79 TYR H H 79 8.563 8.563 7.628 0.935 19852 1383 1 2 . 1 1 80 80 TYR N N 80 115.822 115.822 114.677 1.145 19852 1384 1 2 . 1 1 80 80 TYR C C 80 175.979 175.979 176.512 -0.533 19852 1385 1 2 . 1 1 80 80 TYR CA C 80 58.092 58.092 59.617 -1.525 19852 1386 1 2 . 1 1 80 80 TYR CB C 80 38.181 38.181 38.532 -0.351 19852 1387 1 2 . 1 1 80 80 TYR H H 80 7.194 7.194 7.332 -0.138 19852 1388 1 2 . 1 1 81 81 ILE N N 81 120.072 120.072 119.213 0.859 19852 1389 1 2 . 1 1 81 81 ILE C C 81 177.445 177.445 175.786 1.659 19852 1390 1 2 . 1 1 81 81 ILE CA C 81 67.462 67.462 63.630 3.832 19852 1391 1 2 . 1 1 81 81 ILE CB C 81 41.109 41.109 37.765 3.344 19852 1392 1 2 . 1 1 81 81 ILE H H 81 8.837 8.837 7.965 0.872 19852 1393 1 2 . 1 1 82 82 GLN N N 82 109.580 109.580 118.720 -9.140 19852 1394 1 2 . 1 1 82 82 GLN C C 82 177.152 177.152 174.771 2.381 19852 1395 1 2 . 1 1 82 82 GLN CA C 82 56.336 56.336 56.464 -0.128 19852 1396 1 2 . 1 1 82 82 GLN CB C 82 24.126 24.126 26.455 -2.329 19852 1397 1 2 . 1 1 82 82 GLN H H 82 8.493 8.493 8.823 -0.330 19852 1398 1 2 . 1 1 83 83 ALA N N 83 109.713 109.713 120.847 -11.134 19852 1399 1 2 . 1 1 83 83 ALA C C 83 175.979 175.979 177.130 -1.151 19852 1400 1 2 . 1 1 83 83 ALA CA C 83 54.579 54.579 52.838 1.741 19852 1401 1 2 . 1 1 83 83 ALA CB C 83 16.513 16.513 19.330 -2.817 19852 1402 1 2 . 1 1 83 83 ALA H H 83 6.306 6.306 7.482 -1.176 19852 1403 1 2 . 1 1 84 84 GLN N N 84 131.380 131.380 122.838 8.542 19852 1404 1 2 . 1 1 84 84 GLN C C 84 175.686 175.686 176.206 -0.520 19852 1405 1 2 . 1 1 84 84 GLN CA C 84 51.065 51.065 56.894 -5.829 19852 1406 1 2 . 1 1 84 84 GLN CB C 84 32.325 32.325 31.001 1.324 19852 1407 1 2 . 1 1 84 84 GLN H H 84 11.169 11.169 8.515 2.654 19852 1408 1 2 . 1 1 85 85 CYS N N 85 124.322 124.322 111.902 12.420 19852 1409 1 2 . 1 1 85 85 CYS C C 85 173.049 173.049 172.669 0.380 19852 1410 1 2 . 1 1 85 85 CYS CA C 85 57.507 57.507 56.071 1.436 19852 1411 1 2 . 1 1 85 85 CYS CB C 85 35.253 35.253 31.709 3.544 19852 1412 1 2 . 1 1 85 85 CYS H H 85 8.602 8.602 7.985 0.617 19852 1413 1 2 . 1 1 86 86 ALA N N 86 114.295 114.295 121.564 -7.269 19852 1414 1 2 . 1 1 86 86 ALA CA C 86 57.507 57.507 50.824 6.683 19852 1415 1 2 . 1 1 86 86 ALA CB C 86 21.784 21.784 22.722 -0.938 19852 1416 1 2 . 1 1 86 86 ALA H H 86 6.897 6.897 8.845 -1.948 19852 1417 1 2 . 1 1 87 87 ILE N N 87 120.670 120.670 120.343 0.327 19852 1418 1 2 . 1 1 87 87 ILE C C 87 173.928 173.928 174.718 -0.790 19852 1419 1 2 . 1 1 87 87 ILE CA C 87 61.020 61.020 59.881 1.139 19852 1420 1 2 . 1 1 87 87 ILE CB C 87 39.938 39.938 41.319 -1.381 19852 1421 1 2 . 1 1 87 87 ILE H H 87 8.282 8.282 8.583 -0.301 19852 1422 1 2 . 1 1 88 88 ILE N N 88 120.205 120.205 127.068 -6.863 19852 1423 1 2 . 1 1 88 88 ILE C C 88 173.635 173.635 175.095 -1.460 19852 1424 1 2 . 1 1 88 88 ILE CA C 88 64.534 64.534 60.001 4.533 19852 1425 1 2 . 1 1 88 88 ILE CB C 88 37.596 37.596 40.036 -2.440 19852 1426 1 2 . 1 1 88 88 ILE H H 88 5.528 5.528 8.902 -3.374 19852 1427 1 2 . 1 1 89 89 MET N N 89 119.209 119.209 126.029 -6.820 19852 1428 1 2 . 1 1 89 89 MET C C 89 176.566 176.566 175.543 1.023 19852 1429 1 2 . 1 1 89 89 MET CA C 89 56.921 56.921 54.186 2.735 19852 1430 1 2 . 1 1 89 89 MET CB C 89 34.668 34.668 35.277 -0.609 19852 1431 1 2 . 1 1 89 89 MET H H 89 8.164 8.164 8.824 -0.660 19852 1432 1 2 . 1 1 90 90 PHE N N 90 121.134 121.134 119.414 1.720 19852 1433 1 2 . 1 1 90 90 PHE C C 90 175.393 175.393 173.081 2.312 19852 1434 1 2 . 1 1 90 90 PHE CA C 90 60.435 60.435 55.175 5.260 19852 1435 1 2 . 1 1 90 90 PHE CB C 90 38.767 38.767 42.202 -3.435 19852 1436 1 2 . 1 1 90 90 PHE H H 90 9.334 9.334 8.887 0.447 19852 1437 1 2 . 1 1 91 91 ASP N N 91 125.185 125.185 120.512 4.673 19852 1438 1 2 . 1 1 91 91 ASP C C 91 176.566 176.566 178.137 -1.571 19852 1439 1 2 . 1 1 91 91 ASP CA C 91 52.822 52.822 51.989 0.833 19852 1440 1 2 . 1 1 91 91 ASP CB C 91 39.938 39.938 43.249 -3.311 19852 1441 1 2 . 1 1 91 91 ASP H H 91 9.056 9.056 8.615 0.441 19852 1442 1 2 . 1 1 92 92 VAL N N 92 115.158 115.158 123.177 -8.019 19852 1443 1 2 . 1 1 92 92 VAL C C 92 173.342 173.342 176.489 -3.147 19852 1444 1 2 . 1 1 92 92 VAL CA C 92 64.534 64.534 64.638 -0.104 19852 1445 1 2 . 1 1 92 92 VAL CB C 92 37.596 37.596 31.255 6.341 19852 1446 1 2 . 1 1 92 92 VAL H H 92 7.738 7.738 8.704 -0.966 19852 1447 1 2 . 1 1 93 93 THR N N 93 112.302 112.302 110.685 1.617 19852 1448 1 2 . 1 1 93 93 THR C C 93 177.152 177.152 174.996 2.156 19852 1449 1 2 . 1 1 93 93 THR CA C 93 64.534 64.534 62.815 1.719 19852 1450 1 2 . 1 1 93 93 THR CB C 93 72.147 72.147 69.369 2.778 19852 1451 1 2 . 1 1 93 93 THR H H 93 7.269 7.269 8.368 -1.099 19852 1452 1 2 . 1 1 94 94 SER N N 94 122.263 122.263 117.941 4.322 19852 1453 1 2 . 1 1 94 94 SER C C 94 163.965 163.965 174.214 -10.249 19852 1454 1 2 . 1 1 94 94 SER CA C 94 59.849 59.849 57.173 2.675 19852 1455 1 2 . 1 1 94 94 SER CB C 94 62.192 62.192 65.146 -2.954 19852 1456 1 2 . 1 1 94 94 SER H H 94 7.628 7.628 7.822 -0.194 19852 1457 1 2 . 1 1 95 95 ARG N N 95 113.099 113.099 126.231 -13.132 19852 1458 1 2 . 1 1 95 95 ARG C C 95 176.273 176.273 177.720 -1.447 19852 1459 1 2 . 1 1 95 95 ARG CA C 95 53.407 53.407 60.017 -6.610 19852 1460 1 2 . 1 1 95 95 ARG CB C 95 31.154 31.154 29.897 1.257 19852 1461 1 2 . 1 1 95 95 ARG H H 95 8.102 8.102 8.966 -0.864 19852 1462 1 2 . 1 1 96 96 VAL N N 96 124.787 124.787 118.084 6.703 19852 1463 1 2 . 1 1 96 96 VAL C C 96 178.031 178.031 177.728 0.303 19852 1464 1 2 . 1 1 96 96 VAL CA C 96 68.634 68.634 66.686 1.948 19852 1465 1 2 . 1 1 96 96 VAL CB C 96 24.126 24.126 31.060 -6.934 19852 1466 1 2 . 1 1 96 96 VAL H H 96 9.146 9.146 8.267 0.879 19852 1467 1 2 . 1 1 97 97 THR N N 97 111.970 111.970 112.674 -0.704 19852 1468 1 2 . 1 1 97 97 THR C C 97 178.031 178.031 175.685 2.346 19852 1469 1 2 . 1 1 97 97 THR CA C 97 63.949 63.949 65.461 -1.512 19852 1470 1 2 . 1 1 97 97 THR CB C 97 70.390 70.390 68.898 1.492 19852 1471 1 2 . 1 1 97 97 THR H H 97 7.984 7.984 7.644 0.340 19852 1472 1 2 . 1 1 98 98 TYR N N 98 113.232 113.232 122.126 -8.894 19852 1473 1 2 . 1 1 98 98 TYR C C 98 176.273 176.273 177.606 -1.333 19852 1474 1 2 . 1 1 98 98 TYR H H 98 7.605 7.605 7.531 0.074 19852 1475 1 2 . 1 1 99 99 LYS N N 99 121.998 121.998 118.534 3.464 19852 1476 1 2 . 1 1 99 99 LYS C C 99 174.221 174.221 178.254 -4.033 19852 1477 1 2 . 1 1 99 99 LYS CA C 99 59.264 59.264 59.283 -0.019 19852 1478 1 2 . 1 1 99 99 LYS CB C 99 34.668 34.668 32.029 2.639 19852 1479 1 2 . 1 1 99 99 LYS H H 99 8.129 8.129 7.849 0.280 19852 1480 1 2 . 1 1 100 100 ASN N N 100 111.970 111.970 115.817 -3.847 19852 1481 1 2 . 1 1 100 100 ASN C C 100 175.979 175.979 176.463 -0.484 19852 1482 1 2 . 1 1 100 100 ASN CA C 100 53.407 53.407 54.592 -1.185 19852 1483 1 2 . 1 1 100 100 ASN CB C 100 37.596 37.596 38.606 -1.010 19852 1484 1 2 . 1 1 100 100 ASN H H 100 5.778 5.778 7.761 -1.983 19852 1485 1 2 . 1 1 101 101 VAL N N 101 118.877 118.877 121.881 -3.004 19852 1486 1 2 . 1 1 101 101 VAL C C 101 173.635 173.635 175.004 -1.369 19852 1487 1 2 . 1 1 101 101 VAL CA C 101 62.777 62.777 68.351 -5.574 19852 1488 1 2 . 1 1 101 101 VAL CB C 101 27.054 27.054 29.317 -2.263 19852 1489 1 2 . 1 1 101 101 VAL H H 101 7.370 7.370 7.455 -0.085 19852 1490 1 2 . 1 1 102 102 PRO C C 102 176.566 176.566 178.377 -1.811 19852 1491 1 2 . 1 1 102 102 PRO CA C 102 62.500 62.500 66.245 -3.745 19852 1492 1 2 . 1 1 102 102 PRO CB C 102 30.853 30.853 30.859 -0.006 19852 1493 1 2 . 1 1 103 103 ASN N N 103 122.728 122.728 116.851 5.877 19852 1494 1 2 . 1 1 103 103 ASN C C 103 175.100 175.100 177.517 -2.417 19852 1495 1 2 . 1 1 103 103 ASN CA C 103 54.579 54.579 55.872 -1.293 19852 1496 1 2 . 1 1 103 103 ASN CB C 103 38.767 38.767 37.625 1.142 19852 1497 1 2 . 1 1 103 103 ASN H H 103 7.879 7.879 7.508 0.371 19852 1498 1 2 . 1 1 104 104 TRP N N 104 132.158 132.158 121.026 11.132 19852 1499 1 2 . 1 1 104 104 TRP C C 104 176.273 176.273 179.069 -2.796 19852 1500 1 2 . 1 1 104 104 TRP CA C 104 60.435 60.435 60.773 -0.338 19852 1501 1 2 . 1 1 104 104 TRP CB C 104 29.983 29.983 29.328 0.655 19852 1502 1 2 . 1 1 104 104 TRP H H 104 9.541 9.541 7.911 1.630 19852 1503 1 2 . 1 1 105 105 HIS N N 105 120.869 120.869 118.786 2.083 19852 1504 1 2 . 1 1 105 105 HIS C C 105 177.738 177.738 177.584 0.154 19852 1505 1 2 . 1 1 105 105 HIS H H 105 6.971 6.971 8.608 -1.637 19852 1506 1 2 . 1 1 106 106 ARG N N 106 126.314 126.314 118.845 7.469 19852 1507 1 2 . 1 1 106 106 ARG C C 106 176.566 176.566 178.724 -2.158 19852 1508 1 2 . 1 1 106 106 ARG CA C 106 62.777 62.777 60.007 2.770 19852 1509 1 2 . 1 1 106 106 ARG CB C 106 29.397 29.397 30.027 -0.630 19852 1510 1 2 . 1 1 106 106 ARG H H 106 7.507 7.507 8.278 -0.771 19852 1511 1 2 . 1 1 107 107 ASP N N 107 119.076 119.076 120.165 -1.089 19852 1512 1 2 . 1 1 107 107 ASP C C 107 176.566 176.566 178.394 -1.828 19852 1513 1 2 . 1 1 107 107 ASP CA C 107 55.164 55.164 56.977 -1.813 19852 1514 1 2 . 1 1 107 107 ASP CB C 107 41.695 41.695 40.392 1.304 19852 1515 1 2 . 1 1 107 107 ASP H H 107 9.076 9.076 7.959 1.117 19852 1516 1 2 . 1 1 108 108 LEU N N 108 113.299 113.299 120.533 -7.234 19852 1517 1 2 . 1 1 108 108 LEU C C 108 176.273 176.273 178.270 -1.997 19852 1518 1 2 . 1 1 108 108 LEU CA C 108 59.264 59.264 57.685 1.579 19852 1519 1 2 . 1 1 108 108 LEU CB C 108 48.722 48.722 41.916 6.806 19852 1520 1 2 . 1 1 108 108 LEU H H 108 6.725 6.725 7.881 -1.156 19852 1521 1 2 . 1 1 109 109 VAL N N 109 121.267 121.267 115.921 5.346 19852 1522 1 2 . 1 1 109 109 VAL C C 109 175.393 175.393 177.758 -2.365 19852 1523 1 2 . 1 1 109 109 VAL CA C 109 63.949 63.949 64.668 -0.719 19852 1524 1 2 . 1 1 109 109 VAL CB C 109 32.911 32.911 31.156 1.755 19852 1525 1 2 . 1 1 109 109 VAL H H 109 8.763 8.763 7.947 0.816 19852 1526 1 2 . 1 1 110 110 ARG N N 110 112.900 112.900 118.781 -5.881 19852 1527 1 2 . 1 1 110 110 ARG C C 110 176.273 176.273 178.277 -2.004 19852 1528 1 2 . 1 1 110 110 ARG CA C 110 57.507 57.507 58.899 -1.392 19852 1529 1 2 . 1 1 110 110 ARG CB C 110 30.568 30.568 30.225 0.343 19852 1530 1 2 . 1 1 110 110 ARG H H 110 7.241 7.241 7.556 -0.315 19852 1531 1 2 . 1 1 111 111 VAL N N 111 115.556 115.556 116.866 -1.310 19852 1532 1 2 . 1 1 111 111 VAL C C 111 177.445 177.445 176.377 1.068 19852 1533 1 2 . 1 1 111 111 VAL CA C 111 59.849 59.849 65.352 -5.503 19852 1534 1 2 . 1 1 111 111 VAL CB C 111 32.911 32.911 32.556 0.355 19852 1535 1 2 . 1 1 111 111 VAL H H 111 7.566 7.566 7.390 0.176 19852 1536 1 2 . 1 1 112 112 CYS N N 112 114.295 114.295 119.881 -5.586 19852 1537 1 2 . 1 1 112 112 CYS C C 112 169.826 169.826 173.425 -3.599 19852 1538 1 2 . 1 1 112 112 CYS CA C 112 57.507 57.507 57.848 -0.341 19852 1539 1 2 . 1 1 112 112 CYS CB C 112 35.839 35.839 28.875 6.964 19852 1540 1 2 . 1 1 112 112 CYS H H 112 7.425 7.425 8.231 -0.806 19852 1541 1 2 . 1 1 113 113 GLU N N 113 116.486 116.486 126.412 -9.926 19852 1542 1 2 . 1 1 113 113 GLU C C 113 176.566 176.566 175.758 0.808 19852 1543 1 2 . 1 1 113 113 GLU CA C 113 69.219 69.219 56.954 12.265 19852 1544 1 2 . 1 1 113 113 GLU CB C 113 30.568 30.568 30.181 0.387 19852 1545 1 2 . 1 1 113 113 GLU H H 113 7.241 7.241 8.693 -1.452 19852 1546 1 2 . 1 1 114 114 ASN N N 114 129.302 129.302 116.671 12.631 19852 1547 1 2 . 1 1 114 114 ASN C C 114 175.100 175.100 174.853 0.247 19852 1548 1 2 . 1 1 114 114 ASN CA C 114 52.236 52.236 54.078 -1.842 19852 1549 1 2 . 1 1 114 114 ASN CB C 114 39.938 39.938 37.202 2.736 19852 1550 1 2 . 1 1 114 114 ASN H H 114 8.919 8.919 8.590 0.329 19852 1551 1 2 . 1 1 115 115 ILE N N 115 110.443 110.443 115.713 -5.270 19852 1552 1 2 . 1 1 115 115 ILE C C 115 175.100 175.100 174.034 1.066 19852 1553 1 2 . 1 1 115 115 ILE CA C 115 65.705 65.705 58.218 7.487 19852 1554 1 2 . 1 1 115 115 ILE CB C 115 39.353 39.353 38.789 0.564 19852 1555 1 2 . 1 1 115 115 ILE H H 115 9.287 9.287 7.593 1.694 19852 1556 1 2 . 1 1 116 116 PRO C C 116 175.979 175.979 175.658 0.321 19852 1557 1 2 . 1 1 116 116 PRO CA C 116 63.086 63.086 63.035 0.051 19852 1558 1 2 . 1 1 116 116 PRO CB C 116 29.681 29.681 32.612 -2.931 19852 1559 1 2 . 1 1 117 117 ILE N N 117 123.591 123.591 122.989 0.602 19852 1560 1 2 . 1 1 117 117 ILE C C 117 174.807 174.807 175.077 -0.270 19852 1561 1 2 . 1 1 117 117 ILE CA C 117 66.291 66.291 60.276 6.015 19852 1562 1 2 . 1 1 117 117 ILE CB C 117 38.767 38.767 42.393 -3.626 19852 1563 1 2 . 1 1 117 117 ILE H H 117 7.781 7.781 8.584 -0.803 19852 1564 1 2 . 1 1 118 118 VAL N N 118 119.009 119.009 125.397 -6.388 19852 1565 1 2 . 1 1 118 118 VAL C C 118 178.324 178.324 174.617 3.707 19852 1566 1 2 . 1 1 118 118 VAL CA C 118 62.777 62.777 60.858 1.919 19852 1567 1 2 . 1 1 118 118 VAL CB C 118 31.154 31.154 33.794 -2.640 19852 1568 1 2 . 1 1 118 118 VAL H H 118 8.767 8.767 8.711 0.056 19852 1569 1 2 . 1 1 119 119 LEU N N 119 119.408 119.408 126.417 -7.009 19852 1570 1 2 . 1 1 119 119 LEU C C 119 178.031 178.031 176.085 1.946 19852 1571 1 2 . 1 1 119 119 LEU CA C 119 42.866 42.866 53.435 -10.569 19852 1572 1 2 . 1 1 119 119 LEU CB C 119 38.767 38.767 44.080 -5.313 19852 1573 1 2 . 1 1 119 119 LEU H H 119 7.734 7.734 9.014 -1.280 19852 1574 1 2 . 1 1 120 120 CYS N N 120 113.232 113.232 121.524 -8.292 19852 1575 1 2 . 1 1 120 120 CYS C C 120 178.031 178.031 174.186 3.845 19852 1576 1 2 . 1 1 120 120 CYS H H 120 8.317 8.317 9.155 -0.838 19852 1577 1 2 . 1 1 121 121 GLY N N 121 117.349 117.349 112.379 4.970 19852 1578 1 2 . 1 1 121 121 GLY C C 121 176.851 176.851 172.797 4.054 19852 1579 1 2 . 1 1 121 121 GLY CA C 121 41.109 41.109 43.329 -2.220 19852 1580 1 2 . 1 1 121 121 GLY H H 121 7.515 7.515 8.616 -1.101 19852 1581 1 2 . 1 1 122 122 ASN N N 122 125.318 125.318 123.733 1.585 19852 1582 1 2 . 1 1 122 122 ASN C C 122 175.686 175.686 175.601 0.085 19852 1583 1 2 . 1 1 122 122 ASN CA C 122 50.479 50.479 50.499 -0.021 19852 1584 1 2 . 1 1 122 122 ASN CB C 122 39.353 39.353 41.492 -2.139 19852 1585 1 2 . 1 1 122 122 ASN H H 122 9.162 9.162 8.704 0.458 19852 1586 1 2 . 1 1 123 123 LYS N N 123 124.920 124.920 114.535 10.385 19852 1587 1 2 . 1 1 123 123 LYS C C 123 176.566 176.566 177.735 -1.169 19852 1588 1 2 . 1 1 123 123 LYS CA C 123 70.976 70.976 57.520 13.456 19852 1589 1 2 . 1 1 123 123 LYS CB C 123 35.253 35.253 29.649 5.604 19852 1590 1 2 . 1 1 123 123 LYS H H 123 8.086 8.086 8.513 -0.427 19852 1591 1 2 . 1 1 124 124 VAL N N 124 125.517 125.517 113.075 12.442 19852 1592 1 2 . 1 1 124 124 VAL C C 124 177.738 177.738 176.027 1.711 19852 1593 1 2 . 1 1 124 124 VAL CA C 124 62.777 62.777 64.148 -1.371 19852 1594 1 2 . 1 1 124 124 VAL CB C 124 33.496 33.496 31.459 2.037 19852 1595 1 2 . 1 1 124 124 VAL H H 124 9.483 9.483 7.581 1.902 19852 1596 1 2 . 1 1 125 125 ASP N N 125 119.607 119.607 118.904 0.703 19852 1597 1 2 . 1 1 125 125 ASP C C 125 176.566 176.566 176.867 -0.301 19852 1598 1 2 . 1 1 125 125 ASP CA C 125 55.750 55.750 55.679 0.071 19852 1599 1 2 . 1 1 125 125 ASP CB C 125 40.524 40.524 40.555 -0.031 19852 1600 1 2 . 1 1 125 125 ASP H H 125 7.875 7.875 8.031 -0.156 19852 1601 1 2 . 1 1 126 126 ILE N N 126 116.088 116.088 122.317 -6.229 19852 1602 1 2 . 1 1 126 126 ILE C C 126 177.152 177.152 176.456 0.696 19852 1603 1 2 . 1 1 126 126 ILE CA C 126 66.291 66.291 61.772 4.519 19852 1604 1 2 . 1 1 126 126 ILE CB C 126 39.353 39.353 38.263 1.090 19852 1605 1 2 . 1 1 126 126 ILE H H 126 7.511 7.511 7.531 -0.020 19852 1606 1 2 . 1 1 127 127 LYS N N 127 117.681 117.681 124.514 -6.833 19852 1607 1 2 . 1 1 127 127 LYS C C 127 177.152 177.152 177.039 0.113 19852 1608 1 2 . 1 1 127 127 LYS CA C 127 57.507 57.507 58.418 -0.911 19852 1609 1 2 . 1 1 127 127 LYS CB C 127 31.154 31.154 32.715 -1.561 19852 1610 1 2 . 1 1 127 127 LYS H H 127 8.059 8.059 8.431 -0.372 19852 1611 1 2 . 1 1 128 128 ASP N N 128 118.279 118.279 119.397 -1.118 19852 1612 1 2 . 1 1 128 128 ASP C C 128 176.566 176.566 175.075 1.491 19852 1613 1 2 . 1 1 128 128 ASP CA C 128 53.407 53.407 53.095 0.312 19852 1614 1 2 . 1 1 128 128 ASP CB C 128 40.524 40.524 40.174 0.350 19852 1615 1 2 . 1 1 128 128 ASP H H 128 7.241 7.241 8.058 -0.817 19852 1616 1 2 . 1 1 129 129 ARG N N 129 118.943 118.943 125.472 -6.529 19852 1617 1 2 . 1 1 129 129 ARG C C 129 177.738 177.738 176.077 1.661 19852 1618 1 2 . 1 1 129 129 ARG CA C 129 45.794 45.794 55.980 -10.186 19852 1619 1 2 . 1 1 129 129 ARG CB C 129 31.154 31.154 30.778 0.376 19852 1620 1 2 . 1 1 129 129 ARG H H 129 8.423 8.423 8.009 0.414 19852 1621 1 2 . 1 1 130 130 LYS N N 130 109.381 109.381 124.630 -15.249 19852 1622 1 2 . 1 1 130 130 LYS C C 130 176.566 176.566 176.991 -0.425 19852 1623 1 2 . 1 1 130 130 LYS CA C 130 55.164 55.164 56.224 -1.060 19852 1624 1 2 . 1 1 130 130 LYS CB C 130 36.424 36.424 33.432 2.992 19852 1625 1 2 . 1 1 130 130 LYS H H 130 7.296 7.296 8.496 -1.200 19852 1626 1 2 . 1 1 131 131 VAL N N 131 110.377 110.377 121.454 -11.077 19852 1627 1 2 . 1 1 131 131 VAL C C 131 178.617 178.617 174.816 3.801 19852 1628 1 2 . 1 1 131 131 VAL CA C 131 65.705 65.705 61.594 4.111 19852 1629 1 2 . 1 1 131 131 VAL CB C 131 35.839 35.839 31.484 4.355 19852 1630 1 2 . 1 1 131 131 VAL H H 131 9.283 9.283 8.292 0.991 19852 1631 1 2 . 1 1 132 132 LYS N N 132 110.310 110.310 126.745 -16.435 19852 1632 1 2 . 1 1 132 132 LYS C C 132 176.273 176.273 177.938 -1.665 19852 1633 1 2 . 1 1 132 132 LYS CA C 132 59.849 59.849 54.539 5.310 19852 1634 1 2 . 1 1 132 132 LYS CB C 132 35.253 35.253 33.675 1.579 19852 1635 1 2 . 1 1 132 132 LYS H H 132 9.709 9.709 8.100 1.609 19852 1636 1 2 . 1 1 133 133 ALA N N 133 134.349 134.349 125.114 9.235 19852 1637 1 2 . 1 1 133 133 ALA CA C 133 51.065 51.065 55.736 -4.671 19852 1638 1 2 . 1 1 133 133 ALA CB C 133 12.999 12.999 18.223 -5.224 19852 1639 1 2 . 1 1 133 133 ALA H H 133 6.322 6.322 8.887 -2.565 19852 1640 1 2 . 1 1 134 134 LYS N N 134 117.615 117.615 117.673 -0.058 19852 1641 1 2 . 1 1 134 134 LYS C C 134 176.859 176.859 178.958 -2.099 19852 1642 1 2 . 1 1 134 134 LYS CA C 134 55.750 55.750 59.323 -3.573 19852 1643 1 2 . 1 1 134 134 LYS CB C 134 54.579 54.579 32.232 22.347 19852 1644 1 2 . 1 1 134 134 LYS H H 134 6.549 6.549 8.623 -2.074 19852 1645 1 2 . 1 1 135 135 SER N N 135 109.314 109.314 111.624 -2.310 19852 1646 1 2 . 1 1 135 135 SER C C 135 173.635 173.635 174.148 -0.513 19852 1647 1 2 . 1 1 135 135 SER CA C 135 56.336 56.336 57.408 -1.072 19852 1648 1 2 . 1 1 135 135 SER CB C 135 63.949 63.949 64.058 -0.109 19852 1649 1 2 . 1 1 135 135 SER H H 135 7.840 7.840 7.773 0.067 19852 1650 1 2 . 1 1 136 136 ILE N N 136 124.123 124.123 124.726 -0.603 19852 1651 1 2 . 1 1 136 136 ILE C C 136 175.100 175.100 174.767 0.333 19852 1652 1 2 . 1 1 136 136 ILE CA C 136 68.634 68.634 61.830 6.804 19852 1653 1 2 . 1 1 136 136 ILE CB C 136 43.452 43.452 36.813 6.639 19852 1654 1 2 . 1 1 136 136 ILE H H 136 8.098 8.098 7.172 0.926 19852 1655 1 2 . 1 1 137 137 VAL N N 137 113.232 113.232 124.000 -10.768 19852 1656 1 2 . 1 1 137 137 VAL C C 137 176.859 176.859 177.222 -0.363 19852 1657 1 2 . 1 1 137 137 VAL CA C 137 64.534 64.534 62.873 1.661 19852 1658 1 2 . 1 1 137 137 VAL CB C 137 34.082 34.082 31.402 2.680 19852 1659 1 2 . 1 1 137 137 VAL H H 137 7.711 7.711 8.357 -0.646 19852 1660 1 2 . 1 1 138 138 PHE N N 138 118.279 118.279 123.002 -4.723 19852 1661 1 2 . 1 1 138 138 PHE C C 138 175.393 175.393 176.241 -0.848 19852 1662 1 2 . 1 1 138 138 PHE CA C 138 58.092 58.092 62.138 -4.046 19852 1663 1 2 . 1 1 138 138 PHE CB C 138 39.353 39.353 38.961 0.392 19852 1664 1 2 . 1 1 138 138 PHE H H 138 8.317 8.317 8.352 -0.035 19852 1665 1 2 . 1 1 139 139 HIS N N 139 107.654 107.654 116.183 -8.529 19852 1666 1 2 . 1 1 139 139 HIS C C 139 175.979 175.979 177.501 -1.522 19852 1667 1 2 . 1 1 139 139 HIS CA C 139 53.993 53.993 59.025 -5.032 19852 1668 1 2 . 1 1 139 139 HIS CB C 139 28.811 28.811 29.210 -0.399 19852 1669 1 2 . 1 1 139 139 HIS H H 139 8.016 8.016 7.107 0.909 19852 1670 1 2 . 1 1 140 140 ARG N N 140 117.084 117.084 120.017 -2.933 19852 1671 1 2 . 1 1 140 140 ARG C C 140 176.859 176.859 179.096 -2.237 19852 1672 1 2 . 1 1 140 140 ARG CA C 140 57.507 57.507 59.681 -2.174 19852 1673 1 2 . 1 1 140 140 ARG CB C 140 31.739 31.739 30.078 1.661 19852 1674 1 2 . 1 1 140 140 ARG H H 140 8.763 8.763 7.813 0.950 19852 1675 1 2 . 1 1 141 141 LYS N N 141 115.623 115.623 118.744 -3.121 19852 1676 1 2 . 1 1 141 141 LYS C C 141 173.635 173.635 177.943 -4.308 19852 1677 1 2 . 1 1 141 141 LYS CA C 141 58.092 58.092 58.583 -0.491 19852 1678 1 2 . 1 1 141 141 LYS CB C 141 33.496 33.496 32.136 1.360 19852 1679 1 2 . 1 1 141 141 LYS H H 141 7.449 7.449 7.826 -0.377 19852 1680 1 2 . 1 1 142 142 LYS N N 142 114.162 114.162 114.919 -0.757 19852 1681 1 2 . 1 1 142 142 LYS C C 142 175.979 175.979 175.934 0.045 19852 1682 1 2 . 1 1 142 142 LYS CA C 142 51.065 51.065 54.672 -3.607 19852 1683 1 2 . 1 1 142 142 LYS CB C 142 34.668 34.668 31.916 2.752 19852 1684 1 2 . 1 1 142 142 LYS H H 142 8.982 8.982 7.131 1.851 19852 1685 1 2 . 1 1 143 143 ASN N N 143 112.103 112.103 115.574 -3.471 19852 1686 1 2 . 1 1 143 143 ASN C C 143 175.100 175.100 173.874 1.226 19852 1687 1 2 . 1 1 143 143 ASN CA C 143 53.407 53.407 54.143 -0.736 19852 1688 1 2 . 1 1 143 143 ASN CB C 143 39.938 39.938 36.237 3.701 19852 1689 1 2 . 1 1 143 143 ASN H H 143 7.402 7.402 7.859 -0.457 19852 1690 1 2 . 1 1 144 144 LEU N N 144 118.810 118.810 116.849 1.961 19852 1691 1 2 . 1 1 144 144 LEU CA C 144 53.993 53.993 53.683 0.310 19852 1692 1 2 . 1 1 144 144 LEU CB C 144 42.866 42.866 43.313 -0.447 19852 1693 1 2 . 1 1 144 144 LEU H H 144 7.793 7.793 7.813 -0.020 19852 1694 1 2 . 1 1 145 145 GLN N N 145 119.607 119.607 120.051 -0.444 19852 1695 1 2 . 1 1 145 145 GLN C C 145 176.859 176.859 173.518 3.341 19852 1696 1 2 . 1 1 145 145 GLN CA C 145 55.164 55.164 53.974 1.190 19852 1697 1 2 . 1 1 145 145 GLN CB C 145 29.983 29.983 30.494 -0.511 19852 1698 1 2 . 1 1 145 145 GLN H H 145 7.014 7.014 7.559 -0.545 19852 1699 1 2 . 1 1 146 146 TYR N N 146 119.275 119.275 125.890 -6.615 19852 1700 1 2 . 1 1 146 146 TYR C C 146 174.807 174.807 174.082 0.725 19852 1701 1 2 . 1 1 146 146 TYR CA C 146 62.777 62.777 54.832 7.945 19852 1702 1 2 . 1 1 146 146 TYR CB C 146 41.109 41.109 40.444 0.665 19852 1703 1 2 . 1 1 146 146 TYR H H 146 9.350 9.350 8.003 1.347 19852 1704 1 2 . 1 1 147 147 TYR N N 147 123.658 123.658 124.118 -0.460 19852 1705 1 2 . 1 1 147 147 TYR C C 147 177.738 177.738 173.346 4.392 19852 1706 1 2 . 1 1 147 147 TYR CA C 147 58.092 58.092 55.989 2.103 19852 1707 1 2 . 1 1 147 147 TYR CB C 147 39.938 39.938 42.369 -2.431 19852 1708 1 2 . 1 1 147 147 TYR H H 147 8.340 8.340 7.882 0.458 19852 1709 1 2 . 1 1 148 148 ASP N N 148 121.267 121.267 122.681 -1.414 19852 1710 1 2 . 1 1 148 148 ASP C C 148 176.859 176.859 175.686 1.173 19852 1711 1 2 . 1 1 148 148 ASP CA C 148 54.579 54.579 54.048 0.531 19852 1712 1 2 . 1 1 148 148 ASP CB C 148 41.109 41.109 41.514 -0.405 19852 1713 1 2 . 1 1 148 148 ASP H H 148 8.911 8.911 8.237 0.674 19852 1714 1 2 . 1 1 149 149 ILE N N 149 119.607 119.607 116.405 3.202 19852 1715 1 2 . 1 1 149 149 ILE C C 149 174.807 174.807 174.425 0.382 19852 1716 1 2 . 1 1 149 149 ILE CA C 149 61.020 61.020 59.220 1.800 19852 1717 1 2 . 1 1 149 149 ILE CB C 149 39.353 39.353 42.616 -3.263 19852 1718 1 2 . 1 1 149 149 ILE H H 149 8.712 8.712 8.459 0.253 19852 1719 1 2 . 1 1 150 150 SER N N 150 117.349 117.349 117.048 0.301 19852 1720 1 2 . 1 1 150 150 SER C C 150 175.686 175.686 174.342 1.344 19852 1721 1 2 . 1 1 150 150 SER CA C 150 60.435 60.435 55.670 4.765 19852 1722 1 2 . 1 1 150 150 SER CB C 150 62.192 62.192 64.986 -2.794 19852 1723 1 2 . 1 1 150 150 SER H H 150 8.454 8.454 8.651 -0.197 19852 1724 1 2 . 1 1 151 151 ALA N N 151 131.162 131.162 131.552 -0.390 19852 1725 1 2 . 1 1 151 151 ALA C C 151 160.742 160.742 179.511 -18.769 19852 1726 1 2 . 1 1 151 151 ALA CA C 151 53.993 53.993 55.241 -1.248 19852 1727 1 2 . 1 1 151 151 ALA CB C 151 22.369 22.369 18.842 3.527 19852 1728 1 2 . 1 1 151 151 ALA H H 151 10.640 10.640 9.058 1.582 19852 1729 1 2 . 1 1 152 152 LYS N N 152 121.400 121.400 117.952 3.448 19852 1730 1 2 . 1 1 152 152 LYS C C 152 174.221 174.221 177.706 -3.485 19852 1731 1 2 . 1 1 152 152 LYS CA C 152 59.849 59.849 59.368 0.480 19852 1732 1 2 . 1 1 152 152 LYS CB C 152 34.668 34.668 32.614 2.054 19852 1733 1 2 . 1 1 152 152 LYS H H 152 9.099 9.099 8.521 0.578 19852 1734 1 2 . 1 1 153 153 SER N N 153 115.212 115.212 110.464 4.748 19852 1735 1 2 . 1 1 153 153 SER C C 153 177.152 177.152 174.162 2.990 19852 1736 1 2 . 1 1 153 153 SER CA C 153 62.192 62.192 57.523 4.669 19852 1737 1 2 . 1 1 153 153 SER CB C 153 66.291 66.291 64.068 2.223 19852 1738 1 2 . 1 1 153 153 SER H H 153 8.935 8.935 7.663 1.272 19852 1739 1 2 . 1 1 154 154 ASN N N 154 119.341 119.341 116.788 2.553 19852 1740 1 2 . 1 1 154 154 ASN C C 154 175.979 175.979 174.172 1.807 19852 1741 1 2 . 1 1 154 154 ASN CA C 154 49.894 49.894 54.688 -4.794 19852 1742 1 2 . 1 1 154 154 ASN CB C 154 39.353 39.353 36.676 2.677 19852 1743 1 2 . 1 1 154 154 ASN H H 154 7.488 7.488 7.793 -0.305 19852 1744 1 2 . 1 1 155 155 TYR N N 155 113.498 113.498 123.397 -9.899 19852 1745 1 2 . 1 1 155 155 TYR C C 155 173.928 173.928 175.267 -1.339 19852 1746 1 2 . 1 1 155 155 TYR CA C 155 56.336 56.336 59.796 -3.460 19852 1747 1 2 . 1 1 155 155 TYR CB C 155 37.596 37.596 38.893 -1.297 19852 1748 1 2 . 1 1 155 155 TYR H H 155 6.486 6.486 8.240 -1.754 19852 1749 1 2 . 1 1 156 156 ASN N N 156 122.396 122.396 123.172 -0.776 19852 1750 1 2 . 1 1 156 156 ASN C C 156 175.979 175.979 174.828 1.151 19852 1751 1 2 . 1 1 156 156 ASN CA C 156 51.651 51.651 54.219 -2.568 19852 1752 1 2 . 1 1 156 156 ASN CB C 156 38.767 38.767 35.916 2.850 19852 1753 1 2 . 1 1 156 156 ASN H H 156 8.352 8.352 8.812 -0.460 19852 1754 1 2 . 1 1 157 157 PHE N N 157 123.459 123.459 118.987 4.472 19852 1755 1 2 . 1 1 157 157 PHE C C 157 174.221 174.221 176.733 -2.512 19852 1756 1 2 . 1 1 157 157 PHE CA C 157 57.507 57.507 61.262 -3.755 19852 1757 1 2 . 1 1 157 157 PHE CB C 157 39.353 39.353 39.477 -0.124 19852 1758 1 2 . 1 1 157 157 PHE H H 157 7.429 7.429 7.603 -0.174 19852 1759 1 2 . 1 1 158 158 GLU N N 158 112.568 112.568 118.501 -5.933 19852 1760 1 2 . 1 1 158 158 GLU C C 158 176.566 176.566 178.667 -2.101 19852 1761 1 2 . 1 1 158 158 GLU CA C 158 72.147 72.147 59.547 12.600 19852 1762 1 2 . 1 1 158 158 GLU CB C 158 27.640 27.640 29.165 -1.525 19852 1763 1 2 . 1 1 158 158 GLU H H 158 7.495 7.495 8.926 -1.431 19852 1764 1 2 . 1 1 159 159 LYS N N 159 113.232 113.232 118.506 -5.274 19852 1765 1 2 . 1 1 159 159 LYS C C 159 176.566 176.566 175.990 0.576 19852 1766 1 2 . 1 1 159 159 LYS CA C 159 53.993 53.993 60.868 -6.875 19852 1767 1 2 . 1 1 159 159 LYS CB C 159 33.496 33.496 29.849 3.647 19852 1768 1 2 . 1 1 159 159 LYS H H 159 6.862 6.862 7.503 -0.641 19852 1769 1 2 . 1 1 160 160 PRO C C 160 176.273 176.273 178.545 -2.272 19852 1770 1 2 . 1 1 160 160 PRO CA C 160 64.258 64.258 65.662 -1.404 19852 1771 1 2 . 1 1 160 160 PRO CB C 160 32.318 32.318 31.116 1.202 19852 1772 1 2 . 1 1 161 161 PHE N N 161 120.271 120.271 116.066 4.205 19852 1773 1 2 . 1 1 161 161 PHE C C 161 175.100 175.100 177.599 -2.499 19852 1774 1 2 . 1 1 161 161 PHE CA C 161 56.336 56.336 61.926 -5.590 19852 1775 1 2 . 1 1 161 161 PHE CB C 161 39.353 39.353 37.730 1.623 19852 1776 1 2 . 1 1 161 161 PHE H H 161 8.074 8.074 7.173 0.901 19852 1777 1 2 . 1 1 162 162 LEU N N 162 110.177 110.177 119.786 -9.609 19852 1778 1 2 . 1 1 162 162 LEU C C 162 176.273 176.273 178.334 -2.061 19852 1779 1 2 . 1 1 162 162 LEU CA C 162 55.750 55.750 57.798 -2.048 19852 1780 1 2 . 1 1 162 162 LEU CB C 162 44.037 44.037 41.415 2.622 19852 1781 1 2 . 1 1 162 162 LEU H H 162 7.527 7.527 8.107 -0.580 19852 1782 1 2 . 1 1 163 163 TRP N N 163 123.525 123.525 120.949 2.576 19852 1783 1 2 . 1 1 163 163 TRP C C 163 177.152 177.152 178.089 -0.937 19852 1784 1 2 . 1 1 163 163 TRP CA C 163 61.606 61.606 62.079 -0.473 19852 1785 1 2 . 1 1 163 163 TRP CB C 163 28.811 28.811 29.599 -0.788 19852 1786 1 2 . 1 1 163 163 TRP H H 163 7.476 7.476 8.057 -0.581 19852 1787 1 2 . 1 1 164 164 LEU N N 164 119.740 119.740 118.981 0.759 19852 1788 1 2 . 1 1 164 164 LEU C C 164 175.686 175.686 178.999 -3.313 19852 1789 1 2 . 1 1 164 164 LEU CA C 164 61.020 61.020 57.901 3.119 19852 1790 1 2 . 1 1 164 164 LEU CB C 164 45.794 45.794 41.445 4.349 19852 1791 1 2 . 1 1 164 164 LEU H H 164 9.412 9.412 8.149 1.263 19852 1792 1 2 . 1 1 165 165 ALA N N 165 118.013 118.013 121.677 -3.664 19852 1793 1 2 . 1 1 165 165 ALA C C 165 165.723 165.723 179.632 -13.909 19852 1794 1 2 . 1 1 165 165 ALA CA C 165 52.236 52.236 55.391 -3.155 19852 1795 1 2 . 1 1 165 165 ALA CB C 165 21.784 21.784 18.267 3.517 19852 1796 1 2 . 1 1 165 165 ALA H H 165 7.707 7.707 8.510 -0.803 19852 1797 1 2 . 1 1 166 166 ARG N N 166 122.994 122.994 118.401 4.593 19852 1798 1 2 . 1 1 166 166 ARG C C 166 175.979 175.979 178.828 -2.849 19852 1799 1 2 . 1 1 166 166 ARG CA C 166 49.308 49.308 59.337 -10.029 19852 1800 1 2 . 1 1 166 166 ARG CB C 166 29.397 29.397 30.154 -0.757 19852 1801 1 2 . 1 1 166 166 ARG H H 166 8.692 8.692 8.203 0.489 19852 1802 1 2 . 1 1 167 167 LYS N N 167 112.568 112.568 120.221 -7.653 19852 1803 1 2 . 1 1 167 167 LYS C C 167 176.273 176.273 179.264 -2.991 19852 1804 1 2 . 1 1 167 167 LYS CA C 167 58.092 58.092 58.989 -0.897 19852 1805 1 2 . 1 1 167 167 LYS CB C 167 34.668 34.668 31.880 2.788 19852 1806 1 2 . 1 1 167 167 LYS H H 167 6.819 6.819 7.453 -0.634 19852 1807 1 2 . 1 1 168 168 LEU N N 168 114.959 114.959 120.187 -5.228 19852 1808 1 2 . 1 1 168 168 LEU C C 168 177.738 177.738 178.800 -1.062 19852 1809 1 2 . 1 1 168 168 LEU CA C 168 56.921 56.921 57.504 -0.583 19852 1810 1 2 . 1 1 168 168 LEU CB C 168 41.695 41.695 41.611 0.084 19852 1811 1 2 . 1 1 168 168 LEU H H 168 7.269 7.269 7.935 -0.666 19852 1812 1 2 . 1 1 169 169 ILE N N 169 124.986 124.986 115.814 9.172 19852 1813 1 2 . 1 1 169 169 ILE C C 169 171.877 171.877 177.692 -5.815 19852 1814 1 2 . 1 1 169 169 ILE CA C 169 68.048 68.048 62.023 6.025 19852 1815 1 2 . 1 1 169 169 ILE CB C 169 39.353 39.353 38.079 1.274 19852 1816 1 2 . 1 1 169 169 ILE H H 169 8.915 8.915 8.160 0.755 19852 1817 1 2 . 1 1 170 170 GLY N N 170 113.099 113.099 107.338 5.761 19852 1818 1 2 . 1 1 170 170 GLY C C 170 162.496 162.496 173.802 -11.306 19852 1819 1 2 . 1 1 170 170 GLY CA C 170 44.037 44.037 44.950 -0.913 19852 1820 1 2 . 1 1 170 170 GLY H H 170 6.686 6.686 7.991 -1.305 19852 1821 1 2 . 1 1 171 171 ASP N N 171 113.232 113.232 121.464 -8.232 19852 1822 1 2 . 1 1 171 171 ASP C C 171 178.910 178.910 175.836 3.074 19852 1823 1 2 . 1 1 171 171 ASP CA C 171 50.479 50.479 50.580 -0.101 19852 1824 1 2 . 1 1 171 171 ASP CB C 171 41.109 41.109 42.422 -1.313 19852 1825 1 2 . 1 1 171 171 ASP H H 171 6.815 6.815 7.550 -0.735 19852 1826 1 2 . 1 1 172 172 PRO C C 172 176.566 176.566 176.658 -0.092 19852 1827 1 2 . 1 1 172 172 PRO CA C 172 63.965 63.965 63.811 0.154 19852 1828 1 2 . 1 1 172 172 PRO CB C 172 31.732 31.732 32.230 -0.498 19852 1829 1 2 . 1 1 173 173 ASN N N 173 109.779 109.779 116.473 -6.694 19852 1830 1 2 . 1 1 173 173 ASN C C 173 175.979 175.979 175.932 0.047 19852 1831 1 2 . 1 1 173 173 ASN CA C 173 54.579 54.579 52.684 1.895 19852 1832 1 2 . 1 1 173 173 ASN CB C 173 36.424 36.424 39.381 -2.957 19852 1833 1 2 . 1 1 173 173 ASN H H 173 8.016 8.016 8.548 -0.532 19852 1834 1 2 . 1 1 174 174 LEU N N 174 109.248 109.248 122.534 -13.286 19852 1835 1 2 . 1 1 174 174 LEU C C 174 176.566 176.566 176.311 0.255 19852 1836 1 2 . 1 1 174 174 LEU CA C 174 56.336 56.336 55.934 0.401 19852 1837 1 2 . 1 1 174 174 LEU CB C 174 44.037 44.037 42.026 2.011 19852 1838 1 2 . 1 1 174 174 LEU H H 174 7.871 7.871 7.385 0.486 19852 1839 1 2 . 1 1 175 175 GLU N N 175 125.185 125.185 121.751 3.434 19852 1840 1 2 . 1 1 175 175 GLU C C 175 177.445 177.445 174.750 2.695 19852 1841 1 2 . 1 1 175 175 GLU CA C 175 76.247 76.247 54.724 21.523 19852 1842 1 2 . 1 1 175 175 GLU CB C 175 28.811 28.811 34.180 -5.369 19852 1843 1 2 . 1 1 175 175 GLU H H 175 9.127 9.127 8.962 0.165 19852 1844 1 2 . 1 1 176 176 PHE N N 176 136.873 136.873 121.909 14.964 19852 1845 1 2 . 1 1 176 176 PHE C C 176 178.617 178.617 177.276 1.341 19852 1846 1 2 . 1 1 176 176 PHE CA C 176 59.264 59.264 55.789 3.475 19852 1847 1 2 . 1 1 176 176 PHE CB C 176 44.623 44.623 38.284 6.339 19852 1848 1 2 . 1 1 176 176 PHE H H 176 10.058 10.058 8.783 1.275 19852 1849 1 2 . 1 1 177 177 VAL N N 177 118.877 118.877 124.132 -5.255 19852 1850 1 2 . 1 1 177 177 VAL C C 177 177.445 177.445 175.789 1.656 19852 1851 1 2 . 1 1 177 177 VAL CA C 177 62.777 62.777 63.893 -1.116 19852 1852 1 2 . 1 1 177 177 VAL CB C 177 34.668 34.668 32.231 2.437 19852 1853 1 2 . 1 1 177 177 VAL H H 177 7.789 7.789 8.650 -0.861 19852 1854 1 2 . 1 1 178 178 ALA N N 178 128.904 128.904 121.154 7.750 19852 1855 1 2 . 1 1 178 178 ALA CA C 178 57.507 57.507 51.438 6.069 19852 1856 1 2 . 1 1 178 178 ALA CB C 178 19.441 19.441 21.016 -1.575 19852 1857 1 2 . 1 1 178 178 ALA H H 178 7.566 7.566 7.510 0.056 19852 1858 1 2 . 1 1 179 179 MET N N 179 120.736 120.736 122.019 -1.283 19852 1859 1 2 . 1 1 179 179 MET C C 179 176.859 176.859 174.742 2.117 19852 1860 1 2 . 1 1 179 179 MET CA C 179 56.336 56.336 53.231 3.105 19852 1861 1 2 . 1 1 179 179 MET CB C 179 34.668 34.668 32.627 2.041 19852 1862 1 2 . 1 1 179 179 MET H H 179 7.930 7.930 8.461 -0.531 19852 1863 1 2 . 1 1 180 180 PRO C C 180 177.445 177.445 175.785 1.660 19852 1864 1 2 . 1 1 180 180 PRO CA C 180 64.844 64.844 62.343 2.501 19852 1865 1 2 . 1 1 180 180 PRO CB C 180 29.974 29.974 31.974 -2.000 19852 1866 1 2 . 1 1 181 181 ALA N N 181 128.439 128.439 123.504 4.935 19852 1867 1 2 . 1 1 181 181 ALA C C 181 176.273 176.273 175.894 0.379 19852 1868 1 2 . 1 1 181 181 ALA CA C 181 58.092 58.092 52.205 5.887 19852 1869 1 2 . 1 1 181 181 ALA CB C 181 21.198 21.198 19.238 1.960 19852 1870 1 2 . 1 1 181 181 ALA H H 181 8.673 8.673 8.161 0.512 19852 1871 1 2 . 1 1 182 182 LEU N N 182 122.130 122.130 123.476 -1.346 19852 1872 1 2 . 1 1 182 182 LEU C C 182 177.445 177.445 176.837 0.608 19852 1873 1 2 . 1 1 182 182 LEU CA C 182 55.164 55.164 52.466 2.698 19852 1874 1 2 . 1 1 182 182 LEU CB C 182 42.866 42.866 45.264 -2.398 19852 1875 1 2 . 1 1 182 182 LEU H H 182 8.821 8.821 8.147 0.674 19852 1876 1 2 . 1 1 183 183 ALA N N 183 108.783 108.783 125.384 -16.601 19852 1877 1 2 . 1 1 183 183 ALA C C 183 160.742 160.742 175.528 -14.786 19852 1878 1 2 . 1 1 183 183 ALA CA C 183 51.651 51.651 50.688 0.963 19852 1879 1 2 . 1 1 183 183 ALA CB C 183 18.856 18.856 17.971 0.885 19852 1880 1 2 . 1 1 183 183 ALA H H 183 7.621 7.621 8.290 -0.669 19852 1881 1 2 . 1 1 184 184 PRO C C 184 177.152 177.152 174.920 2.232 19852 1882 1 2 . 1 1 184 184 PRO CA C 184 64.258 64.258 62.134 2.124 19852 1883 1 2 . 1 1 184 184 PRO CB C 184 29.681 29.681 31.539 -1.858 19852 1884 1 2 . 1 1 185 185 PRO C C 185 175.686 175.686 177.113 -1.427 19852 1885 1 2 . 1 1 185 185 PRO CA C 185 63.379 63.379 63.265 0.114 19852 1886 1 2 . 1 1 185 185 PRO CB C 185 35.248 35.248 32.135 3.113 19852 1887 1 2 . 1 1 186 186 GLU N N 186 104.931 104.931 124.824 -19.893 19852 1888 1 2 . 1 1 186 186 GLU C C 186 174.221 174.221 176.759 -2.538 19852 1889 1 2 . 1 1 186 186 GLU CA C 186 57.507 57.507 58.516 -1.009 19852 1890 1 2 . 1 1 186 186 GLU CB C 186 31.739 31.739 30.225 1.514 19852 1891 1 2 . 1 1 186 186 GLU H H 186 8.673 8.673 8.805 -0.132 19852 1892 1 2 . 1 1 187 187 VAL N N 187 124.455 124.455 112.596 11.859 19852 1893 1 2 . 1 1 187 187 VAL C C 187 178.910 178.910 174.124 4.786 19852 1894 1 2 . 1 1 187 187 VAL CA C 187 63.363 63.363 60.564 2.799 19852 1895 1 2 . 1 1 187 187 VAL CB C 187 34.082 34.082 34.693 -0.611 19852 1896 1 2 . 1 1 187 187 VAL H H 187 8.622 8.622 7.494 1.128 19852 1897 1 2 . 1 1 188 188 VAL N N 188 128.572 128.572 121.750 6.822 19852 1898 1 2 . 1 1 188 188 VAL C C 188 178.324 178.324 175.353 2.971 19852 1899 1 2 . 1 1 188 188 VAL CA C 188 68.634 68.634 61.745 6.889 19852 1900 1 2 . 1 1 188 188 VAL CB C 188 31.154 31.154 33.112 -1.958 19852 1901 1 2 . 1 1 188 188 VAL H H 188 8.497 8.497 8.206 0.291 19852 1902 1 2 . 1 1 189 189 MET N N 189 122.795 122.795 127.103 -4.308 19852 1903 1 2 . 1 1 189 189 MET C C 189 177.445 177.445 175.227 2.218 19852 1904 1 2 . 1 1 189 189 MET CA C 189 55.164 55.164 54.822 0.342 19852 1905 1 2 . 1 1 189 189 MET CB C 189 35.253 35.253 33.595 1.658 19852 1906 1 2 . 1 1 189 189 MET H H 189 6.991 6.991 8.460 -1.469 19852 1907 1 2 . 1 1 190 190 ASP N N 190 114.959 114.959 128.419 -13.460 19852 1908 1 2 . 1 1 190 190 ASP C C 190 175.686 175.686 175.715 -0.029 19852 1909 1 2 . 1 1 190 190 ASP CA C 190 51.065 51.065 52.383 -1.318 19852 1910 1 2 . 1 1 190 190 ASP CB C 190 41.695 41.695 42.190 -0.495 19852 1911 1 2 . 1 1 190 190 ASP H H 190 7.210 7.210 8.523 -1.313 19852 1912 1 2 . 1 1 191 191 PRO C C 191 176.566 176.566 177.867 -1.301 19852 1913 1 2 . 1 1 191 191 PRO CA C 191 63.965 63.965 65.110 -1.145 19852 1914 1 2 . 1 1 191 191 PRO CB C 191 31.146 31.146 31.809 -0.663 19852 1915 1 2 . 1 1 192 192 ALA N N 192 109.513 109.513 119.636 -10.123 19852 1916 1 2 . 1 1 192 192 ALA CA C 192 53.993 53.993 54.856 -0.863 19852 1917 1 2 . 1 1 192 192 ALA CB C 192 19.441 19.441 18.148 1.293 19852 1918 1 2 . 1 1 192 192 ALA H H 192 7.394 7.394 7.637 -0.243 19852 1919 1 2 . 1 1 193 193 LEU N N 193 119.009 119.009 119.716 -0.707 19852 1920 1 2 . 1 1 193 193 LEU C C 193 175.979 175.979 178.991 -3.012 19852 1921 1 2 . 1 1 193 193 LEU CA C 193 56.336 56.336 57.138 -0.802 19852 1922 1 2 . 1 1 193 193 LEU CB C 193 42.866 42.866 41.379 1.487 19852 1923 1 2 . 1 1 193 193 LEU H H 193 8.340 8.340 7.847 0.493 19852 1924 1 2 . 1 1 194 194 ALA N N 194 121.666 121.666 121.527 0.139 19852 1925 1 2 . 1 1 194 194 ALA C C 194 166.896 166.896 179.273 -12.377 19852 1926 1 2 . 1 1 194 194 ALA CA C 194 55.164 55.164 54.907 0.257 19852 1927 1 2 . 1 1 194 194 ALA CB C 194 16.513 16.513 18.155 -1.642 19852 1928 1 2 . 1 1 194 194 ALA H H 194 8.176 8.176 8.090 0.086 19852 1929 1 2 . 1 1 195 195 ALA N N 195 119.541 119.541 121.150 -1.609 19852 1930 1 2 . 1 1 195 195 ALA C C 195 173.928 173.928 179.803 -5.875 19852 1931 1 2 . 1 1 195 195 ALA CA C 195 57.507 57.507 54.862 2.645 19852 1932 1 2 . 1 1 195 195 ALA CB C 195 19.441 19.441 18.392 1.049 19852 1933 1 2 . 1 1 195 195 ALA H H 195 8.364 8.364 8.066 0.298 19852 1934 1 2 . 1 1 196 196 GLN N N 196 107.322 107.322 118.525 -11.203 19852 1935 1 2 . 1 1 196 196 GLN C C 196 176.273 176.273 178.770 -2.497 19852 1936 1 2 . 1 1 196 196 GLN CA C 196 56.921 56.921 59.228 -2.307 19852 1937 1 2 . 1 1 196 196 GLN CB C 196 29.983 29.983 28.774 1.209 19852 1938 1 2 . 1 1 196 196 GLN H H 196 7.910 7.910 7.969 -0.059 19852 1939 1 2 . 1 1 197 197 TYR N N 197 115.623 115.623 119.233 -3.610 19852 1940 1 2 . 1 1 197 197 TYR CA C 197 67.462 67.462 58.550 8.912 19852 1941 1 2 . 1 1 197 197 TYR CB C 197 41.695 41.695 37.705 3.990 19852 1942 1 2 . 1 1 197 197 TYR H H 197 8.196 8.196 8.322 -0.126 19852 1943 1 2 . 1 1 198 198 GLU N N 198 110.244 110.244 119.607 -9.363 19852 1944 1 2 . 1 1 198 198 GLU C C 198 176.273 176.273 178.904 -2.631 19852 1945 1 2 . 1 1 198 198 GLU CA C 198 53.407 53.407 59.715 -6.308 19852 1946 1 2 . 1 1 198 198 GLU CB C 198 30.568 30.568 29.594 0.974 19852 1947 1 2 . 1 1 198 198 GLU H H 198 7.523 7.523 8.308 -0.785 19852 1948 1 2 . 1 1 199 199 HIS N N 199 118.611 118.611 120.178 -1.567 19852 1949 1 2 . 1 1 199 199 HIS C C 199 175.686 175.686 177.213 -1.527 19852 1950 1 2 . 1 1 199 199 HIS CA C 199 56.921 56.921 59.335 -2.414 19852 1951 1 2 . 1 1 199 199 HIS CB C 199 28.226 28.226 29.802 -1.576 19852 1952 1 2 . 1 1 199 199 HIS H H 199 8.512 8.512 8.356 0.156 19852 1953 1 2 . 1 1 200 200 ASP N N 200 120.736 120.736 120.144 0.592 19852 1954 1 2 . 1 1 200 200 ASP C C 200 176.273 176.273 178.926 -2.653 19852 1955 1 2 . 1 1 200 200 ASP CA C 200 56.921 56.921 57.397 -0.475 19852 1956 1 2 . 1 1 200 200 ASP CB C 200 40.524 40.524 40.421 0.103 19852 1957 1 2 . 1 1 200 200 ASP H H 200 7.519 7.519 8.421 -0.902 19852 1958 1 2 . 1 1 201 201 LEU N N 201 116.353 116.353 120.162 -3.809 19852 1959 1 2 . 1 1 201 201 LEU C C 201 178.910 178.910 179.541 -0.631 19852 1960 1 2 . 1 1 201 201 LEU CA C 201 61.606 61.606 57.888 3.718 19852 1961 1 2 . 1 1 201 201 LEU CB C 201 41.109 41.109 42.011 -0.902 19852 1962 1 2 . 1 1 201 201 LEU H H 201 7.722 7.722 8.053 -0.331 19852 1963 1 2 . 1 1 202 202 GLU N N 202 118.080 118.080 119.445 -1.365 19852 1964 1 2 . 1 1 202 202 GLU C C 202 176.566 176.566 179.314 -2.748 19852 1965 1 2 . 1 1 202 202 GLU CA C 202 56.921 56.921 59.270 -2.349 19852 1966 1 2 . 1 1 202 202 GLU CB C 202 30.568 30.568 29.650 0.918 19852 1967 1 2 . 1 1 202 202 GLU H H 202 8.857 8.857 7.965 0.892 19852 1968 1 2 . 1 1 203 203 VAL N N 203 129.369 129.369 119.465 9.904 19852 1969 1 2 . 1 1 203 203 VAL C C 203 178.617 178.617 177.838 0.779 19852 1970 1 2 . 1 1 203 203 VAL CA C 203 64.534 64.534 66.690 -2.156 19852 1971 1 2 . 1 1 203 203 VAL CB C 203 27.640 27.640 31.567 -3.927 19852 1972 1 2 . 1 1 203 203 VAL H H 203 9.283 9.283 8.133 1.150 19852 1973 1 2 . 1 1 204 204 ALA N N 204 109.580 109.580 118.465 -8.885 19852 1974 1 2 . 1 1 204 204 ALA C C 204 176.859 176.859 179.661 -2.802 19852 1975 1 2 . 1 1 204 204 ALA CA C 204 54.579 54.579 52.855 1.724 19852 1976 1 2 . 1 1 204 204 ALA CB C 204 18.270 18.270 18.642 -0.372 19852 1977 1 2 . 1 1 204 204 ALA H H 204 8.528 8.528 7.638 0.890 19852 1978 1 2 . 1 1 205 205 GLN N N 205 115.756 115.756 119.776 -4.020 19852 1979 1 2 . 1 1 205 205 GLN C C 205 175.979 175.979 178.131 -2.152 19852 1980 1 2 . 1 1 205 205 GLN CA C 205 48.137 48.137 58.425 -10.288 19852 1981 1 2 . 1 1 205 205 GLN CB C 205 25.883 25.883 28.896 -3.013 19852 1982 1 2 . 1 1 205 205 GLN H H 205 7.973 7.973 8.055 -0.082 19852 1983 1 2 . 1 1 206 206 THR N N 206 120.271 120.271 110.634 9.637 19852 1984 1 2 . 1 1 206 206 THR C C 206 176.273 176.273 174.254 2.019 19852 1985 1 2 . 1 1 206 206 THR CA C 206 67.462 67.462 62.345 5.117 19852 1986 1 2 . 1 1 206 206 THR CB C 206 70.390 70.390 67.385 3.005 19852 1987 1 2 . 1 1 206 206 THR H H 206 7.585 7.585 7.684 -0.099 19852 1988 1 2 . 1 1 207 207 THR N N 207 111.970 111.970 112.058 -0.088 19852 1989 1 2 . 1 1 207 207 THR C C 207 176.566 176.566 173.826 2.740 19852 1990 1 2 . 1 1 207 207 THR CA C 207 64.534 64.534 64.068 0.466 19852 1991 1 2 . 1 1 207 207 THR CB C 207 72.733 72.733 66.497 6.236 19852 1992 1 2 . 1 1 207 207 THR H H 207 7.468 7.468 7.519 -0.051 19852 1993 1 2 . 1 1 208 208 ALA N N 208 115.623 115.623 121.490 -5.867 19852 1994 1 2 . 1 1 208 208 ALA C C 208 168.947 168.947 176.957 -8.010 19852 1995 1 2 . 1 1 208 208 ALA CA C 208 55.164 55.164 51.664 3.500 19852 1996 1 2 . 1 1 208 208 ALA CB C 208 22.369 22.369 20.229 2.140 19852 1997 1 2 . 1 1 208 208 ALA H H 208 7.390 7.390 7.627 -0.237 19852 1998 1 2 . 1 1 209 209 LEU N N 209 117.814 117.814 117.867 -0.053 19852 1999 1 2 . 1 1 209 209 LEU C C 209 176.273 176.273 175.405 0.868 19852 2000 1 2 . 1 1 209 209 LEU CA C 209 58.678 58.678 56.846 1.832 19852 2001 1 2 . 1 1 209 209 LEU CB C 209 46.380 46.380 39.979 6.401 19852 2002 1 2 . 1 1 209 209 LEU H H 209 7.652 7.652 8.288 -0.636 19852 2003 1 2 . 1 1 210 210 PRO C C 210 176.566 176.566 177.107 -0.541 19852 2004 1 2 . 1 1 210 210 PRO CA C 210 63.086 63.086 63.175 -0.089 19852 2005 1 2 . 1 1 210 210 PRO CB C 210 31.146 31.146 31.991 -0.845 19852 2006 1 2 . 1 1 211 211 ASP N N 211 121.134 121.134 125.363 -4.229 19852 2007 1 2 . 1 1 211 211 ASP C C 211 176.273 176.273 178.215 -1.942 19852 2008 1 2 . 1 1 211 211 ASP CA C 211 52.236 52.236 57.318 -5.082 19852 2009 1 2 . 1 1 211 211 ASP CB C 211 42.281 42.281 40.653 1.628 19852 2010 1 2 . 1 1 211 211 ASP H H 211 9.510 9.510 8.914 0.596 19852 2011 1 2 . 1 1 212 212 GLU N N 212 131.162 131.162 118.261 12.901 19852 2012 1 2 . 1 1 212 212 GLU C C 212 176.273 176.273 177.453 -1.180 19852 2013 1 2 . 1 1 212 212 GLU CA C 212 55.164 55.164 58.855 -3.691 19852 2014 1 2 . 1 1 212 212 GLU CB C 212 30.568 30.568 29.602 0.966 19852 2015 1 2 . 1 1 212 212 GLU H H 212 8.399 8.399 8.018 0.381 19852 2016 1 2 . 1 1 213 213 ASP N N 213 115.822 115.822 118.688 -2.866 19852 2017 1 2 . 1 1 213 213 ASP C C 213 174.807 174.807 178.784 -3.977 19852 2018 1 2 . 1 1 213 213 ASP CA C 213 51.065 51.065 56.755 -5.691 19852 2019 1 2 . 1 1 213 213 ASP CB C 213 41.109 41.109 40.824 0.285 19852 2020 1 2 . 1 1 213 213 ASP H H 213 10.699 10.699 7.382 3.317 19852 2021 1 2 . 1 1 214 214 ASP N N 214 112.369 112.369 120.227 -7.858 19852 2022 1 2 . 1 1 214 214 ASP C C 214 178.910 178.910 177.065 1.845 19852 2023 1 2 . 1 1 214 214 ASP CA C 214 54.579 54.579 56.150 -1.571 19852 2024 1 2 . 1 1 214 214 ASP CB C 214 39.353 39.353 40.941 -1.588 19852 2025 1 2 . 1 1 214 214 ASP H H 214 7.464 7.464 8.007 -0.543 19852 2026 1 2 . 1 1 215 215 ASP N N 215 127.244 127.244 117.457 9.787 19852 2027 1 2 . 1 1 215 215 ASP C C 215 176.859 176.859 177.213 -0.354 19852 2028 1 2 . 1 1 215 215 ASP CA C 215 54.579 54.579 56.350 -1.772 19852 2029 1 2 . 1 1 215 215 ASP CB C 215 40.524 40.524 41.108 -0.584 19852 2030 1 2 . 1 1 215 215 ASP H H 215 8.301 8.301 8.090 0.211 19852 2031 1 3 . 1 1 2 2 ALA N N 2 131.228 131.228 125.076 6.152 19852 2032 1 3 . 1 1 2 2 ALA C C 2 187.031 187.031 175.970 11.061 19852 2033 1 3 . 1 1 2 2 ALA CA C 2 53.407 53.407 52.058 1.349 19852 2034 1 3 . 1 1 2 2 ALA CB C 2 20.027 20.027 17.418 2.609 19852 2035 1 3 . 1 1 2 2 ALA H H 2 10.644 10.644 8.630 2.014 19852 2036 1 3 . 1 1 3 3 ALA N N 3 124.521 124.521 123.767 0.754 19852 2037 1 3 . 1 1 3 3 ALA C C 3 176.566 176.566 175.976 0.590 19852 2038 1 3 . 1 1 3 3 ALA CA C 3 49.894 49.894 51.668 -1.774 19852 2039 1 3 . 1 1 3 3 ALA CB C 3 18.270 18.270 20.681 -2.411 19852 2040 1 3 . 1 1 3 3 ALA H H 3 8.669 8.669 7.737 0.931 19852 2041 1 3 . 1 1 4 4 GLN N N 4 118.080 118.080 119.556 -1.476 19852 2042 1 3 . 1 1 4 4 GLN C C 4 176.273 176.273 177.338 -1.065 19852 2043 1 3 . 1 1 4 4 GLN CA C 4 54.579 54.579 55.855 -1.276 19852 2044 1 3 . 1 1 4 4 GLN CB C 4 27.054 27.054 29.224 -2.170 19852 2045 1 3 . 1 1 4 4 GLN H H 4 8.919 8.919 8.513 0.406 19852 2046 1 3 . 1 1 5 5 GLY N N 5 121.002 121.002 109.351 11.651 19852 2047 1 3 . 1 1 5 5 GLY C C 5 181.877 181.877 174.288 7.589 19852 2048 1 3 . 1 1 5 5 GLY CA C 5 45.794 45.794 45.053 0.741 19852 2049 1 3 . 1 1 5 5 GLY H H 5 8.082 8.082 8.652 -0.570 19852 2050 1 3 . 1 1 6 6 GLU N N 6 129.435 129.435 121.441 7.994 19852 2051 1 3 . 1 1 6 6 GLU C C 6 176.566 176.566 174.662 1.904 19852 2052 1 3 . 1 1 6 6 GLU CA C 6 56.336 56.336 54.034 2.302 19852 2053 1 3 . 1 1 6 6 GLU CB C 6 28.811 28.811 29.979 -1.168 19852 2054 1 3 . 1 1 6 6 GLU H H 6 9.267 9.267 8.249 1.018 19852 2055 1 3 . 1 1 7 7 PRO C C 7 176.566 176.566 176.031 0.535 19852 2056 1 3 . 1 1 7 7 PRO CA C 7 63.672 63.672 63.152 0.520 19852 2057 1 3 . 1 1 7 7 PRO CB C 7 31.146 31.146 32.117 -0.971 19852 2058 1 3 . 1 1 8 8 GLN N N 8 112.502 112.502 120.968 -8.466 19852 2059 1 3 . 1 1 8 8 GLN C C 8 177.445 177.445 175.858 1.587 19852 2060 1 3 . 1 1 8 8 GLN CA C 8 50.479 50.479 55.101 -4.622 19852 2061 1 3 . 1 1 8 8 GLN CB C 8 28.811 28.811 29.636 -0.825 19852 2062 1 3 . 1 1 8 8 GLN H H 8 6.220 6.220 8.369 -2.149 19852 2063 1 3 . 1 1 9 9 VAL N N 9 117.416 117.416 123.718 -6.302 19852 2064 1 3 . 1 1 9 9 VAL C C 9 178.324 178.324 174.283 4.041 19852 2065 1 3 . 1 1 9 9 VAL CA C 9 63.363 63.363 62.239 1.124 19852 2066 1 3 . 1 1 9 9 VAL CB C 9 34.668 34.668 31.497 3.171 19852 2067 1 3 . 1 1 9 9 VAL H H 9 6.561 6.561 8.606 -2.045 19852 2068 1 3 . 1 1 10 10 GLN N N 10 113.896 113.896 124.660 -10.764 19852 2069 1 3 . 1 1 10 10 GLN C C 10 176.273 176.273 174.599 1.674 19852 2070 1 3 . 1 1 10 10 GLN CA C 10 55.164 55.164 53.752 1.412 19852 2071 1 3 . 1 1 10 10 GLN CB C 10 28.226 28.226 32.684 -4.458 19852 2072 1 3 . 1 1 10 10 GLN H H 10 7.847 7.847 8.065 -0.218 19852 2073 1 3 . 1 1 11 11 PHE N N 11 118.744 118.744 121.493 -2.749 19852 2074 1 3 . 1 1 11 11 PHE C C 11 176.566 176.566 174.517 2.049 19852 2075 1 3 . 1 1 11 11 PHE CA C 11 59.849 59.849 56.457 3.392 19852 2076 1 3 . 1 1 11 11 PHE CB C 11 41.109 41.109 43.247 -2.138 19852 2077 1 3 . 1 1 11 11 PHE H H 11 8.262 8.262 8.924 -0.662 19852 2078 1 3 . 1 1 12 12 LYS N N 12 124.123 124.123 122.712 1.411 19852 2079 1 3 . 1 1 12 12 LYS C C 12 177.152 177.152 175.119 2.033 19852 2080 1 3 . 1 1 12 12 LYS CA C 12 57.507 57.507 56.042 1.464 19852 2081 1 3 . 1 1 12 12 LYS CB C 12 28.811 28.811 33.402 -4.591 19852 2082 1 3 . 1 1 12 12 LYS H H 12 8.415 8.415 9.016 -0.601 19852 2083 1 3 . 1 1 13 13 LEU N N 13 112.103 112.103 128.654 -16.551 19852 2084 1 3 . 1 1 13 13 LEU C C 13 177.738 177.738 174.524 3.214 19852 2085 1 3 . 1 1 13 13 LEU CA C 13 54.579 54.579 53.322 1.257 19852 2086 1 3 . 1 1 13 13 LEU CB C 13 42.866 42.866 45.690 -2.824 19852 2087 1 3 . 1 1 13 13 LEU H H 13 6.905 6.905 9.076 -2.171 19852 2088 1 3 . 1 1 14 14 VAL N N 14 127.310 127.310 127.735 -0.425 19852 2089 1 3 . 1 1 14 14 VAL C C 14 175.393 175.393 174.196 1.197 19852 2090 1 3 . 1 1 14 14 VAL CA C 14 70.976 70.976 61.730 9.246 19852 2091 1 3 . 1 1 14 14 VAL CB C 14 28.811 28.811 33.130 -4.319 19852 2092 1 3 . 1 1 14 14 VAL H H 14 8.305 8.305 8.782 -0.477 19852 2093 1 3 . 1 1 15 15 LEU N N 15 121.400 121.400 130.447 -9.047 19852 2094 1 3 . 1 1 15 15 LEU C C 15 173.342 173.342 176.282 -2.940 19852 2095 1 3 . 1 1 15 15 LEU CA C 15 56.336 56.336 53.928 2.408 19852 2096 1 3 . 1 1 15 15 LEU CB C 15 41.695 41.695 43.605 -1.910 19852 2097 1 3 . 1 1 15 15 LEU H H 15 7.785 7.785 8.356 -0.571 19852 2098 1 3 . 1 1 16 16 VAL N N 16 121.267 121.267 118.769 2.498 19852 2099 1 3 . 1 1 16 16 VAL C C 16 178.324 178.324 174.700 3.624 19852 2100 1 3 . 1 1 16 16 VAL CA C 16 63.363 63.363 58.761 4.602 19852 2101 1 3 . 1 1 16 16 VAL CB C 16 35.839 35.839 35.601 0.238 19852 2102 1 3 . 1 1 16 16 VAL H H 16 8.935 8.935 8.741 0.194 19852 2103 1 3 . 1 1 17 17 GLY N N 17 127.908 127.908 107.191 20.717 19852 2104 1 3 . 1 1 17 17 GLY C C 17 174.514 174.514 172.632 1.882 19852 2105 1 3 . 1 1 17 17 GLY CA C 17 42.281 42.281 44.798 -2.518 19852 2106 1 3 . 1 1 17 17 GLY H H 17 9.682 9.682 7.023 2.659 19852 2107 1 3 . 1 1 18 18 ASP N N 18 119.673 119.673 120.684 -1.011 19852 2108 1 3 . 1 1 18 18 ASP C C 18 176.859 176.859 177.179 -0.320 19852 2109 1 3 . 1 1 18 18 ASP CA C 18 55.750 55.750 54.654 1.096 19852 2110 1 3 . 1 1 18 18 ASP CB C 18 39.938 39.938 42.089 -2.151 19852 2111 1 3 . 1 1 18 18 ASP H H 18 7.879 7.879 8.420 -0.541 19852 2112 1 3 . 1 1 19 19 GLY N N 19 120.670 120.670 107.699 12.971 19852 2113 1 3 . 1 1 19 19 GLY C C 19 178.324 178.324 175.052 3.272 19852 2114 1 3 . 1 1 19 19 GLY CA C 19 42.281 42.281 45.476 -3.195 19852 2115 1 3 . 1 1 19 19 GLY H H 19 8.825 8.825 8.703 0.122 19852 2116 1 3 . 1 1 20 20 GLY N N 20 129.369 129.369 112.554 16.815 19852 2117 1 3 . 1 1 20 20 GLY C C 20 174.221 174.221 176.049 -1.828 19852 2118 1 3 . 1 1 20 20 GLY CA C 20 41.695 41.695 45.497 -3.802 19852 2119 1 3 . 1 1 20 20 GLY H H 20 8.477 8.477 8.725 -0.248 19852 2120 1 3 . 1 1 21 21 THR N N 21 114.560 114.560 114.495 0.065 19852 2121 1 3 . 1 1 21 21 THR C C 21 178.617 178.617 175.485 3.132 19852 2122 1 3 . 1 1 21 21 THR CA C 21 62.192 62.192 64.811 -2.619 19852 2123 1 3 . 1 1 21 21 THR CB C 21 70.390 70.390 69.196 1.194 19852 2124 1 3 . 1 1 21 21 THR H H 21 8.196 8.196 7.732 0.464 19852 2125 1 3 . 1 1 22 22 GLY N N 22 112.369 112.369 108.380 3.989 19852 2126 1 3 . 1 1 22 22 GLY C C 22 184.807 184.807 175.339 9.468 19852 2127 1 3 . 1 1 22 22 GLY CA C 22 45.209 45.209 45.028 0.181 19852 2128 1 3 . 1 1 22 22 GLY H H 22 6.772 6.772 8.284 -1.512 19852 2129 1 3 . 1 1 23 23 LYS N N 23 124.056 124.056 120.280 3.776 19852 2130 1 3 . 1 1 23 23 LYS C C 23 176.566 176.566 178.191 -1.625 19852 2131 1 3 . 1 1 23 23 LYS CA C 23 56.921 56.921 59.772 -2.851 19852 2132 1 3 . 1 1 23 23 LYS CB C 23 35.839 35.839 32.375 3.464 19852 2133 1 3 . 1 1 23 23 LYS H H 23 8.180 8.180 7.598 0.582 19852 2134 1 3 . 1 1 24 24 THR N N 24 114.627 114.627 113.904 0.723 19852 2135 1 3 . 1 1 24 24 THR C C 24 178.324 178.324 176.628 1.696 19852 2136 1 3 . 1 1 24 24 THR CA C 24 62.192 62.192 67.807 -5.615 19852 2137 1 3 . 1 1 24 24 THR CB C 24 71.562 71.562 67.914 3.648 19852 2138 1 3 . 1 1 24 24 THR H H 24 8.469 8.469 8.575 -0.106 19852 2139 1 3 . 1 1 25 25 THR N N 25 110.377 110.377 118.324 -7.947 19852 2140 1 3 . 1 1 25 25 THR C C 25 178.324 178.324 175.765 2.559 19852 2141 1 3 . 1 1 25 25 THR CA C 25 64.534 64.534 67.219 -2.685 19852 2142 1 3 . 1 1 25 25 THR CB C 25 71.562 71.562 68.480 3.083 19852 2143 1 3 . 1 1 25 25 THR H H 25 8.415 8.415 8.106 0.309 19852 2144 1 3 . 1 1 26 26 PHE N N 26 114.295 114.295 122.222 -7.927 19852 2145 1 3 . 1 1 26 26 PHE C C 26 174.514 174.514 177.415 -2.901 19852 2146 1 3 . 1 1 26 26 PHE CA C 26 53.407 53.407 61.465 -8.058 19852 2147 1 3 . 1 1 26 26 PHE CB C 26 40.524 40.524 39.021 1.503 19852 2148 1 3 . 1 1 26 26 PHE H H 26 7.707 7.707 8.212 -0.505 19852 2149 1 3 . 1 1 27 27 VAL N N 27 123.525 123.525 120.432 3.093 19852 2150 1 3 . 1 1 27 27 VAL C C 27 178.031 178.031 177.638 0.393 19852 2151 1 3 . 1 1 27 27 VAL CA C 27 67.462 67.462 66.596 0.866 19852 2152 1 3 . 1 1 27 27 VAL CB C 27 29.397 29.397 31.442 -2.045 19852 2153 1 3 . 1 1 27 27 VAL H H 27 6.987 6.987 8.365 -1.378 19852 2154 1 3 . 1 1 28 28 LYS N N 28 114.228 114.228 117.234 -3.006 19852 2155 1 3 . 1 1 28 28 LYS C C 28 176.566 176.566 177.641 -1.075 19852 2156 1 3 . 1 1 28 28 LYS CA C 28 58.092 58.092 58.007 0.085 19852 2157 1 3 . 1 1 28 28 LYS CB C 28 34.082 34.082 31.808 2.274 19852 2158 1 3 . 1 1 28 28 LYS H H 28 7.429 7.429 7.849 -0.420 19852 2159 1 3 . 1 1 29 29 ARG N N 29 112.037 112.037 117.081 -5.044 19852 2160 1 3 . 1 1 29 29 ARG C C 29 174.221 174.221 176.505 -2.284 19852 2161 1 3 . 1 1 29 29 ARG CA C 29 72.147 72.147 58.380 13.767 19852 2162 1 3 . 1 1 29 29 ARG CB C 29 37.596 37.596 30.131 7.465 19852 2163 1 3 . 1 1 29 29 ARG H H 29 6.803 6.803 7.117 -0.314 19852 2164 1 3 . 1 1 30 30 HIS N N 30 122.396 122.396 119.308 3.088 19852 2165 1 3 . 1 1 30 30 HIS C C 30 172.170 172.170 176.052 -3.882 19852 2166 1 3 . 1 1 30 30 HIS CA C 30 51.651 51.651 55.790 -4.139 19852 2167 1 3 . 1 1 30 30 HIS CB C 30 30.568 30.568 29.931 0.637 19852 2168 1 3 . 1 1 30 30 HIS H H 30 7.644 7.644 7.190 0.454 19852 2169 1 3 . 1 1 31 31 LEU N N 31 110.377 110.377 127.881 -17.504 19852 2170 1 3 . 1 1 31 31 LEU C C 31 178.031 178.031 178.299 -0.268 19852 2171 1 3 . 1 1 31 31 LEU CA C 31 55.164 55.164 57.848 -2.684 19852 2172 1 3 . 1 1 31 31 LEU CB C 31 42.281 42.281 41.655 0.626 19852 2173 1 3 . 1 1 31 31 LEU H H 31 7.894 7.894 7.953 -0.059 19852 2174 1 3 . 1 1 32 32 THR N N 32 118.213 118.213 114.116 4.097 19852 2175 1 3 . 1 1 32 32 THR C C 32 178.910 178.910 176.469 2.441 19852 2176 1 3 . 1 1 32 32 THR CA C 32 63.949 63.949 67.278 -3.329 19852 2177 1 3 . 1 1 32 32 THR CB C 32 72.733 72.733 68.038 4.694 19852 2178 1 3 . 1 1 32 32 THR H H 32 7.570 7.570 8.108 -0.538 19852 2179 1 3 . 1 1 33 33 GLY N N 33 127.841 127.841 109.329 18.512 19852 2180 1 3 . 1 1 33 33 GLY C C 33 161.914 161.914 175.535 -13.621 19852 2181 1 3 . 1 1 33 33 GLY CA C 33 42.866 42.866 46.790 -3.924 19852 2182 1 3 . 1 1 33 33 GLY H H 33 9.662 9.662 8.212 1.450 19852 2183 1 3 . 1 1 34 34 GLU N N 34 122.263 122.263 122.897 -0.634 19852 2184 1 3 . 1 1 34 34 GLU C C 34 176.859 176.859 179.685 -2.826 19852 2185 1 3 . 1 1 34 34 GLU CA C 34 51.651 51.651 58.696 -7.045 19852 2186 1 3 . 1 1 34 34 GLU CB C 34 29.397 29.397 29.651 -0.254 19852 2187 1 3 . 1 1 34 34 GLU H H 34 7.140 7.140 7.835 -0.695 19852 2188 1 3 . 1 1 35 35 PHE N N 35 111.838 111.838 118.953 -7.115 19852 2189 1 3 . 1 1 35 35 PHE C C 35 174.221 174.221 177.862 -3.641 19852 2190 1 3 . 1 1 35 35 PHE CA C 35 49.308 49.308 60.039 -10.731 19852 2191 1 3 . 1 1 35 35 PHE CB C 35 41.695 41.695 38.780 2.915 19852 2192 1 3 . 1 1 35 35 PHE H H 35 6.772 6.772 8.009 -1.237 19852 2193 1 3 . 1 1 36 36 GLU N N 36 124.388 124.388 117.075 7.313 19852 2194 1 3 . 1 1 36 36 GLU C C 36 176.859 176.859 175.806 1.053 19852 2195 1 3 . 1 1 36 36 GLU CA C 36 58.092 58.092 56.090 2.002 19852 2196 1 3 . 1 1 36 36 GLU CB C 36 30.568 30.568 29.709 0.859 19852 2197 1 3 . 1 1 36 36 GLU H H 36 7.734 7.734 8.087 -0.353 19852 2198 1 3 . 1 1 37 37 LYS N N 37 118.810 118.810 119.900 -1.090 19852 2199 1 3 . 1 1 37 37 LYS C C 37 172.756 172.756 176.055 -3.299 19852 2200 1 3 . 1 1 37 37 LYS CA C 37 48.137 48.137 56.426 -8.289 19852 2201 1 3 . 1 1 37 37 LYS CB C 37 37.010 37.010 32.903 4.107 19852 2202 1 3 . 1 1 37 37 LYS H H 37 8.509 8.509 7.203 1.306 19852 2203 1 3 . 1 1 38 38 LYS N N 38 108.052 108.052 125.798 -17.746 19852 2204 1 3 . 1 1 38 38 LYS C C 38 176.273 176.273 174.658 1.615 19852 2205 1 3 . 1 1 38 38 LYS CA C 38 59.849 59.849 55.084 4.766 19852 2206 1 3 . 1 1 38 38 LYS CB C 38 34.668 34.668 35.769 -1.101 19852 2207 1 3 . 1 1 38 38 LYS H H 38 7.715 7.715 8.475 -0.760 19852 2208 1 3 . 1 1 39 39 TYR N N 39 108.650 108.650 127.071 -18.421 19852 2209 1 3 . 1 1 39 39 TYR C C 39 175.686 175.686 175.268 0.418 19852 2210 1 3 . 1 1 39 39 TYR CA C 39 61.020 61.020 56.991 4.029 19852 2211 1 3 . 1 1 39 39 TYR CB C 39 36.424 36.424 39.642 -3.218 19852 2212 1 3 . 1 1 39 39 TYR H H 39 7.362 7.362 8.734 -1.372 19852 2213 1 3 . 1 1 40 40 VAL N N 40 117.947 117.947 128.601 -10.654 19852 2214 1 3 . 1 1 40 40 VAL C C 40 175.393 175.393 174.898 0.495 19852 2215 1 3 . 1 1 40 40 VAL CA C 40 61.020 61.020 60.703 0.317 19852 2216 1 3 . 1 1 40 40 VAL CB C 40 31.154 31.154 32.036 -0.882 19852 2217 1 3 . 1 1 40 40 VAL H H 40 8.442 8.442 8.559 -0.117 19852 2218 1 3 . 1 1 42 42 THR N N 42 117.150 117.150 114.484 2.666 19852 2219 1 3 . 1 1 42 42 THR C C 42 178.910 178.910 176.268 2.642 19852 2220 1 3 . 1 1 42 42 THR CA C 42 60.435 60.435 65.168 -4.733 19852 2221 1 3 . 1 1 42 42 THR CB C 42 70.390 70.390 68.486 1.904 19852 2222 1 3 . 1 1 42 42 THR H H 42 8.192 8.192 8.126 0.066 19852 2223 1 3 . 1 1 43 43 LEU N N 43 119.209 119.209 120.303 -1.094 19852 2224 1 3 . 1 1 43 43 LEU C C 43 174.807 174.807 177.071 -2.264 19852 2225 1 3 . 1 1 43 43 LEU CA C 43 57.507 57.507 55.453 2.054 19852 2226 1 3 . 1 1 43 43 LEU CB C 43 42.866 42.866 42.086 0.780 19852 2227 1 3 . 1 1 43 43 LEU H H 43 9.260 9.260 7.838 1.422 19852 2228 1 3 . 1 1 44 44 GLY N N 44 114.361 114.361 106.074 8.287 19852 2229 1 3 . 1 1 44 44 GLY C C 44 178.910 178.910 173.317 5.593 19852 2230 1 3 . 1 1 44 44 GLY CA C 44 54.579 54.579 45.626 8.953 19852 2231 1 3 . 1 1 44 44 GLY H H 44 6.979 6.979 7.936 -0.957 19852 2232 1 3 . 1 1 45 45 VAL N N 45 110.244 110.244 118.262 -8.018 19852 2233 1 3 . 1 1 45 45 VAL C C 45 174.807 174.807 174.261 0.546 19852 2234 1 3 . 1 1 45 45 VAL CA C 45 63.363 63.363 60.705 2.658 19852 2235 1 3 . 1 1 45 45 VAL CB C 45 17.099 17.099 35.394 -18.295 19852 2236 1 3 . 1 1 45 45 VAL H H 45 8.309 8.309 7.192 1.117 19852 2237 1 3 . 1 1 46 46 GLU N N 46 130.365 130.365 125.771 4.594 19852 2238 1 3 . 1 1 46 46 GLU C C 46 176.859 176.859 175.379 1.480 19852 2239 1 3 . 1 1 46 46 GLU CA C 46 55.164 55.164 55.362 -0.198 19852 2240 1 3 . 1 1 46 46 GLU CB C 46 32.325 32.325 31.755 0.570 19852 2241 1 3 . 1 1 46 46 GLU H H 46 9.741 9.741 9.186 0.555 19852 2242 1 3 . 1 1 47 47 VAL N N 47 115.623 115.623 125.889 -10.266 19852 2243 1 3 . 1 1 47 47 VAL C C 47 178.324 178.324 175.217 3.107 19852 2244 1 3 . 1 1 47 47 VAL CA C 47 63.363 63.363 61.372 1.991 19852 2245 1 3 . 1 1 47 47 VAL CB C 47 32.911 32.911 32.427 0.484 19852 2246 1 3 . 1 1 47 47 VAL H H 47 7.339 7.339 8.955 -1.616 19852 2247 1 3 . 1 1 48 48 HIS N N 48 129.236 129.236 127.668 1.568 19852 2248 1 3 . 1 1 48 48 HIS C C 48 169.240 169.240 172.992 -3.752 19852 2249 1 3 . 1 1 48 48 HIS CA C 48 49.894 49.894 53.367 -3.473 19852 2250 1 3 . 1 1 48 48 HIS CB C 48 27.640 27.640 31.422 -3.782 19852 2251 1 3 . 1 1 48 48 HIS H H 48 10.390 10.390 9.519 0.871 19852 2252 1 3 . 1 1 49 49 PRO C C 49 176.273 176.273 175.577 0.696 19852 2253 1 3 . 1 1 49 49 PRO CA C 49 62.500 62.500 62.895 -0.396 19852 2254 1 3 . 1 1 49 49 PRO CB C 49 29.974 29.974 31.542 -1.568 19852 2255 1 3 . 1 1 50 50 LEU N N 50 119.408 119.408 129.073 -9.665 19852 2256 1 3 . 1 1 50 50 LEU C C 50 177.445 177.445 175.235 2.210 19852 2257 1 3 . 1 1 50 50 LEU CA C 50 59.264 59.264 53.982 5.282 19852 2258 1 3 . 1 1 50 50 LEU CB C 50 42.281 42.281 42.746 -0.465 19852 2259 1 3 . 1 1 50 50 LEU H H 50 7.492 7.492 8.886 -1.394 19852 2260 1 3 . 1 1 51 51 VAL N N 51 117.947 117.947 124.758 -6.811 19852 2261 1 3 . 1 1 51 51 VAL C C 51 174.514 174.514 174.959 -0.445 19852 2262 1 3 . 1 1 51 51 VAL CA C 51 64.534 64.534 61.711 2.823 19852 2263 1 3 . 1 1 51 51 VAL CB C 51 37.010 37.010 32.746 4.264 19852 2264 1 3 . 1 1 51 51 VAL H H 51 7.715 7.715 7.915 -0.200 19852 2265 1 3 . 1 1 52 52 PHE N N 52 124.853 124.853 125.797 -0.944 19852 2266 1 3 . 1 1 52 52 PHE C C 52 175.100 175.100 173.844 1.256 19852 2267 1 3 . 1 1 52 52 PHE CA C 52 56.336 56.336 55.999 0.337 19852 2268 1 3 . 1 1 52 52 PHE CB C 52 39.938 39.938 41.848 -1.910 19852 2269 1 3 . 1 1 52 52 PHE H H 52 8.935 8.935 8.880 0.055 19852 2270 1 3 . 1 1 53 53 HIS N N 53 120.603 120.603 122.871 -2.268 19852 2271 1 3 . 1 1 53 53 HIS C C 53 170.119 170.119 174.991 -4.872 19852 2272 1 3 . 1 1 53 53 HIS CA C 53 55.164 55.164 55.366 -0.202 19852 2273 1 3 . 1 1 53 53 HIS CB C 53 30.568 30.568 30.921 -0.352 19852 2274 1 3 . 1 1 53 53 HIS H H 53 8.356 8.356 8.992 -0.636 19852 2275 1 3 . 1 1 54 54 THR N N 54 112.634 112.634 116.089 -3.455 19852 2276 1 3 . 1 1 54 54 THR C C 54 178.910 178.910 176.920 1.990 19852 2277 1 3 . 1 1 54 54 THR CA C 54 63.363 63.363 59.230 4.133 19852 2278 1 3 . 1 1 54 54 THR CB C 54 72.733 72.733 71.665 1.067 19852 2279 1 3 . 1 1 54 54 THR H H 54 7.574 7.574 8.457 -0.883 19852 2280 1 3 . 1 1 55 55 ASN N N 55 131.095 131.095 120.374 10.721 19852 2281 1 3 . 1 1 55 55 ASN C C 55 176.273 176.273 176.554 -0.281 19852 2282 1 3 . 1 1 55 55 ASN CA C 55 51.065 51.065 55.763 -4.698 19852 2283 1 3 . 1 1 55 55 ASN CB C 55 37.010 37.010 38.330 -1.320 19852 2284 1 3 . 1 1 55 55 ASN H H 55 10.187 10.187 8.791 1.396 19852 2285 1 3 . 1 1 56 56 ARG N N 56 122.064 122.064 118.980 3.084 19852 2286 1 3 . 1 1 56 56 ARG C C 56 175.100 175.100 175.936 -0.836 19852 2287 1 3 . 1 1 56 56 ARG CA C 56 61.606 61.606 55.844 5.762 19852 2288 1 3 . 1 1 56 56 ARG CB C 56 32.911 32.911 30.773 2.138 19852 2289 1 3 . 1 1 56 56 ARG H H 56 7.433 7.433 7.756 -0.323 19852 2290 1 3 . 1 1 57 57 GLY N N 57 127.709 127.709 108.655 19.054 19852 2291 1 3 . 1 1 57 57 GLY C C 57 175.979 175.979 172.013 3.966 19852 2292 1 3 . 1 1 57 57 GLY CA C 57 42.281 42.281 44.310 -2.029 19852 2293 1 3 . 1 1 57 57 GLY H H 57 9.373 9.373 7.768 1.605 19852 2294 1 3 . 1 1 58 58 PRO C C 58 177.152 177.152 175.895 1.257 19852 2295 1 3 . 1 1 58 58 PRO CA C 58 65.137 65.137 63.075 2.062 19852 2296 1 3 . 1 1 58 58 PRO CB C 58 29.095 29.095 32.236 -3.140 19852 2297 1 3 . 1 1 59 59 ILE N N 59 128.638 128.638 122.512 6.126 19852 2298 1 3 . 1 1 59 59 ILE C C 59 175.979 175.979 174.681 1.298 19852 2299 1 3 . 1 1 59 59 ILE CA C 59 65.120 65.120 60.248 4.872 19852 2300 1 3 . 1 1 59 59 ILE CB C 59 40.524 40.524 41.677 -1.153 19852 2301 1 3 . 1 1 59 59 ILE H H 59 8.794 8.794 8.930 -0.136 19852 2302 1 3 . 1 1 60 60 LYS N N 60 115.756 115.756 125.198 -9.442 19852 2303 1 3 . 1 1 60 60 LYS C C 60 175.979 175.979 175.478 0.501 19852 2304 1 3 . 1 1 60 60 LYS CA C 60 56.921 56.921 54.556 2.365 19852 2305 1 3 . 1 1 60 60 LYS CB C 60 32.325 32.325 34.771 -2.446 19852 2306 1 3 . 1 1 60 60 LYS H H 60 7.253 7.253 8.840 -1.587 19852 2307 1 3 . 1 1 61 61 PHE N N 61 120.670 120.670 123.858 -3.188 19852 2308 1 3 . 1 1 61 61 PHE C C 61 175.393 175.393 175.221 0.172 19852 2309 1 3 . 1 1 61 61 PHE CA C 61 57.507 57.507 56.896 0.611 19852 2310 1 3 . 1 1 61 61 PHE CB C 61 41.109 41.109 41.006 0.103 19852 2311 1 3 . 1 1 61 61 PHE H H 61 7.515 7.515 9.436 -1.921 19852 2312 1 3 . 1 1 62 62 ASN N N 62 119.076 119.076 124.725 -5.649 19852 2313 1 3 . 1 1 62 62 ASN C C 62 175.100 175.100 174.784 0.316 19852 2314 1 3 . 1 1 62 62 ASN CA C 62 53.407 53.407 53.168 0.239 19852 2315 1 3 . 1 1 62 62 ASN CB C 62 38.767 38.767 39.111 -0.344 19852 2316 1 3 . 1 1 62 62 ASN H H 62 7.558 7.558 9.384 -1.826 19852 2317 1 3 . 1 1 63 63 VAL N N 63 106.127 106.127 125.551 -19.424 19852 2318 1 3 . 1 1 63 63 VAL C C 63 175.100 175.100 175.720 -0.620 19852 2319 1 3 . 1 1 63 63 VAL CA C 63 61.020 61.020 62.898 -1.878 19852 2320 1 3 . 1 1 63 63 VAL CB C 63 31.154 31.154 32.267 -1.113 19852 2321 1 3 . 1 1 63 63 VAL H H 63 8.113 8.113 9.139 -1.026 19852 2322 1 3 . 1 1 64 64 TRP N N 64 129.302 129.302 129.968 -0.666 19852 2323 1 3 . 1 1 64 64 TRP C C 64 177.152 177.152 175.262 1.890 19852 2324 1 3 . 1 1 64 64 TRP CA C 64 59.264 59.264 55.298 3.966 19852 2325 1 3 . 1 1 64 64 TRP CB C 64 29.397 29.397 29.618 -0.221 19852 2326 1 3 . 1 1 64 64 TRP H H 64 8.970 8.970 9.590 -0.620 19852 2327 1 3 . 1 1 65 65 ASP N N 65 119.607 119.607 123.299 -3.692 19852 2328 1 3 . 1 1 65 65 ASP C C 65 174.514 174.514 176.088 -1.574 19852 2329 1 3 . 1 1 65 65 ASP CA C 65 55.164 55.164 52.717 2.447 19852 2330 1 3 . 1 1 65 65 ASP CB C 65 41.109 41.109 45.117 -4.008 19852 2331 1 3 . 1 1 65 65 ASP H H 65 8.638 8.638 9.318 -0.680 19852 2332 1 3 . 1 1 66 66 THR N N 66 122.463 122.463 115.809 6.654 19852 2333 1 3 . 1 1 66 66 THR C C 66 178.617 178.617 174.616 4.001 19852 2334 1 3 . 1 1 66 66 THR CA C 66 68.048 68.048 61.632 6.416 19852 2335 1 3 . 1 1 66 66 THR CB C 66 71.562 71.562 69.921 1.641 19852 2336 1 3 . 1 1 66 66 THR H H 66 8.293 8.293 8.486 -0.193 19852 2337 1 3 . 1 1 67 67 ALA N N 67 104.865 104.865 123.765 -18.900 19852 2338 1 3 . 1 1 67 67 ALA C C 67 177.738 177.738 177.898 -0.160 19852 2339 1 3 . 1 1 67 67 ALA CA C 67 48.722 48.722 51.574 -2.852 19852 2340 1 3 . 1 1 67 67 ALA CB C 67 14.171 14.171 18.736 -4.565 19852 2341 1 3 . 1 1 67 67 ALA H H 67 8.657 8.657 8.151 0.506 19852 2342 1 3 . 1 1 68 68 GLY N N 68 115.357 115.357 107.501 7.856 19852 2343 1 3 . 1 1 68 68 GLY C C 68 189.533 189.533 176.068 13.465 19852 2344 1 3 . 1 1 68 68 GLY CA C 68 45.209 45.209 45.353 -0.144 19852 2345 1 3 . 1 1 68 68 GLY H H 68 10.969 10.969 7.675 3.294 19852 2346 1 3 . 1 1 69 69 GLN N N 69 110.111 110.111 119.692 -9.581 19852 2347 1 3 . 1 1 69 69 GLN C C 69 176.859 176.859 176.680 0.179 19852 2348 1 3 . 1 1 69 69 GLN CA C 69 55.750 55.750 58.819 -3.069 19852 2349 1 3 . 1 1 69 69 GLN CB C 69 27.640 27.640 28.102 -0.462 19852 2350 1 3 . 1 1 69 69 GLN H H 69 8.344 8.344 8.667 -0.323 19852 2351 1 3 . 1 1 70 70 GLU N N 70 114.826 114.826 117.523 -2.697 19852 2352 1 3 . 1 1 70 70 GLU C C 70 176.273 176.273 177.797 -1.524 19852 2353 1 3 . 1 1 70 70 GLU CA C 70 57.507 57.507 58.543 -1.036 19852 2354 1 3 . 1 1 70 70 GLU CB C 70 28.811 28.811 29.277 -0.466 19852 2355 1 3 . 1 1 70 70 GLU H H 70 9.651 9.651 8.558 1.093 19852 2356 1 3 . 1 1 71 71 LYS N N 71 116.685 116.685 117.148 -0.463 19852 2357 1 3 . 1 1 71 71 LYS C C 71 175.979 175.979 178.811 -2.832 19852 2358 1 3 . 1 1 71 71 LYS CA C 71 48.722 48.722 58.473 -9.751 19852 2359 1 3 . 1 1 71 71 LYS CB C 71 37.010 37.010 32.655 4.355 19852 2360 1 3 . 1 1 71 71 LYS H H 71 8.712 8.712 7.570 1.142 19852 2361 1 3 . 1 1 72 72 PHE N N 72 114.959 114.959 115.944 -0.985 19852 2362 1 3 . 1 1 72 72 PHE C C 72 175.686 175.686 176.313 -0.627 19852 2363 1 3 . 1 1 72 72 PHE CA C 72 56.336 56.336 58.322 -1.986 19852 2364 1 3 . 1 1 72 72 PHE CB C 72 36.424 36.424 39.668 -3.244 19852 2365 1 3 . 1 1 72 72 PHE H H 72 7.965 7.965 7.431 0.534 19852 2366 1 3 . 1 1 73 73 GLY N N 73 117.084 117.084 106.310 10.774 19852 2367 1 3 . 1 1 73 73 GLY C C 73 168.068 168.068 172.433 -4.365 19852 2368 1 3 . 1 1 73 73 GLY CA C 73 42.281 42.281 44.925 -2.644 19852 2369 1 3 . 1 1 73 73 GLY H H 73 7.609 7.609 7.402 0.207 19852 2370 1 3 . 1 1 74 74 GLY N N 74 120.537 120.537 106.042 14.495 19852 2371 1 3 . 1 1 74 74 GLY C C 74 174.514 174.514 174.189 0.325 19852 2372 1 3 . 1 1 74 74 GLY CA C 74 44.037 44.037 44.222 -0.185 19852 2373 1 3 . 1 1 74 74 GLY H H 74 9.326 9.326 8.314 1.012 19852 2374 1 3 . 1 1 75 75 LEU N N 75 127.177 127.177 120.650 6.527 19852 2375 1 3 . 1 1 75 75 LEU C C 75 178.617 178.617 177.546 1.071 19852 2376 1 3 . 1 1 75 75 LEU CA C 75 53.407 53.407 54.042 -0.635 19852 2377 1 3 . 1 1 75 75 LEU CB C 75 42.281 42.281 43.245 -0.964 19852 2378 1 3 . 1 1 75 75 LEU H H 75 7.628 7.628 8.735 -1.107 19852 2379 1 3 . 1 1 76 76 ARG N N 76 116.486 116.486 122.681 -6.195 19852 2380 1 3 . 1 1 76 76 ARG C C 76 176.859 176.859 177.034 -0.175 19852 2381 1 3 . 1 1 76 76 ARG CA C 76 59.264 59.264 56.396 2.868 19852 2382 1 3 . 1 1 76 76 ARG CB C 76 31.154 31.154 31.041 0.113 19852 2383 1 3 . 1 1 76 76 ARG H H 76 7.143 7.143 8.570 -1.427 19852 2384 1 3 . 1 1 77 77 ASP N N 77 129.236 129.236 122.173 7.063 19852 2385 1 3 . 1 1 77 77 ASP C C 77 177.152 177.152 178.532 -1.380 19852 2386 1 3 . 1 1 77 77 ASP CA C 77 52.822 52.822 58.100 -5.279 19852 2387 1 3 . 1 1 77 77 ASP CB C 77 41.695 41.695 40.652 1.043 19852 2388 1 3 . 1 1 77 77 ASP H H 77 8.947 8.947 8.937 0.010 19852 2389 1 3 . 1 1 78 78 GLY N N 78 127.244 127.244 107.521 19.723 19852 2390 1 3 . 1 1 78 78 GLY C C 78 173.928 173.928 175.301 -1.373 19852 2391 1 3 . 1 1 78 78 GLY CA C 78 44.623 44.623 46.968 -2.345 19852 2392 1 3 . 1 1 78 78 GLY H H 78 8.219 8.219 8.577 -0.358 19852 2393 1 3 . 1 1 79 79 TYR N N 79 120.537 120.537 120.934 -0.397 19852 2394 1 3 . 1 1 79 79 TYR C C 79 176.273 176.273 176.449 -0.176 19852 2395 1 3 . 1 1 79 79 TYR CA C 79 58.678 58.678 60.918 -2.240 19852 2396 1 3 . 1 1 79 79 TYR CB C 79 40.524 40.524 38.620 1.904 19852 2397 1 3 . 1 1 79 79 TYR H H 79 8.563 8.563 7.625 0.938 19852 2398 1 3 . 1 1 80 80 TYR N N 80 115.822 115.822 115.592 0.230 19852 2399 1 3 . 1 1 80 80 TYR C C 80 175.979 175.979 176.344 -0.365 19852 2400 1 3 . 1 1 80 80 TYR CA C 80 58.092 58.092 59.806 -1.714 19852 2401 1 3 . 1 1 80 80 TYR CB C 80 38.181 38.181 38.560 -0.379 19852 2402 1 3 . 1 1 80 80 TYR H H 80 7.194 7.194 7.371 -0.177 19852 2403 1 3 . 1 1 81 81 ILE N N 81 120.072 120.072 118.529 1.543 19852 2404 1 3 . 1 1 81 81 ILE C C 81 177.445 177.445 175.950 1.495 19852 2405 1 3 . 1 1 81 81 ILE CA C 81 67.462 67.462 63.839 3.623 19852 2406 1 3 . 1 1 81 81 ILE CB C 81 41.109 41.109 37.823 3.286 19852 2407 1 3 . 1 1 81 81 ILE H H 81 8.837 8.837 7.978 0.859 19852 2408 1 3 . 1 1 82 82 GLN N N 82 109.580 109.580 118.940 -9.360 19852 2409 1 3 . 1 1 82 82 GLN C C 82 177.152 177.152 174.762 2.390 19852 2410 1 3 . 1 1 82 82 GLN CA C 82 56.336 56.336 56.550 -0.214 19852 2411 1 3 . 1 1 82 82 GLN CB C 82 24.126 24.126 26.597 -2.471 19852 2412 1 3 . 1 1 82 82 GLN H H 82 8.493 8.493 8.701 -0.208 19852 2413 1 3 . 1 1 83 83 ALA N N 83 109.713 109.713 121.283 -11.570 19852 2414 1 3 . 1 1 83 83 ALA C C 83 175.979 175.979 177.195 -1.216 19852 2415 1 3 . 1 1 83 83 ALA CA C 83 54.579 54.579 52.983 1.596 19852 2416 1 3 . 1 1 83 83 ALA CB C 83 16.513 16.513 19.262 -2.749 19852 2417 1 3 . 1 1 83 83 ALA H H 83 6.306 6.306 7.426 -1.120 19852 2418 1 3 . 1 1 84 84 GLN N N 84 131.380 131.380 121.770 9.610 19852 2419 1 3 . 1 1 84 84 GLN C C 84 175.686 175.686 176.072 -0.386 19852 2420 1 3 . 1 1 84 84 GLN CA C 84 51.065 51.065 56.762 -5.697 19852 2421 1 3 . 1 1 84 84 GLN CB C 84 32.325 32.325 30.680 1.645 19852 2422 1 3 . 1 1 84 84 GLN H H 84 11.169 11.169 8.701 2.468 19852 2423 1 3 . 1 1 85 85 CYS N N 85 124.322 124.322 111.907 12.415 19852 2424 1 3 . 1 1 85 85 CYS C C 85 173.049 173.049 172.667 0.382 19852 2425 1 3 . 1 1 85 85 CYS CA C 85 57.507 57.507 56.031 1.476 19852 2426 1 3 . 1 1 85 85 CYS CB C 85 35.253 35.253 31.736 3.517 19852 2427 1 3 . 1 1 85 85 CYS H H 85 8.602 8.602 7.977 0.625 19852 2428 1 3 . 1 1 86 86 ALA N N 86 114.295 114.295 121.535 -7.240 19852 2429 1 3 . 1 1 86 86 ALA CA C 86 57.507 57.507 50.801 6.706 19852 2430 1 3 . 1 1 86 86 ALA CB C 86 21.784 21.784 22.721 -0.937 19852 2431 1 3 . 1 1 86 86 ALA H H 86 6.897 6.897 8.854 -1.957 19852 2432 1 3 . 1 1 87 87 ILE N N 87 120.670 120.670 120.679 -0.009 19852 2433 1 3 . 1 1 87 87 ILE C C 87 173.928 173.928 174.726 -0.798 19852 2434 1 3 . 1 1 87 87 ILE CA C 87 61.020 61.020 59.903 1.117 19852 2435 1 3 . 1 1 87 87 ILE CB C 87 39.938 39.938 41.292 -1.354 19852 2436 1 3 . 1 1 87 87 ILE H H 87 8.282 8.282 8.650 -0.368 19852 2437 1 3 . 1 1 88 88 ILE N N 88 120.205 120.205 127.268 -7.063 19852 2438 1 3 . 1 1 88 88 ILE C C 88 173.635 173.635 175.130 -1.495 19852 2439 1 3 . 1 1 88 88 ILE CA C 88 64.534 64.534 60.034 4.500 19852 2440 1 3 . 1 1 88 88 ILE CB C 88 37.596 37.596 40.093 -2.497 19852 2441 1 3 . 1 1 88 88 ILE H H 88 5.528 5.528 8.935 -3.407 19852 2442 1 3 . 1 1 89 89 MET N N 89 119.209 119.209 125.998 -6.789 19852 2443 1 3 . 1 1 89 89 MET C C 89 176.566 176.566 175.584 0.982 19852 2444 1 3 . 1 1 89 89 MET CA C 89 56.921 56.921 54.225 2.696 19852 2445 1 3 . 1 1 89 89 MET CB C 89 34.668 34.668 35.220 -0.552 19852 2446 1 3 . 1 1 89 89 MET H H 89 8.164 8.164 8.871 -0.707 19852 2447 1 3 . 1 1 90 90 PHE N N 90 121.134 121.134 119.404 1.730 19852 2448 1 3 . 1 1 90 90 PHE C C 90 175.393 175.393 173.136 2.257 19852 2449 1 3 . 1 1 90 90 PHE CA C 90 60.435 60.435 55.114 5.321 19852 2450 1 3 . 1 1 90 90 PHE CB C 90 38.767 38.767 42.115 -3.348 19852 2451 1 3 . 1 1 90 90 PHE H H 90 9.334 9.334 8.895 0.439 19852 2452 1 3 . 1 1 91 91 ASP N N 91 125.185 125.185 120.484 4.701 19852 2453 1 3 . 1 1 91 91 ASP C C 91 176.566 176.566 178.136 -1.570 19852 2454 1 3 . 1 1 91 91 ASP CA C 91 52.822 52.822 51.999 0.822 19852 2455 1 3 . 1 1 91 91 ASP CB C 91 39.938 39.938 43.271 -3.333 19852 2456 1 3 . 1 1 91 91 ASP H H 91 9.056 9.056 8.653 0.403 19852 2457 1 3 . 1 1 92 92 VAL N N 92 115.158 115.158 123.475 -8.317 19852 2458 1 3 . 1 1 92 92 VAL C C 92 173.342 173.342 176.701 -3.359 19852 2459 1 3 . 1 1 92 92 VAL CA C 92 64.534 64.534 65.025 -0.491 19852 2460 1 3 . 1 1 92 92 VAL CB C 92 37.596 37.596 31.356 6.240 19852 2461 1 3 . 1 1 92 92 VAL H H 92 7.738 7.738 8.655 -0.917 19852 2462 1 3 . 1 1 93 93 THR N N 93 112.302 112.302 110.570 1.732 19852 2463 1 3 . 1 1 93 93 THR C C 93 177.152 177.152 175.106 2.046 19852 2464 1 3 . 1 1 93 93 THR CA C 93 64.534 64.534 63.282 1.252 19852 2465 1 3 . 1 1 93 93 THR CB C 93 72.147 72.147 69.300 2.846 19852 2466 1 3 . 1 1 93 93 THR H H 93 7.269 7.269 8.200 -0.931 19852 2467 1 3 . 1 1 94 94 SER N N 94 122.263 122.263 117.984 4.279 19852 2468 1 3 . 1 1 94 94 SER C C 94 163.965 163.965 174.482 -10.517 19852 2469 1 3 . 1 1 94 94 SER CA C 94 59.849 59.849 57.012 2.837 19852 2470 1 3 . 1 1 94 94 SER CB C 94 62.192 62.192 65.136 -2.944 19852 2471 1 3 . 1 1 94 94 SER H H 94 7.628 7.628 7.922 -0.294 19852 2472 1 3 . 1 1 95 95 ARG N N 95 113.099 113.099 126.670 -13.571 19852 2473 1 3 . 1 1 95 95 ARG C C 95 176.273 176.273 177.846 -1.573 19852 2474 1 3 . 1 1 95 95 ARG CA C 95 53.407 53.407 60.077 -6.670 19852 2475 1 3 . 1 1 95 95 ARG CB C 95 31.154 31.154 29.705 1.449 19852 2476 1 3 . 1 1 95 95 ARG H H 95 8.102 8.102 9.035 -0.933 19852 2477 1 3 . 1 1 96 96 VAL N N 96 124.787 124.787 118.056 6.731 19852 2478 1 3 . 1 1 96 96 VAL C C 96 178.031 178.031 177.759 0.272 19852 2479 1 3 . 1 1 96 96 VAL CA C 96 68.634 68.634 66.728 1.906 19852 2480 1 3 . 1 1 96 96 VAL CB C 96 24.126 24.126 31.075 -6.949 19852 2481 1 3 . 1 1 96 96 VAL H H 96 9.146 9.146 8.279 0.867 19852 2482 1 3 . 1 1 97 97 THR N N 97 111.970 111.970 112.711 -0.741 19852 2483 1 3 . 1 1 97 97 THR C C 97 178.031 178.031 175.786 2.245 19852 2484 1 3 . 1 1 97 97 THR CA C 97 63.949 63.949 65.468 -1.519 19852 2485 1 3 . 1 1 97 97 THR CB C 97 70.390 70.390 68.887 1.503 19852 2486 1 3 . 1 1 97 97 THR H H 97 7.984 7.984 7.654 0.330 19852 2487 1 3 . 1 1 98 98 TYR N N 98 113.232 113.232 122.292 -9.060 19852 2488 1 3 . 1 1 98 98 TYR C C 98 176.273 176.273 177.664 -1.391 19852 2489 1 3 . 1 1 98 98 TYR H H 98 7.605 7.605 7.543 0.062 19852 2490 1 3 . 1 1 99 99 LYS N N 99 121.998 121.998 118.641 3.357 19852 2491 1 3 . 1 1 99 99 LYS C C 99 174.221 174.221 178.265 -4.044 19852 2492 1 3 . 1 1 99 99 LYS CA C 99 59.264 59.264 59.300 -0.036 19852 2493 1 3 . 1 1 99 99 LYS CB C 99 34.668 34.668 32.049 2.619 19852 2494 1 3 . 1 1 99 99 LYS H H 99 8.129 8.129 7.887 0.242 19852 2495 1 3 . 1 1 100 100 ASN N N 100 111.970 111.970 115.790 -3.820 19852 2496 1 3 . 1 1 100 100 ASN C C 100 175.979 175.979 176.516 -0.537 19852 2497 1 3 . 1 1 100 100 ASN CA C 100 53.407 53.407 54.544 -1.137 19852 2498 1 3 . 1 1 100 100 ASN CB C 100 37.596 37.596 38.542 -0.946 19852 2499 1 3 . 1 1 100 100 ASN H H 100 5.778 5.778 7.800 -2.022 19852 2500 1 3 . 1 1 101 101 VAL N N 101 118.877 118.877 121.807 -2.930 19852 2501 1 3 . 1 1 101 101 VAL C C 101 173.635 173.635 175.016 -1.381 19852 2502 1 3 . 1 1 101 101 VAL CA C 101 62.777 62.777 68.337 -5.559 19852 2503 1 3 . 1 1 101 101 VAL CB C 101 27.054 27.054 29.381 -2.327 19852 2504 1 3 . 1 1 101 101 VAL H H 101 7.370 7.370 7.410 -0.040 19852 2505 1 3 . 1 1 102 102 PRO C C 102 176.566 176.566 178.386 -1.820 19852 2506 1 3 . 1 1 102 102 PRO CA C 102 62.500 62.500 66.262 -3.762 19852 2507 1 3 . 1 1 102 102 PRO CB C 102 30.853 30.853 30.840 0.013 19852 2508 1 3 . 1 1 103 103 ASN N N 103 122.728 122.728 116.914 5.814 19852 2509 1 3 . 1 1 103 103 ASN C C 103 175.100 175.100 177.506 -2.406 19852 2510 1 3 . 1 1 103 103 ASN CA C 103 54.579 54.579 55.885 -1.306 19852 2511 1 3 . 1 1 103 103 ASN CB C 103 38.767 38.767 37.619 1.148 19852 2512 1 3 . 1 1 103 103 ASN H H 103 7.879 7.879 7.528 0.351 19852 2513 1 3 . 1 1 104 104 TRP N N 104 132.158 132.158 121.040 11.118 19852 2514 1 3 . 1 1 104 104 TRP C C 104 176.273 176.273 179.115 -2.842 19852 2515 1 3 . 1 1 104 104 TRP CA C 104 60.435 60.435 60.886 -0.451 19852 2516 1 3 . 1 1 104 104 TRP CB C 104 29.983 29.983 29.351 0.632 19852 2517 1 3 . 1 1 104 104 TRP H H 104 9.541 9.541 7.867 1.674 19852 2518 1 3 . 1 1 105 105 HIS N N 105 120.869 120.869 118.760 2.109 19852 2519 1 3 . 1 1 105 105 HIS C C 105 177.738 177.738 177.619 0.119 19852 2520 1 3 . 1 1 105 105 HIS H H 105 6.971 6.971 8.651 -1.680 19852 2521 1 3 . 1 1 106 106 ARG N N 106 126.314 126.314 118.851 7.463 19852 2522 1 3 . 1 1 106 106 ARG C C 106 176.566 176.566 178.741 -2.175 19852 2523 1 3 . 1 1 106 106 ARG CA C 106 62.777 62.777 59.988 2.789 19852 2524 1 3 . 1 1 106 106 ARG CB C 106 29.397 29.397 30.039 -0.642 19852 2525 1 3 . 1 1 106 106 ARG H H 106 7.507 7.507 8.328 -0.821 19852 2526 1 3 . 1 1 107 107 ASP N N 107 119.076 119.076 120.179 -1.103 19852 2527 1 3 . 1 1 107 107 ASP C C 107 176.566 176.566 178.416 -1.850 19852 2528 1 3 . 1 1 107 107 ASP CA C 107 55.164 55.164 56.963 -1.799 19852 2529 1 3 . 1 1 107 107 ASP CB C 107 41.695 41.695 40.423 1.272 19852 2530 1 3 . 1 1 107 107 ASP H H 107 9.076 9.076 7.948 1.128 19852 2531 1 3 . 1 1 108 108 LEU N N 108 113.299 113.299 120.544 -7.245 19852 2532 1 3 . 1 1 108 108 LEU C C 108 176.273 176.273 178.255 -1.982 19852 2533 1 3 . 1 1 108 108 LEU CA C 108 59.264 59.264 57.625 1.639 19852 2534 1 3 . 1 1 108 108 LEU CB C 108 48.722 48.722 41.884 6.838 19852 2535 1 3 . 1 1 108 108 LEU H H 108 6.725 6.725 7.855 -1.130 19852 2536 1 3 . 1 1 109 109 VAL N N 109 121.267 121.267 115.715 5.552 19852 2537 1 3 . 1 1 109 109 VAL C C 109 175.393 175.393 177.471 -2.078 19852 2538 1 3 . 1 1 109 109 VAL CA C 109 63.949 63.949 64.747 -0.798 19852 2539 1 3 . 1 1 109 109 VAL CB C 109 32.911 32.911 31.152 1.759 19852 2540 1 3 . 1 1 109 109 VAL H H 109 8.763 8.763 7.930 0.833 19852 2541 1 3 . 1 1 110 110 ARG N N 110 112.900 112.900 117.706 -4.806 19852 2542 1 3 . 1 1 110 110 ARG C C 110 176.273 176.273 177.991 -1.718 19852 2543 1 3 . 1 1 110 110 ARG CA C 110 57.507 57.507 58.627 -1.120 19852 2544 1 3 . 1 1 110 110 ARG CB C 110 30.568 30.568 30.306 0.262 19852 2545 1 3 . 1 1 110 110 ARG H H 110 7.241 7.241 7.590 -0.349 19852 2546 1 3 . 1 1 111 111 VAL N N 111 115.556 115.556 117.018 -1.462 19852 2547 1 3 . 1 1 111 111 VAL C C 111 177.445 177.445 176.201 1.244 19852 2548 1 3 . 1 1 111 111 VAL CA C 111 59.849 59.849 64.663 -4.814 19852 2549 1 3 . 1 1 111 111 VAL CB C 111 32.911 32.911 32.850 0.061 19852 2550 1 3 . 1 1 111 111 VAL H H 111 7.566 7.566 7.328 0.238 19852 2551 1 3 . 1 1 112 112 CYS N N 112 114.295 114.295 119.824 -5.529 19852 2552 1 3 . 1 1 112 112 CYS C C 112 169.826 169.826 173.302 -3.476 19852 2553 1 3 . 1 1 112 112 CYS CA C 112 57.507 57.507 57.955 -0.448 19852 2554 1 3 . 1 1 112 112 CYS CB C 112 35.839 35.839 28.588 7.251 19852 2555 1 3 . 1 1 112 112 CYS H H 112 7.425 7.425 8.268 -0.843 19852 2556 1 3 . 1 1 113 113 GLU N N 113 116.486 116.486 125.903 -9.417 19852 2557 1 3 . 1 1 113 113 GLU C C 113 176.566 176.566 175.798 0.768 19852 2558 1 3 . 1 1 113 113 GLU CA C 113 69.219 69.219 56.540 12.679 19852 2559 1 3 . 1 1 113 113 GLU CB C 113 30.568 30.568 30.837 -0.269 19852 2560 1 3 . 1 1 113 113 GLU H H 113 7.241 7.241 8.666 -1.425 19852 2561 1 3 . 1 1 114 114 ASN N N 114 129.302 129.302 118.067 11.235 19852 2562 1 3 . 1 1 114 114 ASN C C 114 175.100 175.100 174.527 0.573 19852 2563 1 3 . 1 1 114 114 ASN CA C 114 52.236 52.236 54.065 -1.829 19852 2564 1 3 . 1 1 114 114 ASN CB C 114 39.938 39.938 37.088 2.850 19852 2565 1 3 . 1 1 114 114 ASN H H 114 8.919 8.919 8.614 0.305 19852 2566 1 3 . 1 1 115 115 ILE N N 115 110.443 110.443 114.806 -4.363 19852 2567 1 3 . 1 1 115 115 ILE C C 115 175.100 175.100 174.376 0.724 19852 2568 1 3 . 1 1 115 115 ILE CA C 115 65.705 65.705 58.263 7.442 19852 2569 1 3 . 1 1 115 115 ILE CB C 115 39.353 39.353 38.504 0.849 19852 2570 1 3 . 1 1 115 115 ILE H H 115 9.287 9.287 7.634 1.653 19852 2571 1 3 . 1 1 116 116 PRO C C 116 175.979 175.979 175.691 0.288 19852 2572 1 3 . 1 1 116 116 PRO CA C 116 63.086 63.086 63.064 0.022 19852 2573 1 3 . 1 1 116 116 PRO CB C 116 29.681 29.681 32.526 -2.845 19852 2574 1 3 . 1 1 117 117 ILE N N 117 123.591 123.591 123.326 0.265 19852 2575 1 3 . 1 1 117 117 ILE C C 117 174.807 174.807 175.116 -0.309 19852 2576 1 3 . 1 1 117 117 ILE CA C 117 66.291 66.291 60.249 6.042 19852 2577 1 3 . 1 1 117 117 ILE CB C 117 38.767 38.767 42.401 -3.634 19852 2578 1 3 . 1 1 117 117 ILE H H 117 7.781 7.781 8.579 -0.798 19852 2579 1 3 . 1 1 118 118 VAL N N 118 119.009 119.009 125.371 -6.362 19852 2580 1 3 . 1 1 118 118 VAL C C 118 178.324 178.324 174.638 3.686 19852 2581 1 3 . 1 1 118 118 VAL CA C 118 62.777 62.777 60.886 1.891 19852 2582 1 3 . 1 1 118 118 VAL CB C 118 31.154 31.154 33.945 -2.791 19852 2583 1 3 . 1 1 118 118 VAL H H 118 8.767 8.767 8.740 0.027 19852 2584 1 3 . 1 1 119 119 LEU N N 119 119.408 119.408 126.423 -7.015 19852 2585 1 3 . 1 1 119 119 LEU C C 119 178.031 178.031 176.154 1.877 19852 2586 1 3 . 1 1 119 119 LEU CA C 119 42.866 42.866 53.432 -10.566 19852 2587 1 3 . 1 1 119 119 LEU CB C 119 38.767 38.767 44.059 -5.292 19852 2588 1 3 . 1 1 119 119 LEU H H 119 7.734 7.734 9.049 -1.315 19852 2589 1 3 . 1 1 120 120 CYS N N 120 113.232 113.232 121.578 -8.346 19852 2590 1 3 . 1 1 120 120 CYS C C 120 178.031 178.031 174.228 3.803 19852 2591 1 3 . 1 1 120 120 CYS H H 120 8.317 8.317 9.123 -0.806 19852 2592 1 3 . 1 1 121 121 GLY N N 121 117.349 117.349 112.242 5.107 19852 2593 1 3 . 1 1 121 121 GLY C C 121 176.851 176.851 172.500 4.351 19852 2594 1 3 . 1 1 121 121 GLY CA C 121 41.109 41.109 43.511 -2.402 19852 2595 1 3 . 1 1 121 121 GLY H H 121 7.515 7.515 8.577 -1.062 19852 2596 1 3 . 1 1 122 122 ASN N N 122 125.318 125.318 124.837 0.481 19852 2597 1 3 . 1 1 122 122 ASN C C 122 175.686 175.686 175.568 0.118 19852 2598 1 3 . 1 1 122 122 ASN CA C 122 50.479 50.479 51.799 -1.320 19852 2599 1 3 . 1 1 122 122 ASN CB C 122 39.353 39.353 40.820 -1.467 19852 2600 1 3 . 1 1 122 122 ASN H H 122 9.162 9.162 8.649 0.513 19852 2601 1 3 . 1 1 123 123 LYS N N 123 124.920 124.920 115.243 9.677 19852 2602 1 3 . 1 1 123 123 LYS C C 123 176.566 176.566 176.783 -0.217 19852 2603 1 3 . 1 1 123 123 LYS CA C 123 70.976 70.976 57.720 13.256 19852 2604 1 3 . 1 1 123 123 LYS CB C 123 35.253 35.253 30.357 4.896 19852 2605 1 3 . 1 1 123 123 LYS H H 123 8.086 8.086 8.681 -0.595 19852 2606 1 3 . 1 1 124 124 VAL N N 124 125.517 125.517 112.948 12.569 19852 2607 1 3 . 1 1 124 124 VAL C C 124 177.738 177.738 176.501 1.237 19852 2608 1 3 . 1 1 124 124 VAL CA C 124 62.777 62.777 64.097 -1.320 19852 2609 1 3 . 1 1 124 124 VAL CB C 124 33.496 33.496 31.353 2.143 19852 2610 1 3 . 1 1 124 124 VAL H H 124 9.483 9.483 7.694 1.789 19852 2611 1 3 . 1 1 125 125 ASP N N 125 119.607 119.607 119.927 -0.320 19852 2612 1 3 . 1 1 125 125 ASP C C 125 176.566 176.566 177.079 -0.513 19852 2613 1 3 . 1 1 125 125 ASP CA C 125 55.750 55.750 56.740 -0.990 19852 2614 1 3 . 1 1 125 125 ASP CB C 125 40.524 40.524 40.590 -0.066 19852 2615 1 3 . 1 1 125 125 ASP H H 125 7.875 7.875 7.725 0.150 19852 2616 1 3 . 1 1 126 126 ILE N N 126 116.088 116.088 121.003 -4.915 19852 2617 1 3 . 1 1 126 126 ILE C C 126 177.152 177.152 176.906 0.246 19852 2618 1 3 . 1 1 126 126 ILE CA C 126 66.291 66.291 61.719 4.572 19852 2619 1 3 . 1 1 126 126 ILE CB C 126 39.353 39.353 38.381 0.972 19852 2620 1 3 . 1 1 126 126 ILE H H 126 7.511 7.511 7.536 -0.025 19852 2621 1 3 . 1 1 127 127 LYS N N 127 117.681 117.681 127.261 -9.580 19852 2622 1 3 . 1 1 127 127 LYS C C 127 177.152 177.152 176.835 0.317 19852 2623 1 3 . 1 1 127 127 LYS CA C 127 57.507 57.507 58.662 -1.155 19852 2624 1 3 . 1 1 127 127 LYS CB C 127 31.154 31.154 32.815 -1.661 19852 2625 1 3 . 1 1 127 127 LYS H H 127 8.059 8.059 8.587 -0.528 19852 2626 1 3 . 1 1 128 128 ASP N N 128 118.279 118.279 119.036 -0.757 19852 2627 1 3 . 1 1 128 128 ASP C C 128 176.566 176.566 175.135 1.431 19852 2628 1 3 . 1 1 128 128 ASP CA C 128 53.407 53.407 53.124 0.283 19852 2629 1 3 . 1 1 128 128 ASP CB C 128 40.524 40.524 40.219 0.305 19852 2630 1 3 . 1 1 128 128 ASP H H 128 7.241 7.241 8.091 -0.850 19852 2631 1 3 . 1 1 129 129 ARG N N 129 118.943 118.943 125.632 -6.689 19852 2632 1 3 . 1 1 129 129 ARG C C 129 177.738 177.738 176.072 1.666 19852 2633 1 3 . 1 1 129 129 ARG CA C 129 45.794 45.794 55.994 -10.200 19852 2634 1 3 . 1 1 129 129 ARG CB C 129 31.154 31.154 30.705 0.449 19852 2635 1 3 . 1 1 129 129 ARG H H 129 8.423 8.423 8.023 0.400 19852 2636 1 3 . 1 1 130 130 LYS N N 130 109.381 109.381 124.634 -15.253 19852 2637 1 3 . 1 1 130 130 LYS C C 130 176.566 176.566 177.032 -0.466 19852 2638 1 3 . 1 1 130 130 LYS CA C 130 55.164 55.164 56.400 -1.236 19852 2639 1 3 . 1 1 130 130 LYS CB C 130 36.424 36.424 33.296 3.128 19852 2640 1 3 . 1 1 130 130 LYS H H 130 7.296 7.296 8.415 -1.119 19852 2641 1 3 . 1 1 131 131 VAL N N 131 110.377 110.377 121.613 -11.236 19852 2642 1 3 . 1 1 131 131 VAL C C 131 178.617 178.617 174.754 3.863 19852 2643 1 3 . 1 1 131 131 VAL CA C 131 65.705 65.705 61.961 3.744 19852 2644 1 3 . 1 1 131 131 VAL CB C 131 35.839 35.839 31.478 4.361 19852 2645 1 3 . 1 1 131 131 VAL H H 131 9.283 9.283 8.245 1.038 19852 2646 1 3 . 1 1 132 132 LYS N N 132 110.310 110.310 127.167 -16.857 19852 2647 1 3 . 1 1 132 132 LYS C C 132 176.273 176.273 177.910 -1.637 19852 2648 1 3 . 1 1 132 132 LYS CA C 132 59.849 59.849 54.529 5.320 19852 2649 1 3 . 1 1 132 132 LYS CB C 132 35.253 35.253 34.545 0.708 19852 2650 1 3 . 1 1 132 132 LYS H H 132 9.709 9.709 7.710 1.999 19852 2651 1 3 . 1 1 133 133 ALA N N 133 134.349 134.349 124.577 9.772 19852 2652 1 3 . 1 1 133 133 ALA CA C 133 51.065 51.065 55.366 -4.301 19852 2653 1 3 . 1 1 133 133 ALA CB C 133 12.999 12.999 18.066 -5.067 19852 2654 1 3 . 1 1 133 133 ALA H H 133 6.322 6.322 8.807 -2.485 19852 2655 1 3 . 1 1 134 134 LYS N N 134 117.615 117.615 117.765 -0.150 19852 2656 1 3 . 1 1 134 134 LYS C C 134 176.859 176.859 178.874 -2.015 19852 2657 1 3 . 1 1 134 134 LYS CA C 134 55.750 55.750 59.382 -3.632 19852 2658 1 3 . 1 1 134 134 LYS CB C 134 54.579 54.579 32.254 22.325 19852 2659 1 3 . 1 1 134 134 LYS H H 134 6.549 6.549 8.610 -2.061 19852 2660 1 3 . 1 1 135 135 SER N N 135 109.314 109.314 111.649 -2.335 19852 2661 1 3 . 1 1 135 135 SER C C 135 173.635 173.635 174.208 -0.573 19852 2662 1 3 . 1 1 135 135 SER CA C 135 56.336 56.336 57.455 -1.119 19852 2663 1 3 . 1 1 135 135 SER CB C 135 63.949 63.949 63.928 0.021 19852 2664 1 3 . 1 1 135 135 SER H H 135 7.840 7.840 7.800 0.040 19852 2665 1 3 . 1 1 136 136 ILE N N 136 124.123 124.123 124.708 -0.585 19852 2666 1 3 . 1 1 136 136 ILE C C 136 175.100 175.100 174.956 0.144 19852 2667 1 3 . 1 1 136 136 ILE CA C 136 68.634 68.634 61.279 7.355 19852 2668 1 3 . 1 1 136 136 ILE CB C 136 43.452 43.452 36.227 7.225 19852 2669 1 3 . 1 1 136 136 ILE H H 136 8.098 8.098 7.297 0.801 19852 2670 1 3 . 1 1 137 137 VAL N N 137 113.232 113.232 125.862 -12.630 19852 2671 1 3 . 1 1 137 137 VAL C C 137 176.859 176.859 177.658 -0.799 19852 2672 1 3 . 1 1 137 137 VAL CA C 137 64.534 64.534 66.039 -1.505 19852 2673 1 3 . 1 1 137 137 VAL CB C 137 34.082 34.082 31.716 2.366 19852 2674 1 3 . 1 1 137 137 VAL H H 137 7.711 7.711 8.107 -0.396 19852 2675 1 3 . 1 1 138 138 PHE N N 138 118.279 118.279 120.614 -2.335 19852 2676 1 3 . 1 1 138 138 PHE C C 138 175.393 175.393 176.709 -1.316 19852 2677 1 3 . 1 1 138 138 PHE CA C 138 58.092 58.092 61.648 -3.556 19852 2678 1 3 . 1 1 138 138 PHE CB C 138 39.353 39.353 38.821 0.533 19852 2679 1 3 . 1 1 138 138 PHE H H 138 8.317 8.317 8.303 0.014 19852 2680 1 3 . 1 1 139 139 HIS N N 139 107.654 107.654 116.206 -8.552 19852 2681 1 3 . 1 1 139 139 HIS C C 139 175.979 175.979 177.506 -1.527 19852 2682 1 3 . 1 1 139 139 HIS CA C 139 53.993 53.993 59.227 -5.234 19852 2683 1 3 . 1 1 139 139 HIS CB C 139 28.811 28.811 29.221 -0.410 19852 2684 1 3 . 1 1 139 139 HIS H H 139 8.016 8.016 7.178 0.838 19852 2685 1 3 . 1 1 140 140 ARG N N 140 117.084 117.084 119.576 -2.492 19852 2686 1 3 . 1 1 140 140 ARG C C 140 176.859 176.859 178.680 -1.821 19852 2687 1 3 . 1 1 140 140 ARG CA C 140 57.507 57.507 59.436 -1.929 19852 2688 1 3 . 1 1 140 140 ARG CB C 140 31.739 31.739 29.609 2.130 19852 2689 1 3 . 1 1 140 140 ARG H H 140 8.763 8.763 7.870 0.893 19852 2690 1 3 . 1 1 141 141 LYS N N 141 115.623 115.623 120.132 -4.509 19852 2691 1 3 . 1 1 141 141 LYS C C 141 173.635 173.635 178.028 -4.393 19852 2692 1 3 . 1 1 141 141 LYS CA C 141 58.092 58.092 58.654 -0.562 19852 2693 1 3 . 1 1 141 141 LYS CB C 141 33.496 33.496 32.056 1.440 19852 2694 1 3 . 1 1 141 141 LYS H H 141 7.449 7.449 7.779 -0.330 19852 2695 1 3 . 1 1 142 142 LYS N N 142 114.162 114.162 114.896 -0.734 19852 2696 1 3 . 1 1 142 142 LYS C C 142 175.979 175.979 175.889 0.090 19852 2697 1 3 . 1 1 142 142 LYS CA C 142 51.065 51.065 54.599 -3.534 19852 2698 1 3 . 1 1 142 142 LYS CB C 142 34.668 34.668 31.941 2.727 19852 2699 1 3 . 1 1 142 142 LYS H H 142 8.982 8.982 7.124 1.858 19852 2700 1 3 . 1 1 143 143 ASN N N 143 112.103 112.103 115.446 -3.343 19852 2701 1 3 . 1 1 143 143 ASN C C 143 175.100 175.100 174.013 1.087 19852 2702 1 3 . 1 1 143 143 ASN CA C 143 53.407 53.407 54.065 -0.658 19852 2703 1 3 . 1 1 143 143 ASN CB C 143 39.938 39.938 36.513 3.425 19852 2704 1 3 . 1 1 143 143 ASN H H 143 7.402 7.402 7.736 -0.334 19852 2705 1 3 . 1 1 144 144 LEU N N 144 118.810 118.810 117.421 1.389 19852 2706 1 3 . 1 1 144 144 LEU CA C 144 53.993 53.993 53.657 0.335 19852 2707 1 3 . 1 1 144 144 LEU CB C 144 42.866 42.866 43.755 -0.889 19852 2708 1 3 . 1 1 144 144 LEU H H 144 7.793 7.793 7.907 -0.114 19852 2709 1 3 . 1 1 145 145 GLN N N 145 119.607 119.607 118.236 1.371 19852 2710 1 3 . 1 1 145 145 GLN C C 145 176.859 176.859 173.925 2.934 19852 2711 1 3 . 1 1 145 145 GLN CA C 145 55.164 55.164 53.443 1.721 19852 2712 1 3 . 1 1 145 145 GLN CB C 145 29.983 29.983 30.200 -0.217 19852 2713 1 3 . 1 1 145 145 GLN H H 145 7.014 7.014 7.611 -0.597 19852 2714 1 3 . 1 1 146 146 TYR N N 146 119.275 119.275 124.799 -5.524 19852 2715 1 3 . 1 1 146 146 TYR C C 146 174.807 174.807 174.138 0.669 19852 2716 1 3 . 1 1 146 146 TYR CA C 146 62.777 62.777 55.677 7.100 19852 2717 1 3 . 1 1 146 146 TYR CB C 146 41.109 41.109 40.248 0.861 19852 2718 1 3 . 1 1 146 146 TYR H H 146 9.350 9.350 7.995 1.355 19852 2719 1 3 . 1 1 147 147 TYR N N 147 123.658 123.658 124.888 -1.230 19852 2720 1 3 . 1 1 147 147 TYR C C 147 177.738 177.738 173.580 4.158 19852 2721 1 3 . 1 1 147 147 TYR CA C 147 58.092 58.092 56.130 1.962 19852 2722 1 3 . 1 1 147 147 TYR CB C 147 39.938 39.938 42.053 -2.115 19852 2723 1 3 . 1 1 147 147 TYR H H 147 8.340 8.340 8.097 0.243 19852 2724 1 3 . 1 1 148 148 ASP N N 148 121.267 121.267 122.841 -1.574 19852 2725 1 3 . 1 1 148 148 ASP C C 148 176.859 176.859 175.466 1.393 19852 2726 1 3 . 1 1 148 148 ASP CA C 148 54.579 54.579 54.344 0.234 19852 2727 1 3 . 1 1 148 148 ASP CB C 148 41.109 41.109 41.651 -0.542 19852 2728 1 3 . 1 1 148 148 ASP H H 148 8.911 8.911 8.395 0.516 19852 2729 1 3 . 1 1 149 149 ILE N N 149 119.607 119.607 116.427 3.180 19852 2730 1 3 . 1 1 149 149 ILE C C 149 174.807 174.807 174.459 0.348 19852 2731 1 3 . 1 1 149 149 ILE CA C 149 61.020 61.020 59.356 1.664 19852 2732 1 3 . 1 1 149 149 ILE CB C 149 39.353 39.353 42.421 -3.068 19852 2733 1 3 . 1 1 149 149 ILE H H 149 8.712 8.712 8.534 0.178 19852 2734 1 3 . 1 1 150 150 SER N N 150 117.349 117.349 118.029 -0.680 19852 2735 1 3 . 1 1 150 150 SER C C 150 175.686 175.686 174.158 1.528 19852 2736 1 3 . 1 1 150 150 SER CA C 150 60.435 60.435 56.989 3.446 19852 2737 1 3 . 1 1 150 150 SER CB C 150 62.192 62.192 65.677 -3.485 19852 2738 1 3 . 1 1 150 150 SER H H 150 8.454 8.454 8.540 -0.086 19852 2739 1 3 . 1 1 151 151 ALA N N 151 131.162 131.162 130.128 1.034 19852 2740 1 3 . 1 1 151 151 ALA C C 151 160.742 160.742 179.528 -18.786 19852 2741 1 3 . 1 1 151 151 ALA CA C 151 53.993 53.993 55.855 -1.862 19852 2742 1 3 . 1 1 151 151 ALA CB C 151 22.369 22.369 18.943 3.426 19852 2743 1 3 . 1 1 151 151 ALA H H 151 10.640 10.640 9.014 1.626 19852 2744 1 3 . 1 1 152 152 LYS N N 152 121.400 121.400 118.300 3.100 19852 2745 1 3 . 1 1 152 152 LYS C C 152 174.221 174.221 178.062 -3.841 19852 2746 1 3 . 1 1 152 152 LYS CA C 152 59.849 59.849 59.453 0.396 19852 2747 1 3 . 1 1 152 152 LYS CB C 152 34.668 34.668 32.356 2.312 19852 2748 1 3 . 1 1 152 152 LYS H H 152 9.099 9.099 8.636 0.463 19852 2749 1 3 . 1 1 153 153 SER N N 153 115.212 115.212 111.151 4.061 19852 2750 1 3 . 1 1 153 153 SER C C 153 177.152 177.152 174.366 2.786 19852 2751 1 3 . 1 1 153 153 SER CA C 153 62.192 62.192 58.229 3.963 19852 2752 1 3 . 1 1 153 153 SER CB C 153 66.291 66.291 63.974 2.317 19852 2753 1 3 . 1 1 153 153 SER H H 153 8.935 8.935 7.901 1.034 19852 2754 1 3 . 1 1 154 154 ASN N N 154 119.341 119.341 116.297 3.044 19852 2755 1 3 . 1 1 154 154 ASN C C 154 175.979 175.979 174.053 1.926 19852 2756 1 3 . 1 1 154 154 ASN CA C 154 49.894 49.894 54.722 -4.829 19852 2757 1 3 . 1 1 154 154 ASN CB C 154 39.353 39.353 36.593 2.760 19852 2758 1 3 . 1 1 154 154 ASN H H 154 7.488 7.488 7.874 -0.386 19852 2759 1 3 . 1 1 155 155 TYR N N 155 113.498 113.498 123.357 -9.859 19852 2760 1 3 . 1 1 155 155 TYR C C 155 173.928 173.928 175.204 -1.276 19852 2761 1 3 . 1 1 155 155 TYR CA C 155 56.336 56.336 59.825 -3.489 19852 2762 1 3 . 1 1 155 155 TYR CB C 155 37.596 37.596 38.901 -1.305 19852 2763 1 3 . 1 1 155 155 TYR H H 155 6.486 6.486 7.957 -1.471 19852 2764 1 3 . 1 1 156 156 ASN N N 156 122.396 122.396 123.048 -0.652 19852 2765 1 3 . 1 1 156 156 ASN C C 156 175.979 175.979 174.998 0.981 19852 2766 1 3 . 1 1 156 156 ASN CA C 156 51.651 51.651 54.334 -2.683 19852 2767 1 3 . 1 1 156 156 ASN CB C 156 38.767 38.767 36.164 2.603 19852 2768 1 3 . 1 1 156 156 ASN H H 156 8.352 8.352 8.620 -0.268 19852 2769 1 3 . 1 1 157 157 PHE N N 157 123.459 123.459 118.809 4.650 19852 2770 1 3 . 1 1 157 157 PHE C C 157 174.221 174.221 176.824 -2.603 19852 2771 1 3 . 1 1 157 157 PHE CA C 157 57.507 57.507 61.096 -3.588 19852 2772 1 3 . 1 1 157 157 PHE CB C 157 39.353 39.353 39.559 -0.206 19852 2773 1 3 . 1 1 157 157 PHE H H 157 7.429 7.429 7.616 -0.187 19852 2774 1 3 . 1 1 158 158 GLU N N 158 112.568 112.568 118.361 -5.793 19852 2775 1 3 . 1 1 158 158 GLU C C 158 176.566 176.566 178.636 -2.070 19852 2776 1 3 . 1 1 158 158 GLU CA C 158 72.147 72.147 59.502 12.645 19852 2777 1 3 . 1 1 158 158 GLU CB C 158 27.640 27.640 29.191 -1.550 19852 2778 1 3 . 1 1 158 158 GLU H H 158 7.495 7.495 8.929 -1.434 19852 2779 1 3 . 1 1 159 159 LYS N N 159 113.232 113.232 118.618 -5.386 19852 2780 1 3 . 1 1 159 159 LYS C C 159 176.566 176.566 175.922 0.644 19852 2781 1 3 . 1 1 159 159 LYS CA C 159 53.993 53.993 60.897 -6.904 19852 2782 1 3 . 1 1 159 159 LYS CB C 159 33.496 33.496 29.916 3.580 19852 2783 1 3 . 1 1 159 159 LYS H H 159 6.862 6.862 7.559 -0.697 19852 2784 1 3 . 1 1 160 160 PRO C C 160 176.273 176.273 178.502 -2.229 19852 2785 1 3 . 1 1 160 160 PRO CA C 160 64.258 64.258 65.598 -1.340 19852 2786 1 3 . 1 1 160 160 PRO CB C 160 32.318 32.318 31.059 1.259 19852 2787 1 3 . 1 1 161 161 PHE N N 161 120.271 120.271 115.706 4.565 19852 2788 1 3 . 1 1 161 161 PHE C C 161 175.100 175.100 177.562 -2.462 19852 2789 1 3 . 1 1 161 161 PHE CA C 161 56.336 56.336 61.799 -5.463 19852 2790 1 3 . 1 1 161 161 PHE CB C 161 39.353 39.353 37.639 1.714 19852 2791 1 3 . 1 1 161 161 PHE H H 161 8.074 8.074 7.089 0.985 19852 2792 1 3 . 1 1 162 162 LEU N N 162 110.177 110.177 120.224 -10.047 19852 2793 1 3 . 1 1 162 162 LEU C C 162 176.273 176.273 177.972 -1.699 19852 2794 1 3 . 1 1 162 162 LEU CA C 162 55.750 55.750 58.045 -2.295 19852 2795 1 3 . 1 1 162 162 LEU CB C 162 44.037 44.037 41.069 2.968 19852 2796 1 3 . 1 1 162 162 LEU H H 162 7.527 7.527 8.056 -0.529 19852 2797 1 3 . 1 1 163 163 TRP N N 163 123.525 123.525 120.846 2.679 19852 2798 1 3 . 1 1 163 163 TRP C C 163 177.152 177.152 178.066 -0.914 19852 2799 1 3 . 1 1 163 163 TRP CA C 163 61.606 61.606 62.385 -0.779 19852 2800 1 3 . 1 1 163 163 TRP CB C 163 28.811 28.811 29.503 -0.692 19852 2801 1 3 . 1 1 163 163 TRP H H 163 7.476 7.476 7.892 -0.416 19852 2802 1 3 . 1 1 164 164 LEU N N 164 119.740 119.740 119.043 0.697 19852 2803 1 3 . 1 1 164 164 LEU C C 164 175.686 175.686 178.937 -3.251 19852 2804 1 3 . 1 1 164 164 LEU CA C 164 61.020 61.020 57.834 3.186 19852 2805 1 3 . 1 1 164 164 LEU CB C 164 45.794 45.794 41.398 4.396 19852 2806 1 3 . 1 1 164 164 LEU H H 164 9.412 9.412 8.089 1.323 19852 2807 1 3 . 1 1 165 165 ALA N N 165 118.013 118.013 121.534 -3.521 19852 2808 1 3 . 1 1 165 165 ALA C C 165 165.723 165.723 179.589 -13.866 19852 2809 1 3 . 1 1 165 165 ALA CA C 165 52.236 52.236 55.347 -3.111 19852 2810 1 3 . 1 1 165 165 ALA CB C 165 21.784 21.784 18.263 3.521 19852 2811 1 3 . 1 1 165 165 ALA H H 165 7.707 7.707 8.509 -0.802 19852 2812 1 3 . 1 1 166 166 ARG N N 166 122.994 122.994 118.252 4.742 19852 2813 1 3 . 1 1 166 166 ARG C C 166 175.979 175.979 178.868 -2.889 19852 2814 1 3 . 1 1 166 166 ARG CA C 166 49.308 49.308 59.070 -9.762 19852 2815 1 3 . 1 1 166 166 ARG CB C 166 29.397 29.397 30.129 -0.732 19852 2816 1 3 . 1 1 166 166 ARG H H 166 8.692 8.692 8.117 0.575 19852 2817 1 3 . 1 1 167 167 LYS N N 167 112.568 112.568 120.102 -7.534 19852 2818 1 3 . 1 1 167 167 LYS C C 167 176.273 176.273 179.148 -2.875 19852 2819 1 3 . 1 1 167 167 LYS CA C 167 58.092 58.092 58.338 -0.246 19852 2820 1 3 . 1 1 167 167 LYS CB C 167 34.668 34.668 31.420 3.248 19852 2821 1 3 . 1 1 167 167 LYS H H 167 6.819 6.819 7.377 -0.558 19852 2822 1 3 . 1 1 168 168 LEU N N 168 114.959 114.959 120.033 -5.074 19852 2823 1 3 . 1 1 168 168 LEU C C 168 177.738 177.738 178.837 -1.099 19852 2824 1 3 . 1 1 168 168 LEU CA C 168 56.921 56.921 57.492 -0.571 19852 2825 1 3 . 1 1 168 168 LEU CB C 168 41.695 41.695 41.465 0.230 19852 2826 1 3 . 1 1 168 168 LEU H H 168 7.269 7.269 7.888 -0.619 19852 2827 1 3 . 1 1 169 169 ILE N N 169 124.986 124.986 117.362 7.624 19852 2828 1 3 . 1 1 169 169 ILE C C 169 171.877 171.877 177.338 -5.461 19852 2829 1 3 . 1 1 169 169 ILE CA C 169 68.048 68.048 62.403 5.645 19852 2830 1 3 . 1 1 169 169 ILE CB C 169 39.353 39.353 37.925 1.428 19852 2831 1 3 . 1 1 169 169 ILE H H 169 8.915 8.915 8.142 0.773 19852 2832 1 3 . 1 1 170 170 GLY N N 170 113.099 113.099 107.379 5.720 19852 2833 1 3 . 1 1 170 170 GLY C C 170 162.496 162.496 173.896 -11.400 19852 2834 1 3 . 1 1 170 170 GLY CA C 170 44.037 44.037 44.944 -0.907 19852 2835 1 3 . 1 1 170 170 GLY H H 170 6.686 6.686 7.952 -1.266 19852 2836 1 3 . 1 1 171 171 ASP N N 171 113.232 113.232 121.268 -8.036 19852 2837 1 3 . 1 1 171 171 ASP C C 171 178.910 178.910 175.373 3.537 19852 2838 1 3 . 1 1 171 171 ASP CA C 171 50.479 50.479 50.528 -0.049 19852 2839 1 3 . 1 1 171 171 ASP CB C 171 41.109 41.109 42.001 -0.892 19852 2840 1 3 . 1 1 171 171 ASP H H 171 6.815 6.815 7.647 -0.832 19852 2841 1 3 . 1 1 172 172 PRO C C 172 176.566 176.566 176.885 -0.319 19852 2842 1 3 . 1 1 172 172 PRO CA C 172 63.965 63.965 64.081 -0.116 19852 2843 1 3 . 1 1 172 172 PRO CB C 172 31.732 31.732 32.141 -0.409 19852 2844 1 3 . 1 1 173 173 ASN N N 173 109.779 109.779 116.512 -6.733 19852 2845 1 3 . 1 1 173 173 ASN C C 173 175.979 175.979 175.565 0.414 19852 2846 1 3 . 1 1 173 173 ASN CA C 173 54.579 54.579 53.136 1.443 19852 2847 1 3 . 1 1 173 173 ASN CB C 173 36.424 36.424 39.266 -2.842 19852 2848 1 3 . 1 1 173 173 ASN H H 173 8.016 8.016 8.413 -0.397 19852 2849 1 3 . 1 1 174 174 LEU N N 174 109.248 109.248 122.424 -13.176 19852 2850 1 3 . 1 1 174 174 LEU C C 174 176.566 176.566 176.233 0.333 19852 2851 1 3 . 1 1 174 174 LEU CA C 174 56.336 56.336 55.900 0.436 19852 2852 1 3 . 1 1 174 174 LEU CB C 174 44.037 44.037 41.959 2.078 19852 2853 1 3 . 1 1 174 174 LEU H H 174 7.871 7.871 7.374 0.497 19852 2854 1 3 . 1 1 175 175 GLU N N 175 125.185 125.185 121.846 3.339 19852 2855 1 3 . 1 1 175 175 GLU C C 175 177.445 177.445 175.260 2.185 19852 2856 1 3 . 1 1 175 175 GLU CA C 175 76.247 76.247 54.657 21.590 19852 2857 1 3 . 1 1 175 175 GLU CB C 175 28.811 28.811 33.863 -5.052 19852 2858 1 3 . 1 1 175 175 GLU H H 175 9.127 9.127 8.870 0.257 19852 2859 1 3 . 1 1 176 176 PHE N N 176 136.873 136.873 122.256 14.617 19852 2860 1 3 . 1 1 176 176 PHE C C 176 178.617 178.617 177.245 1.372 19852 2861 1 3 . 1 1 176 176 PHE CA C 176 59.264 59.264 55.777 3.487 19852 2862 1 3 . 1 1 176 176 PHE CB C 176 44.623 44.623 38.180 6.443 19852 2863 1 3 . 1 1 176 176 PHE H H 176 10.058 10.058 8.773 1.285 19852 2864 1 3 . 1 1 177 177 VAL N N 177 118.877 118.877 124.200 -5.323 19852 2865 1 3 . 1 1 177 177 VAL C C 177 177.445 177.445 175.801 1.644 19852 2866 1 3 . 1 1 177 177 VAL CA C 177 62.777 62.777 63.961 -1.184 19852 2867 1 3 . 1 1 177 177 VAL CB C 177 34.668 34.668 32.205 2.463 19852 2868 1 3 . 1 1 177 177 VAL H H 177 7.789 7.789 8.588 -0.799 19852 2869 1 3 . 1 1 178 178 ALA N N 178 128.904 128.904 120.854 8.050 19852 2870 1 3 . 1 1 178 178 ALA CA C 178 57.507 57.507 51.205 6.302 19852 2871 1 3 . 1 1 178 178 ALA CB C 178 19.441 19.441 21.078 -1.637 19852 2872 1 3 . 1 1 178 178 ALA H H 178 7.566 7.566 7.512 0.054 19852 2873 1 3 . 1 1 179 179 MET N N 179 120.736 120.736 123.236 -2.500 19852 2874 1 3 . 1 1 179 179 MET C C 179 176.859 176.859 174.942 1.917 19852 2875 1 3 . 1 1 179 179 MET CA C 179 56.336 56.336 52.539 3.796 19852 2876 1 3 . 1 1 179 179 MET CB C 179 34.668 34.668 33.553 1.115 19852 2877 1 3 . 1 1 179 179 MET H H 179 7.930 7.930 8.428 -0.498 19852 2878 1 3 . 1 1 180 180 PRO C C 180 177.445 177.445 175.716 1.729 19852 2879 1 3 . 1 1 180 180 PRO CA C 180 64.844 64.844 62.370 2.474 19852 2880 1 3 . 1 1 180 180 PRO CB C 180 29.974 29.974 32.126 -2.152 19852 2881 1 3 . 1 1 181 181 ALA N N 181 128.439 128.439 123.417 5.022 19852 2882 1 3 . 1 1 181 181 ALA C C 181 176.273 176.273 175.854 0.419 19852 2883 1 3 . 1 1 181 181 ALA CA C 181 58.092 58.092 52.226 5.866 19852 2884 1 3 . 1 1 181 181 ALA CB C 181 21.198 21.198 19.149 2.049 19852 2885 1 3 . 1 1 181 181 ALA H H 181 8.673 8.673 8.130 0.543 19852 2886 1 3 . 1 1 182 182 LEU N N 182 122.130 122.130 123.465 -1.335 19852 2887 1 3 . 1 1 182 182 LEU C C 182 177.445 177.445 176.832 0.613 19852 2888 1 3 . 1 1 182 182 LEU CA C 182 55.164 55.164 52.434 2.730 19852 2889 1 3 . 1 1 182 182 LEU CB C 182 42.866 42.866 45.357 -2.491 19852 2890 1 3 . 1 1 182 182 LEU H H 182 8.821 8.821 8.130 0.691 19852 2891 1 3 . 1 1 183 183 ALA N N 183 108.783 108.783 125.100 -16.317 19852 2892 1 3 . 1 1 183 183 ALA C C 183 160.742 160.742 175.530 -14.788 19852 2893 1 3 . 1 1 183 183 ALA CA C 183 51.651 51.651 50.704 0.947 19852 2894 1 3 . 1 1 183 183 ALA CB C 183 18.856 18.856 17.968 0.888 19852 2895 1 3 . 1 1 183 183 ALA H H 183 7.621 7.621 8.287 -0.666 19852 2896 1 3 . 1 1 184 184 PRO C C 184 177.152 177.152 174.908 2.244 19852 2897 1 3 . 1 1 184 184 PRO CA C 184 64.258 64.258 62.113 2.145 19852 2898 1 3 . 1 1 184 184 PRO CB C 184 29.681 29.681 31.555 -1.874 19852 2899 1 3 . 1 1 185 185 PRO C C 185 175.686 175.686 177.122 -1.436 19852 2900 1 3 . 1 1 185 185 PRO CA C 185 63.379 63.379 63.288 0.091 19852 2901 1 3 . 1 1 185 185 PRO CB C 185 35.248 35.248 32.116 3.132 19852 2902 1 3 . 1 1 186 186 GLU N N 186 104.931 104.931 124.950 -20.019 19852 2903 1 3 . 1 1 186 186 GLU C C 186 174.221 174.221 176.767 -2.546 19852 2904 1 3 . 1 1 186 186 GLU CA C 186 57.507 57.507 58.529 -1.022 19852 2905 1 3 . 1 1 186 186 GLU CB C 186 31.739 31.739 30.241 1.498 19852 2906 1 3 . 1 1 186 186 GLU H H 186 8.673 8.673 8.792 -0.119 19852 2907 1 3 . 1 1 187 187 VAL N N 187 124.455 124.455 112.677 11.778 19852 2908 1 3 . 1 1 187 187 VAL C C 187 178.910 178.910 174.171 4.739 19852 2909 1 3 . 1 1 187 187 VAL CA C 187 63.363 63.363 60.552 2.811 19852 2910 1 3 . 1 1 187 187 VAL CB C 187 34.082 34.082 34.639 -0.557 19852 2911 1 3 . 1 1 187 187 VAL H H 187 8.622 8.622 7.500 1.122 19852 2912 1 3 . 1 1 188 188 VAL N N 188 128.572 128.572 121.690 6.882 19852 2913 1 3 . 1 1 188 188 VAL C C 188 178.324 178.324 175.420 2.904 19852 2914 1 3 . 1 1 188 188 VAL CA C 188 68.634 68.634 61.903 6.731 19852 2915 1 3 . 1 1 188 188 VAL CB C 188 31.154 31.154 33.012 -1.858 19852 2916 1 3 . 1 1 188 188 VAL H H 188 8.497 8.497 8.204 0.293 19852 2917 1 3 . 1 1 189 189 MET N N 189 122.795 122.795 127.097 -4.302 19852 2918 1 3 . 1 1 189 189 MET C C 189 177.445 177.445 175.224 2.221 19852 2919 1 3 . 1 1 189 189 MET CA C 189 55.164 55.164 54.755 0.409 19852 2920 1 3 . 1 1 189 189 MET CB C 189 35.253 35.253 33.630 1.623 19852 2921 1 3 . 1 1 189 189 MET H H 189 6.991 6.991 8.428 -1.437 19852 2922 1 3 . 1 1 190 190 ASP N N 190 114.959 114.959 128.524 -13.565 19852 2923 1 3 . 1 1 190 190 ASP C C 190 175.686 175.686 175.730 -0.044 19852 2924 1 3 . 1 1 190 190 ASP CA C 190 51.065 51.065 52.415 -1.350 19852 2925 1 3 . 1 1 190 190 ASP CB C 190 41.695 41.695 42.198 -0.503 19852 2926 1 3 . 1 1 190 190 ASP H H 190 7.210 7.210 8.538 -1.328 19852 2927 1 3 . 1 1 191 191 PRO C C 191 176.566 176.566 177.920 -1.354 19852 2928 1 3 . 1 1 191 191 PRO CA C 191 63.965 63.965 65.142 -1.177 19852 2929 1 3 . 1 1 191 191 PRO CB C 191 31.146 31.146 31.784 -0.638 19852 2930 1 3 . 1 1 192 192 ALA N N 192 109.513 109.513 119.553 -10.040 19852 2931 1 3 . 1 1 192 192 ALA CA C 192 53.993 53.993 54.826 -0.833 19852 2932 1 3 . 1 1 192 192 ALA CB C 192 19.441 19.441 18.157 1.284 19852 2933 1 3 . 1 1 192 192 ALA H H 192 7.394 7.394 7.676 -0.282 19852 2934 1 3 . 1 1 193 193 LEU N N 193 119.009 119.009 119.340 -0.331 19852 2935 1 3 . 1 1 193 193 LEU C C 193 175.979 175.979 178.792 -2.813 19852 2936 1 3 . 1 1 193 193 LEU CA C 193 56.336 56.336 57.276 -0.940 19852 2937 1 3 . 1 1 193 193 LEU CB C 193 42.866 42.866 41.424 1.442 19852 2938 1 3 . 1 1 193 193 LEU H H 193 8.340 8.340 7.937 0.403 19852 2939 1 3 . 1 1 194 194 ALA N N 194 121.666 121.666 121.570 0.096 19852 2940 1 3 . 1 1 194 194 ALA C C 194 166.896 166.896 179.286 -12.390 19852 2941 1 3 . 1 1 194 194 ALA CA C 194 55.164 55.164 54.913 0.251 19852 2942 1 3 . 1 1 194 194 ALA CB C 194 16.513 16.513 18.116 -1.603 19852 2943 1 3 . 1 1 194 194 ALA H H 194 8.176 8.176 8.169 0.007 19852 2944 1 3 . 1 1 195 195 ALA N N 195 119.541 119.541 121.147 -1.606 19852 2945 1 3 . 1 1 195 195 ALA C C 195 173.928 173.928 179.488 -5.560 19852 2946 1 3 . 1 1 195 195 ALA CA C 195 57.507 57.507 54.780 2.727 19852 2947 1 3 . 1 1 195 195 ALA CB C 195 19.441 19.441 18.291 1.150 19852 2948 1 3 . 1 1 195 195 ALA H H 195 8.364 8.364 8.159 0.205 19852 2949 1 3 . 1 1 196 196 GLN N N 196 107.322 107.322 119.234 -11.912 19852 2950 1 3 . 1 1 196 196 GLN C C 196 176.273 176.273 178.280 -2.007 19852 2951 1 3 . 1 1 196 196 GLN CA C 196 56.921 56.921 58.565 -1.644 19852 2952 1 3 . 1 1 196 196 GLN CB C 196 29.983 29.983 28.174 1.809 19852 2953 1 3 . 1 1 196 196 GLN H H 196 7.910 7.910 7.943 -0.033 19852 2954 1 3 . 1 1 197 197 TYR N N 197 115.623 115.623 119.185 -3.562 19852 2955 1 3 . 1 1 197 197 TYR CA C 197 67.462 67.462 59.411 8.051 19852 2956 1 3 . 1 1 197 197 TYR CB C 197 41.695 41.695 37.878 3.817 19852 2957 1 3 . 1 1 197 197 TYR H H 197 8.196 8.196 8.240 -0.044 19852 2958 1 3 . 1 1 198 198 GLU N N 198 110.244 110.244 120.199 -9.955 19852 2959 1 3 . 1 1 198 198 GLU C C 198 176.273 176.273 179.003 -2.730 19852 2960 1 3 . 1 1 198 198 GLU CA C 198 53.407 53.407 59.479 -6.072 19852 2961 1 3 . 1 1 198 198 GLU CB C 198 30.568 30.568 29.642 0.926 19852 2962 1 3 . 1 1 198 198 GLU H H 198 7.523 7.523 8.330 -0.807 19852 2963 1 3 . 1 1 199 199 HIS N N 199 118.611 118.611 120.157 -1.546 19852 2964 1 3 . 1 1 199 199 HIS C C 199 175.686 175.686 177.244 -1.558 19852 2965 1 3 . 1 1 199 199 HIS CA C 199 56.921 56.921 59.288 -2.367 19852 2966 1 3 . 1 1 199 199 HIS CB C 199 28.226 28.226 29.808 -1.582 19852 2967 1 3 . 1 1 199 199 HIS H H 199 8.512 8.512 8.383 0.129 19852 2968 1 3 . 1 1 200 200 ASP N N 200 120.736 120.736 120.153 0.583 19852 2969 1 3 . 1 1 200 200 ASP C C 200 176.273 176.273 178.944 -2.671 19852 2970 1 3 . 1 1 200 200 ASP CA C 200 56.921 56.921 57.467 -0.546 19852 2971 1 3 . 1 1 200 200 ASP CB C 200 40.524 40.524 40.478 0.046 19852 2972 1 3 . 1 1 200 200 ASP H H 200 7.519 7.519 8.409 -0.890 19852 2973 1 3 . 1 1 201 201 LEU N N 201 116.353 116.353 120.242 -3.889 19852 2974 1 3 . 1 1 201 201 LEU C C 201 178.910 178.910 179.538 -0.628 19852 2975 1 3 . 1 1 201 201 LEU CA C 201 61.606 61.606 57.859 3.747 19852 2976 1 3 . 1 1 201 201 LEU CB C 201 41.109 41.109 42.016 -0.907 19852 2977 1 3 . 1 1 201 201 LEU H H 201 7.722 7.722 8.079 -0.357 19852 2978 1 3 . 1 1 202 202 GLU N N 202 118.080 118.080 119.349 -1.269 19852 2979 1 3 . 1 1 202 202 GLU C C 202 176.566 176.566 179.260 -2.694 19852 2980 1 3 . 1 1 202 202 GLU CA C 202 56.921 56.921 59.330 -2.409 19852 2981 1 3 . 1 1 202 202 GLU CB C 202 30.568 30.568 29.634 0.934 19852 2982 1 3 . 1 1 202 202 GLU H H 202 8.857 8.857 7.957 0.900 19852 2983 1 3 . 1 1 203 203 VAL N N 203 129.369 129.369 119.489 9.880 19852 2984 1 3 . 1 1 203 203 VAL C C 203 178.617 178.617 177.882 0.735 19852 2985 1 3 . 1 1 203 203 VAL CA C 203 64.534 64.534 66.690 -2.156 19852 2986 1 3 . 1 1 203 203 VAL CB C 203 27.640 27.640 31.551 -3.911 19852 2987 1 3 . 1 1 203 203 VAL H H 203 9.283 9.283 8.139 1.144 19852 2988 1 3 . 1 1 204 204 ALA N N 204 109.580 109.580 118.674 -9.094 19852 2989 1 3 . 1 1 204 204 ALA C C 204 176.859 176.859 179.684 -2.825 19852 2990 1 3 . 1 1 204 204 ALA CA C 204 54.579 54.579 53.129 1.450 19852 2991 1 3 . 1 1 204 204 ALA CB C 204 18.270 18.270 18.563 -0.293 19852 2992 1 3 . 1 1 204 204 ALA H H 204 8.528 8.528 7.698 0.830 19852 2993 1 3 . 1 1 205 205 GLN N N 205 115.756 115.756 119.722 -3.966 19852 2994 1 3 . 1 1 205 205 GLN C C 205 175.979 175.979 178.131 -2.152 19852 2995 1 3 . 1 1 205 205 GLN CA C 205 48.137 48.137 58.417 -10.280 19852 2996 1 3 . 1 1 205 205 GLN CB C 205 25.883 25.883 28.936 -3.053 19852 2997 1 3 . 1 1 205 205 GLN H H 205 7.973 7.973 8.071 -0.098 19852 2998 1 3 . 1 1 206 206 THR N N 206 120.271 120.271 110.726 9.545 19852 2999 1 3 . 1 1 206 206 THR C C 206 176.273 176.273 174.231 2.042 19852 3000 1 3 . 1 1 206 206 THR CA C 206 67.462 67.462 62.331 5.131 19852 3001 1 3 . 1 1 206 206 THR CB C 206 70.390 70.390 67.324 3.066 19852 3002 1 3 . 1 1 206 206 THR H H 206 7.585 7.585 7.709 -0.124 19852 3003 1 3 . 1 1 207 207 THR N N 207 111.970 111.970 111.795 0.175 19852 3004 1 3 . 1 1 207 207 THR C C 207 176.566 176.566 173.996 2.570 19852 3005 1 3 . 1 1 207 207 THR CA C 207 64.534 64.534 64.182 0.352 19852 3006 1 3 . 1 1 207 207 THR CB C 207 72.733 72.733 66.678 6.055 19852 3007 1 3 . 1 1 207 207 THR H H 207 7.468 7.468 7.554 -0.086 19852 3008 1 3 . 1 1 208 208 ALA N N 208 115.623 115.623 121.515 -5.892 19852 3009 1 3 . 1 1 208 208 ALA C C 208 168.947 168.947 177.020 -8.073 19852 3010 1 3 . 1 1 208 208 ALA CA C 208 55.164 55.164 51.807 3.357 19852 3011 1 3 . 1 1 208 208 ALA CB C 208 22.369 22.369 20.136 2.233 19852 3012 1 3 . 1 1 208 208 ALA H H 208 7.390 7.390 7.576 -0.186 19852 3013 1 3 . 1 1 209 209 LEU N N 209 117.814 117.814 117.701 0.113 19852 3014 1 3 . 1 1 209 209 LEU C C 209 176.273 176.273 175.512 0.761 19852 3015 1 3 . 1 1 209 209 LEU CA C 209 58.678 58.678 56.858 1.820 19852 3016 1 3 . 1 1 209 209 LEU CB C 209 46.380 46.380 39.944 6.436 19852 3017 1 3 . 1 1 209 209 LEU H H 209 7.652 7.652 8.303 -0.651 19852 3018 1 3 . 1 1 210 210 PRO C C 210 176.566 176.566 177.164 -0.598 19852 3019 1 3 . 1 1 210 210 PRO CA C 210 63.086 63.086 63.202 -0.116 19852 3020 1 3 . 1 1 210 210 PRO CB C 210 31.146 31.146 31.985 -0.840 19852 3021 1 3 . 1 1 211 211 ASP N N 211 121.134 121.134 125.394 -4.260 19852 3022 1 3 . 1 1 211 211 ASP C C 211 176.273 176.273 178.229 -1.956 19852 3023 1 3 . 1 1 211 211 ASP CA C 211 52.236 52.236 57.818 -5.582 19852 3024 1 3 . 1 1 211 211 ASP CB C 211 42.281 42.281 40.694 1.587 19852 3025 1 3 . 1 1 211 211 ASP H H 211 9.510 9.510 8.992 0.518 19852 3026 1 3 . 1 1 212 212 GLU N N 212 131.162 131.162 119.200 11.962 19852 3027 1 3 . 1 1 212 212 GLU C C 212 176.273 176.273 178.409 -2.136 19852 3028 1 3 . 1 1 212 212 GLU CA C 212 55.164 55.164 59.159 -3.995 19852 3029 1 3 . 1 1 212 212 GLU CB C 212 30.568 30.568 29.460 1.108 19852 3030 1 3 . 1 1 212 212 GLU H H 212 8.399 8.399 8.137 0.262 19852 3031 1 3 . 1 1 213 213 ASP N N 213 115.822 115.822 119.273 -3.451 19852 3032 1 3 . 1 1 213 213 ASP C C 213 174.807 174.807 178.815 -4.008 19852 3033 1 3 . 1 1 213 213 ASP CA C 213 51.065 51.065 56.809 -5.744 19852 3034 1 3 . 1 1 213 213 ASP CB C 213 41.109 41.109 40.375 0.734 19852 3035 1 3 . 1 1 213 213 ASP H H 213 10.699 10.699 7.984 2.715 19852 3036 1 3 . 1 1 214 214 ASP N N 214 112.369 112.369 119.597 -7.228 19852 3037 1 3 . 1 1 214 214 ASP C C 214 178.910 178.910 177.418 1.492 19852 3038 1 3 . 1 1 214 214 ASP CA C 214 54.579 54.579 56.381 -1.802 19852 3039 1 3 . 1 1 214 214 ASP CB C 214 39.353 39.353 40.304 -0.951 19852 3040 1 3 . 1 1 214 214 ASP H H 214 7.464 7.464 8.057 -0.593 19852 3041 1 3 . 1 1 215 215 ASP N N 215 127.244 127.244 119.052 8.192 19852 3042 1 3 . 1 1 215 215 ASP C C 215 176.859 176.859 176.729 0.130 19852 3043 1 3 . 1 1 215 215 ASP CA C 215 54.579 54.579 56.369 -1.790 19852 3044 1 3 . 1 1 215 215 ASP CB C 215 40.524 40.524 41.082 -0.558 19852 3045 1 3 . 1 1 215 215 ASP H H 215 8.301 8.301 8.062 0.239 19852 3046 1 4 . 1 1 2 2 ALA N N 2 131.228 131.228 123.578 7.650 19852 3047 1 4 . 1 1 2 2 ALA C C 2 187.031 187.031 177.655 9.376 19852 3048 1 4 . 1 1 2 2 ALA CA C 2 53.407 53.407 53.244 0.163 19852 3049 1 4 . 1 1 2 2 ALA CB C 2 20.027 20.027 19.036 0.991 19852 3050 1 4 . 1 1 2 2 ALA H H 2 10.644 10.644 8.083 2.561 19852 3051 1 4 . 1 1 3 3 ALA N N 3 124.521 124.521 121.257 3.264 19852 3052 1 4 . 1 1 3 3 ALA C C 3 176.566 176.566 176.808 -0.242 19852 3053 1 4 . 1 1 3 3 ALA CA C 3 49.894 49.894 51.200 -1.306 19852 3054 1 4 . 1 1 3 3 ALA CB C 3 18.270 18.270 19.888 -1.618 19852 3055 1 4 . 1 1 3 3 ALA H H 3 8.669 8.669 7.938 0.731 19852 3056 1 4 . 1 1 4 4 GLN N N 4 118.080 118.080 119.611 -1.531 19852 3057 1 4 . 1 1 4 4 GLN C C 4 176.273 176.273 177.595 -1.322 19852 3058 1 4 . 1 1 4 4 GLN CA C 4 54.579 54.579 55.918 -1.339 19852 3059 1 4 . 1 1 4 4 GLN CB C 4 27.054 27.054 29.248 -2.194 19852 3060 1 4 . 1 1 4 4 GLN H H 4 8.919 8.919 8.451 0.468 19852 3061 1 4 . 1 1 5 5 GLY N N 5 121.002 121.002 109.525 11.477 19852 3062 1 4 . 1 1 5 5 GLY C C 5 181.877 181.877 174.122 7.755 19852 3063 1 4 . 1 1 5 5 GLY CA C 5 45.794 45.794 45.118 0.676 19852 3064 1 4 . 1 1 5 5 GLY H H 5 8.082 8.082 8.721 -0.639 19852 3065 1 4 . 1 1 6 6 GLU N N 6 129.435 129.435 121.446 7.989 19852 3066 1 4 . 1 1 6 6 GLU C C 6 176.566 176.566 174.609 1.957 19852 3067 1 4 . 1 1 6 6 GLU CA C 6 56.336 56.336 54.121 2.215 19852 3068 1 4 . 1 1 6 6 GLU CB C 6 28.811 28.811 30.022 -1.211 19852 3069 1 4 . 1 1 6 6 GLU H H 6 9.267 9.267 8.223 1.044 19852 3070 1 4 . 1 1 7 7 PRO C C 7 176.566 176.566 176.017 0.549 19852 3071 1 4 . 1 1 7 7 PRO CA C 7 63.672 63.672 62.887 0.785 19852 3072 1 4 . 1 1 7 7 PRO CB C 7 31.146 31.146 32.174 -1.028 19852 3073 1 4 . 1 1 8 8 GLN N N 8 112.502 112.502 119.955 -7.453 19852 3074 1 4 . 1 1 8 8 GLN C C 8 177.445 177.445 176.203 1.242 19852 3075 1 4 . 1 1 8 8 GLN CA C 8 50.479 50.479 55.812 -5.333 19852 3076 1 4 . 1 1 8 8 GLN CB C 8 28.811 28.811 28.908 -0.097 19852 3077 1 4 . 1 1 8 8 GLN H H 8 6.220 6.220 8.329 -2.109 19852 3078 1 4 . 1 1 9 9 VAL N N 9 117.416 117.416 125.153 -7.737 19852 3079 1 4 . 1 1 9 9 VAL C C 9 178.324 178.324 174.489 3.835 19852 3080 1 4 . 1 1 9 9 VAL CA C 9 63.363 63.363 62.789 0.574 19852 3081 1 4 . 1 1 9 9 VAL CB C 9 34.668 34.668 31.359 3.309 19852 3082 1 4 . 1 1 9 9 VAL H H 9 6.561 6.561 8.633 -2.072 19852 3083 1 4 . 1 1 10 10 GLN N N 10 113.896 113.896 124.500 -10.604 19852 3084 1 4 . 1 1 10 10 GLN C C 10 176.273 176.273 174.724 1.549 19852 3085 1 4 . 1 1 10 10 GLN CA C 10 55.164 55.164 53.894 1.270 19852 3086 1 4 . 1 1 10 10 GLN CB C 10 28.226 28.226 32.598 -4.372 19852 3087 1 4 . 1 1 10 10 GLN H H 10 7.847 7.847 8.060 -0.213 19852 3088 1 4 . 1 1 11 11 PHE N N 11 118.744 118.744 122.233 -3.489 19852 3089 1 4 . 1 1 11 11 PHE C C 11 176.566 176.566 175.148 1.418 19852 3090 1 4 . 1 1 11 11 PHE CA C 11 59.849 59.849 56.498 3.351 19852 3091 1 4 . 1 1 11 11 PHE CB C 11 41.109 41.109 42.560 -1.451 19852 3092 1 4 . 1 1 11 11 PHE H H 11 8.262 8.262 9.061 -0.799 19852 3093 1 4 . 1 1 12 12 LYS N N 12 124.123 124.123 123.110 1.013 19852 3094 1 4 . 1 1 12 12 LYS C C 12 177.152 177.152 175.100 2.052 19852 3095 1 4 . 1 1 12 12 LYS CA C 12 57.507 57.507 56.015 1.492 19852 3096 1 4 . 1 1 12 12 LYS CB C 12 28.811 28.811 33.205 -4.394 19852 3097 1 4 . 1 1 12 12 LYS H H 12 8.415 8.415 8.802 -0.387 19852 3098 1 4 . 1 1 13 13 LEU N N 13 112.103 112.103 128.183 -16.080 19852 3099 1 4 . 1 1 13 13 LEU C C 13 177.738 177.738 174.538 3.200 19852 3100 1 4 . 1 1 13 13 LEU CA C 13 54.579 54.579 53.279 1.300 19852 3101 1 4 . 1 1 13 13 LEU CB C 13 42.866 42.866 46.084 -3.218 19852 3102 1 4 . 1 1 13 13 LEU H H 13 6.905 6.905 9.097 -2.192 19852 3103 1 4 . 1 1 14 14 VAL N N 14 127.310 127.310 126.580 0.730 19852 3104 1 4 . 1 1 14 14 VAL C C 14 175.393 175.393 173.916 1.477 19852 3105 1 4 . 1 1 14 14 VAL CA C 14 70.976 70.976 61.750 9.226 19852 3106 1 4 . 1 1 14 14 VAL CB C 14 28.811 28.811 33.158 -4.347 19852 3107 1 4 . 1 1 14 14 VAL H H 14 8.305 8.305 8.729 -0.424 19852 3108 1 4 . 1 1 15 15 LEU N N 15 121.400 121.400 131.060 -9.660 19852 3109 1 4 . 1 1 15 15 LEU C C 15 173.342 173.342 175.330 -1.988 19852 3110 1 4 . 1 1 15 15 LEU CA C 15 56.336 56.336 53.265 3.071 19852 3111 1 4 . 1 1 15 15 LEU CB C 15 41.695 41.695 44.521 -2.826 19852 3112 1 4 . 1 1 15 15 LEU H H 15 7.785 7.785 8.403 -0.618 19852 3113 1 4 . 1 1 16 16 VAL N N 16 121.267 121.267 121.517 -0.250 19852 3114 1 4 . 1 1 16 16 VAL C C 16 178.324 178.324 174.430 3.894 19852 3115 1 4 . 1 1 16 16 VAL CA C 16 63.363 63.363 58.869 4.494 19852 3116 1 4 . 1 1 16 16 VAL CB C 16 35.839 35.839 35.474 0.365 19852 3117 1 4 . 1 1 16 16 VAL H H 16 8.935 8.935 8.879 0.056 19852 3118 1 4 . 1 1 17 17 GLY N N 17 127.908 127.908 107.334 20.574 19852 3119 1 4 . 1 1 17 17 GLY C C 17 174.514 174.514 172.368 2.146 19852 3120 1 4 . 1 1 17 17 GLY CA C 17 42.281 42.281 44.872 -2.591 19852 3121 1 4 . 1 1 17 17 GLY H H 17 9.682 9.682 7.291 2.391 19852 3122 1 4 . 1 1 18 18 ASP N N 18 119.673 119.673 120.572 -0.899 19852 3123 1 4 . 1 1 18 18 ASP C C 18 176.859 176.859 176.971 -0.112 19852 3124 1 4 . 1 1 18 18 ASP CA C 18 55.750 55.750 54.738 1.012 19852 3125 1 4 . 1 1 18 18 ASP CB C 18 39.938 39.938 42.226 -2.288 19852 3126 1 4 . 1 1 18 18 ASP H H 18 7.879 7.879 8.448 -0.569 19852 3127 1 4 . 1 1 19 19 GLY N N 19 120.670 120.670 107.707 12.963 19852 3128 1 4 . 1 1 19 19 GLY C C 19 178.324 178.324 175.077 3.247 19852 3129 1 4 . 1 1 19 19 GLY CA C 19 42.281 42.281 45.534 -3.253 19852 3130 1 4 . 1 1 19 19 GLY H H 19 8.825 8.825 8.742 0.083 19852 3131 1 4 . 1 1 20 20 GLY N N 20 129.369 129.369 112.320 17.049 19852 3132 1 4 . 1 1 20 20 GLY C C 20 174.221 174.221 175.963 -1.742 19852 3133 1 4 . 1 1 20 20 GLY CA C 20 41.695 41.695 45.534 -3.839 19852 3134 1 4 . 1 1 20 20 GLY H H 20 8.477 8.477 8.732 -0.255 19852 3135 1 4 . 1 1 21 21 THR N N 21 114.560 114.560 114.332 0.228 19852 3136 1 4 . 1 1 21 21 THR C C 21 178.617 178.617 175.280 3.337 19852 3137 1 4 . 1 1 21 21 THR CA C 21 62.192 62.192 64.905 -2.713 19852 3138 1 4 . 1 1 21 21 THR CB C 21 70.390 70.390 69.218 1.172 19852 3139 1 4 . 1 1 21 21 THR H H 21 8.196 8.196 7.775 0.421 19852 3140 1 4 . 1 1 22 22 GLY N N 22 112.369 112.369 108.193 4.176 19852 3141 1 4 . 1 1 22 22 GLY C C 22 184.807 184.807 175.366 9.441 19852 3142 1 4 . 1 1 22 22 GLY CA C 22 45.209 45.209 44.977 0.232 19852 3143 1 4 . 1 1 22 22 GLY H H 22 6.772 6.772 8.238 -1.466 19852 3144 1 4 . 1 1 23 23 LYS N N 23 124.056 124.056 120.428 3.628 19852 3145 1 4 . 1 1 23 23 LYS C C 23 176.566 176.566 178.048 -1.482 19852 3146 1 4 . 1 1 23 23 LYS CA C 23 56.921 56.921 59.974 -3.053 19852 3147 1 4 . 1 1 23 23 LYS CB C 23 35.839 35.839 32.443 3.397 19852 3148 1 4 . 1 1 23 23 LYS H H 23 8.180 8.180 7.695 0.485 19852 3149 1 4 . 1 1 24 24 THR N N 24 114.627 114.627 113.972 0.655 19852 3150 1 4 . 1 1 24 24 THR C C 24 178.324 178.324 176.802 1.522 19852 3151 1 4 . 1 1 24 24 THR CA C 24 62.192 62.192 67.127 -4.935 19852 3152 1 4 . 1 1 24 24 THR CB C 24 71.562 71.562 68.037 3.525 19852 3153 1 4 . 1 1 24 24 THR H H 24 8.469 8.469 8.432 0.037 19852 3154 1 4 . 1 1 25 25 THR N N 25 110.377 110.377 118.394 -8.017 19852 3155 1 4 . 1 1 25 25 THR C C 25 178.324 178.324 175.833 2.491 19852 3156 1 4 . 1 1 25 25 THR CA C 25 64.534 64.534 67.173 -2.639 19852 3157 1 4 . 1 1 25 25 THR CB C 25 71.562 71.562 68.463 3.099 19852 3158 1 4 . 1 1 25 25 THR H H 25 8.415 8.415 8.102 0.313 19852 3159 1 4 . 1 1 26 26 PHE N N 26 114.295 114.295 122.387 -8.092 19852 3160 1 4 . 1 1 26 26 PHE C C 26 174.514 174.514 177.443 -2.929 19852 3161 1 4 . 1 1 26 26 PHE CA C 26 53.407 53.407 61.197 -7.790 19852 3162 1 4 . 1 1 26 26 PHE CB C 26 40.524 40.524 38.873 1.651 19852 3163 1 4 . 1 1 26 26 PHE H H 26 7.707 7.707 8.300 -0.593 19852 3164 1 4 . 1 1 27 27 VAL N N 27 123.525 123.525 120.330 3.195 19852 3165 1 4 . 1 1 27 27 VAL C C 27 178.031 178.031 177.609 0.422 19852 3166 1 4 . 1 1 27 27 VAL CA C 27 67.462 67.462 66.401 1.060 19852 3167 1 4 . 1 1 27 27 VAL CB C 27 29.397 29.397 31.355 -1.958 19852 3168 1 4 . 1 1 27 27 VAL H H 27 6.987 6.987 8.142 -1.155 19852 3169 1 4 . 1 1 28 28 LYS N N 28 114.228 114.228 117.616 -3.388 19852 3170 1 4 . 1 1 28 28 LYS C C 28 176.566 176.566 177.756 -1.190 19852 3171 1 4 . 1 1 28 28 LYS CA C 28 58.092 58.092 58.225 -0.133 19852 3172 1 4 . 1 1 28 28 LYS CB C 28 34.082 34.082 31.819 2.263 19852 3173 1 4 . 1 1 28 28 LYS H H 28 7.429 7.429 7.845 -0.416 19852 3174 1 4 . 1 1 29 29 ARG N N 29 112.037 112.037 116.863 -4.826 19852 3175 1 4 . 1 1 29 29 ARG C C 29 174.221 174.221 176.564 -2.343 19852 3176 1 4 . 1 1 29 29 ARG CA C 29 72.147 72.147 58.338 13.809 19852 3177 1 4 . 1 1 29 29 ARG CB C 29 37.596 37.596 30.154 7.442 19852 3178 1 4 . 1 1 29 29 ARG H H 29 6.803 6.803 7.070 -0.267 19852 3179 1 4 . 1 1 30 30 HIS N N 30 122.396 122.396 119.336 3.060 19852 3180 1 4 . 1 1 30 30 HIS C C 30 172.170 172.170 176.009 -3.839 19852 3181 1 4 . 1 1 30 30 HIS CA C 30 51.651 51.651 55.786 -4.136 19852 3182 1 4 . 1 1 30 30 HIS CB C 30 30.568 30.568 29.953 0.615 19852 3183 1 4 . 1 1 30 30 HIS H H 30 7.644 7.644 7.208 0.435 19852 3184 1 4 . 1 1 31 31 LEU N N 31 110.377 110.377 127.733 -17.356 19852 3185 1 4 . 1 1 31 31 LEU C C 31 178.031 178.031 178.251 -0.220 19852 3186 1 4 . 1 1 31 31 LEU CA C 31 55.164 55.164 57.892 -2.728 19852 3187 1 4 . 1 1 31 31 LEU CB C 31 42.281 42.281 41.606 0.674 19852 3188 1 4 . 1 1 31 31 LEU H H 31 7.894 7.894 7.830 0.064 19852 3189 1 4 . 1 1 32 32 THR N N 32 118.213 118.213 114.158 4.055 19852 3190 1 4 . 1 1 32 32 THR C C 32 178.910 178.910 176.473 2.437 19852 3191 1 4 . 1 1 32 32 THR CA C 32 63.949 63.949 67.290 -3.341 19852 3192 1 4 . 1 1 32 32 THR CB C 32 72.733 72.733 68.015 4.718 19852 3193 1 4 . 1 1 32 32 THR H H 32 7.570 7.570 8.023 -0.453 19852 3194 1 4 . 1 1 33 33 GLY N N 33 127.841 127.841 109.141 18.700 19852 3195 1 4 . 1 1 33 33 GLY C C 33 161.914 161.914 176.510 -14.596 19852 3196 1 4 . 1 1 33 33 GLY CA C 33 42.866 42.866 46.877 -4.011 19852 3197 1 4 . 1 1 33 33 GLY H H 33 9.662 9.662 8.246 1.416 19852 3198 1 4 . 1 1 34 34 GLU N N 34 122.263 122.263 123.925 -1.662 19852 3199 1 4 . 1 1 34 34 GLU C C 34 176.859 176.859 179.381 -2.522 19852 3200 1 4 . 1 1 34 34 GLU CA C 34 51.651 51.651 58.347 -6.696 19852 3201 1 4 . 1 1 34 34 GLU CB C 34 29.397 29.397 29.351 0.046 19852 3202 1 4 . 1 1 34 34 GLU H H 34 7.140 7.140 7.922 -0.782 19852 3203 1 4 . 1 1 35 35 PHE N N 35 111.838 111.838 118.013 -6.175 19852 3204 1 4 . 1 1 35 35 PHE C C 35 174.221 174.221 177.564 -3.343 19852 3205 1 4 . 1 1 35 35 PHE CA C 35 49.308 49.308 59.764 -10.456 19852 3206 1 4 . 1 1 35 35 PHE CB C 35 41.695 41.695 38.670 3.025 19852 3207 1 4 . 1 1 35 35 PHE H H 35 6.772 6.772 7.916 -1.144 19852 3208 1 4 . 1 1 36 36 GLU N N 36 124.388 124.388 116.026 8.362 19852 3209 1 4 . 1 1 36 36 GLU C C 36 176.859 176.859 175.996 0.863 19852 3210 1 4 . 1 1 36 36 GLU CA C 36 58.092 58.092 56.047 2.045 19852 3211 1 4 . 1 1 36 36 GLU CB C 36 30.568 30.568 29.969 0.599 19852 3212 1 4 . 1 1 36 36 GLU H H 36 7.734 7.734 8.106 -0.372 19852 3213 1 4 . 1 1 37 37 LYS N N 37 118.810 118.810 119.857 -1.047 19852 3214 1 4 . 1 1 37 37 LYS C C 37 172.756 172.756 176.346 -3.590 19852 3215 1 4 . 1 1 37 37 LYS CA C 37 48.137 48.137 56.613 -8.476 19852 3216 1 4 . 1 1 37 37 LYS CB C 37 37.010 37.010 32.932 4.078 19852 3217 1 4 . 1 1 37 37 LYS H H 37 8.509 8.509 7.239 1.270 19852 3218 1 4 . 1 1 38 38 LYS N N 38 108.052 108.052 123.802 -15.750 19852 3219 1 4 . 1 1 38 38 LYS C C 38 176.273 176.273 174.711 1.562 19852 3220 1 4 . 1 1 38 38 LYS CA C 38 59.849 59.849 54.251 5.598 19852 3221 1 4 . 1 1 38 38 LYS CB C 38 34.668 34.668 34.857 -0.189 19852 3222 1 4 . 1 1 38 38 LYS H H 38 7.715 7.715 8.498 -0.783 19852 3223 1 4 . 1 1 39 39 TYR N N 39 108.650 108.650 125.646 -16.996 19852 3224 1 4 . 1 1 39 39 TYR C C 39 175.686 175.686 175.586 0.100 19852 3225 1 4 . 1 1 39 39 TYR CA C 39 61.020 61.020 57.111 3.909 19852 3226 1 4 . 1 1 39 39 TYR CB C 39 36.424 36.424 39.609 -3.185 19852 3227 1 4 . 1 1 39 39 TYR H H 39 7.362 7.362 8.659 -1.297 19852 3228 1 4 . 1 1 40 40 VAL N N 40 117.947 117.947 128.706 -10.759 19852 3229 1 4 . 1 1 40 40 VAL C C 40 175.393 175.393 174.771 0.622 19852 3230 1 4 . 1 1 40 40 VAL CA C 40 61.020 61.020 60.739 0.281 19852 3231 1 4 . 1 1 40 40 VAL CB C 40 31.154 31.154 31.819 -0.665 19852 3232 1 4 . 1 1 40 40 VAL H H 40 8.442 8.442 8.544 -0.102 19852 3233 1 4 . 1 1 42 42 THR N N 42 117.150 117.150 110.448 6.702 19852 3234 1 4 . 1 1 42 42 THR C C 42 178.910 178.910 175.980 2.930 19852 3235 1 4 . 1 1 42 42 THR CA C 42 60.435 60.435 64.672 -4.237 19852 3236 1 4 . 1 1 42 42 THR CB C 42 70.390 70.390 68.282 2.108 19852 3237 1 4 . 1 1 42 42 THR H H 42 8.192 8.192 8.036 0.156 19852 3238 1 4 . 1 1 43 43 LEU N N 43 119.209 119.209 119.919 -0.710 19852 3239 1 4 . 1 1 43 43 LEU C C 43 174.807 174.807 176.842 -2.035 19852 3240 1 4 . 1 1 43 43 LEU CA C 43 57.507 57.507 54.509 2.998 19852 3241 1 4 . 1 1 43 43 LEU CB C 43 42.866 42.866 42.164 0.702 19852 3242 1 4 . 1 1 43 43 LEU H H 43 9.260 9.260 7.658 1.602 19852 3243 1 4 . 1 1 44 44 GLY N N 44 114.361 114.361 107.630 6.731 19852 3244 1 4 . 1 1 44 44 GLY C C 44 178.910 178.910 173.313 5.597 19852 3245 1 4 . 1 1 44 44 GLY CA C 44 54.579 54.579 45.831 8.748 19852 3246 1 4 . 1 1 44 44 GLY H H 44 6.979 6.979 7.886 -0.907 19852 3247 1 4 . 1 1 45 45 VAL N N 45 110.244 110.244 117.918 -7.674 19852 3248 1 4 . 1 1 45 45 VAL C C 45 174.807 174.807 173.741 1.066 19852 3249 1 4 . 1 1 45 45 VAL CA C 45 63.363 63.363 60.763 2.600 19852 3250 1 4 . 1 1 45 45 VAL CB C 45 17.099 17.099 35.369 -18.270 19852 3251 1 4 . 1 1 45 45 VAL H H 45 8.309 8.309 7.232 1.077 19852 3252 1 4 . 1 1 46 46 GLU N N 46 130.365 130.365 125.866 4.499 19852 3253 1 4 . 1 1 46 46 GLU C C 46 176.859 176.859 175.151 1.708 19852 3254 1 4 . 1 1 46 46 GLU CA C 46 55.164 55.164 54.585 0.579 19852 3255 1 4 . 1 1 46 46 GLU CB C 46 32.325 32.325 32.341 -0.016 19852 3256 1 4 . 1 1 46 46 GLU H H 46 9.741 9.741 9.133 0.608 19852 3257 1 4 . 1 1 47 47 VAL N N 47 115.623 115.623 128.018 -12.395 19852 3258 1 4 . 1 1 47 47 VAL C C 47 178.324 178.324 174.898 3.426 19852 3259 1 4 . 1 1 47 47 VAL CA C 47 63.363 63.363 61.434 1.929 19852 3260 1 4 . 1 1 47 47 VAL CB C 47 32.911 32.911 32.316 0.595 19852 3261 1 4 . 1 1 47 47 VAL H H 47 7.339 7.339 9.029 -1.690 19852 3262 1 4 . 1 1 48 48 HIS N N 48 129.236 129.236 127.431 1.805 19852 3263 1 4 . 1 1 48 48 HIS C C 48 169.240 169.240 173.195 -3.955 19852 3264 1 4 . 1 1 48 48 HIS CA C 48 49.894 49.894 53.486 -3.591 19852 3265 1 4 . 1 1 48 48 HIS CB C 48 27.640 27.640 32.312 -4.672 19852 3266 1 4 . 1 1 48 48 HIS H H 48 10.390 10.390 9.442 0.948 19852 3267 1 4 . 1 1 49 49 PRO C C 49 176.273 176.273 175.614 0.659 19852 3268 1 4 . 1 1 49 49 PRO CA C 49 62.500 62.500 62.718 -0.218 19852 3269 1 4 . 1 1 49 49 PRO CB C 49 29.974 29.974 31.559 -1.585 19852 3270 1 4 . 1 1 50 50 LEU N N 50 119.408 119.408 129.027 -9.619 19852 3271 1 4 . 1 1 50 50 LEU C C 50 177.445 177.445 175.257 2.188 19852 3272 1 4 . 1 1 50 50 LEU CA C 50 59.264 59.264 53.992 5.272 19852 3273 1 4 . 1 1 50 50 LEU CB C 50 42.281 42.281 42.550 -0.269 19852 3274 1 4 . 1 1 50 50 LEU H H 50 7.492 7.492 8.882 -1.390 19852 3275 1 4 . 1 1 51 51 VAL N N 51 117.947 117.947 124.419 -6.472 19852 3276 1 4 . 1 1 51 51 VAL C C 51 174.514 174.514 174.959 -0.445 19852 3277 1 4 . 1 1 51 51 VAL CA C 51 64.534 64.534 61.665 2.869 19852 3278 1 4 . 1 1 51 51 VAL CB C 51 37.010 37.010 33.046 3.964 19852 3279 1 4 . 1 1 51 51 VAL H H 51 7.715 7.715 8.045 -0.330 19852 3280 1 4 . 1 1 52 52 PHE N N 52 124.853 124.853 125.088 -0.235 19852 3281 1 4 . 1 1 52 52 PHE C C 52 175.100 175.100 173.774 1.326 19852 3282 1 4 . 1 1 52 52 PHE CA C 52 56.336 56.336 56.073 0.263 19852 3283 1 4 . 1 1 52 52 PHE CB C 52 39.938 39.938 42.219 -2.281 19852 3284 1 4 . 1 1 52 52 PHE H H 52 8.935 8.935 8.921 0.014 19852 3285 1 4 . 1 1 53 53 HIS N N 53 120.603 120.603 123.826 -3.223 19852 3286 1 4 . 1 1 53 53 HIS C C 53 170.119 170.119 174.291 -4.172 19852 3287 1 4 . 1 1 53 53 HIS CA C 53 55.164 55.164 55.259 -0.095 19852 3288 1 4 . 1 1 53 53 HIS CB C 53 30.568 30.568 31.899 -1.331 19852 3289 1 4 . 1 1 53 53 HIS H H 53 8.356 8.356 9.059 -0.703 19852 3290 1 4 . 1 1 54 54 THR N N 54 112.634 112.634 119.336 -6.702 19852 3291 1 4 . 1 1 54 54 THR C C 54 178.910 178.910 176.421 2.489 19852 3292 1 4 . 1 1 54 54 THR CA C 54 63.363 63.363 59.551 3.812 19852 3293 1 4 . 1 1 54 54 THR CB C 54 72.733 72.733 71.612 1.121 19852 3294 1 4 . 1 1 54 54 THR H H 54 7.574 7.574 8.158 -0.584 19852 3295 1 4 . 1 1 55 55 ASN N N 55 131.095 131.095 120.163 10.932 19852 3296 1 4 . 1 1 55 55 ASN C C 55 176.273 176.273 176.676 -0.403 19852 3297 1 4 . 1 1 55 55 ASN CA C 55 51.065 51.065 55.867 -4.802 19852 3298 1 4 . 1 1 55 55 ASN CB C 55 37.010 37.010 38.378 -1.368 19852 3299 1 4 . 1 1 55 55 ASN H H 55 10.187 10.187 8.632 1.555 19852 3300 1 4 . 1 1 56 56 ARG N N 56 122.064 122.064 117.681 4.383 19852 3301 1 4 . 1 1 56 56 ARG C C 56 175.100 175.100 176.002 -0.902 19852 3302 1 4 . 1 1 56 56 ARG CA C 56 61.606 61.606 55.905 5.701 19852 3303 1 4 . 1 1 56 56 ARG CB C 56 32.911 32.911 30.694 2.217 19852 3304 1 4 . 1 1 56 56 ARG H H 56 7.433 7.433 7.676 -0.243 19852 3305 1 4 . 1 1 57 57 GLY N N 57 127.709 127.709 107.754 19.955 19852 3306 1 4 . 1 1 57 57 GLY C C 57 175.979 175.979 171.682 4.297 19852 3307 1 4 . 1 1 57 57 GLY CA C 57 42.281 42.281 44.078 -1.797 19852 3308 1 4 . 1 1 57 57 GLY H H 57 9.373 9.373 7.408 1.965 19852 3309 1 4 . 1 1 58 58 PRO C C 58 177.152 177.152 175.788 1.364 19852 3310 1 4 . 1 1 58 58 PRO CA C 58 65.137 65.137 63.096 2.041 19852 3311 1 4 . 1 1 58 58 PRO CB C 58 29.095 29.095 32.220 -3.125 19852 3312 1 4 . 1 1 59 59 ILE N N 59 128.638 128.638 122.552 6.086 19852 3313 1 4 . 1 1 59 59 ILE C C 59 175.979 175.979 174.690 1.289 19852 3314 1 4 . 1 1 59 59 ILE CA C 59 65.120 65.120 60.200 4.920 19852 3315 1 4 . 1 1 59 59 ILE CB C 59 40.524 40.524 41.655 -1.131 19852 3316 1 4 . 1 1 59 59 ILE H H 59 8.794 8.794 8.954 -0.160 19852 3317 1 4 . 1 1 60 60 LYS N N 60 115.756 115.756 125.252 -9.496 19852 3318 1 4 . 1 1 60 60 LYS C C 60 175.979 175.979 175.452 0.527 19852 3319 1 4 . 1 1 60 60 LYS CA C 60 56.921 56.921 54.564 2.357 19852 3320 1 4 . 1 1 60 60 LYS CB C 60 32.325 32.325 34.804 -2.479 19852 3321 1 4 . 1 1 60 60 LYS H H 60 7.253 7.253 8.829 -1.576 19852 3322 1 4 . 1 1 61 61 PHE N N 61 120.670 120.670 123.871 -3.201 19852 3323 1 4 . 1 1 61 61 PHE C C 61 175.393 175.393 175.245 0.148 19852 3324 1 4 . 1 1 61 61 PHE CA C 61 57.507 57.507 56.835 0.672 19852 3325 1 4 . 1 1 61 61 PHE CB C 61 41.109 41.109 41.090 0.019 19852 3326 1 4 . 1 1 61 61 PHE H H 61 7.515 7.515 9.465 -1.950 19852 3327 1 4 . 1 1 62 62 ASN N N 62 119.076 119.076 124.617 -5.541 19852 3328 1 4 . 1 1 62 62 ASN C C 62 175.100 175.100 174.624 0.476 19852 3329 1 4 . 1 1 62 62 ASN CA C 62 53.407 53.407 53.304 0.103 19852 3330 1 4 . 1 1 62 62 ASN CB C 62 38.767 38.767 39.099 -0.332 19852 3331 1 4 . 1 1 62 62 ASN H H 62 7.558 7.558 9.400 -1.842 19852 3332 1 4 . 1 1 63 63 VAL N N 63 106.127 106.127 125.611 -19.484 19852 3333 1 4 . 1 1 63 63 VAL C C 63 175.100 175.100 175.790 -0.690 19852 3334 1 4 . 1 1 63 63 VAL CA C 63 61.020 61.020 62.750 -1.730 19852 3335 1 4 . 1 1 63 63 VAL CB C 63 31.154 31.154 32.536 -1.382 19852 3336 1 4 . 1 1 63 63 VAL H H 63 8.113 8.113 9.193 -1.080 19852 3337 1 4 . 1 1 64 64 TRP N N 64 129.302 129.302 130.282 -0.980 19852 3338 1 4 . 1 1 64 64 TRP C C 64 177.152 177.152 175.298 1.854 19852 3339 1 4 . 1 1 64 64 TRP CA C 64 59.264 59.264 55.540 3.724 19852 3340 1 4 . 1 1 64 64 TRP CB C 64 29.397 29.397 29.488 -0.091 19852 3341 1 4 . 1 1 64 64 TRP H H 64 8.970 8.970 9.632 -0.662 19852 3342 1 4 . 1 1 65 65 ASP N N 65 119.607 119.607 123.036 -3.429 19852 3343 1 4 . 1 1 65 65 ASP C C 65 174.514 174.514 176.119 -1.605 19852 3344 1 4 . 1 1 65 65 ASP CA C 65 55.164 55.164 52.394 2.770 19852 3345 1 4 . 1 1 65 65 ASP CB C 65 41.109 41.109 45.186 -4.077 19852 3346 1 4 . 1 1 65 65 ASP H H 65 8.638 8.638 9.262 -0.624 19852 3347 1 4 . 1 1 66 66 THR N N 66 122.463 122.463 115.081 7.382 19852 3348 1 4 . 1 1 66 66 THR C C 66 178.617 178.617 174.647 3.970 19852 3349 1 4 . 1 1 66 66 THR CA C 66 68.048 68.048 61.465 6.583 19852 3350 1 4 . 1 1 66 66 THR CB C 66 71.562 71.562 70.048 1.514 19852 3351 1 4 . 1 1 66 66 THR H H 66 8.293 8.293 8.482 -0.189 19852 3352 1 4 . 1 1 67 67 ALA N N 67 104.865 104.865 123.319 -18.454 19852 3353 1 4 . 1 1 67 67 ALA C C 67 177.738 177.738 177.899 -0.161 19852 3354 1 4 . 1 1 67 67 ALA CA C 67 48.722 48.722 51.746 -3.024 19852 3355 1 4 . 1 1 67 67 ALA CB C 67 14.171 14.171 18.730 -4.559 19852 3356 1 4 . 1 1 67 67 ALA H H 67 8.657 8.657 8.393 0.264 19852 3357 1 4 . 1 1 68 68 GLY N N 68 115.357 115.357 107.394 7.963 19852 3358 1 4 . 1 1 68 68 GLY C C 68 189.533 189.533 176.211 13.322 19852 3359 1 4 . 1 1 68 68 GLY CA C 68 45.209 45.209 45.459 -0.250 19852 3360 1 4 . 1 1 68 68 GLY H H 68 10.969 10.969 7.707 3.262 19852 3361 1 4 . 1 1 69 69 GLN N N 69 110.111 110.111 119.635 -9.524 19852 3362 1 4 . 1 1 69 69 GLN C C 69 176.859 176.859 177.499 -0.640 19852 3363 1 4 . 1 1 69 69 GLN CA C 69 55.750 55.750 58.995 -3.245 19852 3364 1 4 . 1 1 69 69 GLN CB C 69 27.640 27.640 28.271 -0.631 19852 3365 1 4 . 1 1 69 69 GLN H H 69 8.344 8.344 8.743 -0.399 19852 3366 1 4 . 1 1 70 70 GLU N N 70 114.826 114.826 118.221 -3.395 19852 3367 1 4 . 1 1 70 70 GLU C C 70 176.273 176.273 177.887 -1.614 19852 3368 1 4 . 1 1 70 70 GLU CA C 70 57.507 57.507 58.734 -1.227 19852 3369 1 4 . 1 1 70 70 GLU CB C 70 28.811 28.811 29.414 -0.603 19852 3370 1 4 . 1 1 70 70 GLU H H 70 9.651 9.651 8.672 0.979 19852 3371 1 4 . 1 1 71 71 LYS N N 71 116.685 116.685 117.876 -1.191 19852 3372 1 4 . 1 1 71 71 LYS C C 71 175.979 175.979 178.763 -2.784 19852 3373 1 4 . 1 1 71 71 LYS CA C 71 48.722 48.722 58.379 -9.657 19852 3374 1 4 . 1 1 71 71 LYS CB C 71 37.010 37.010 32.346 4.664 19852 3375 1 4 . 1 1 71 71 LYS H H 71 8.712 8.712 7.757 0.955 19852 3376 1 4 . 1 1 72 72 PHE N N 72 114.959 114.959 117.531 -2.572 19852 3377 1 4 . 1 1 72 72 PHE C C 72 175.686 175.686 176.717 -1.031 19852 3378 1 4 . 1 1 72 72 PHE CA C 72 56.336 56.336 59.487 -3.151 19852 3379 1 4 . 1 1 72 72 PHE CB C 72 36.424 36.424 39.731 -3.307 19852 3380 1 4 . 1 1 72 72 PHE H H 72 7.965 7.965 7.583 0.382 19852 3381 1 4 . 1 1 73 73 GLY N N 73 117.084 117.084 104.387 12.697 19852 3382 1 4 . 1 1 73 73 GLY C C 73 168.068 168.068 172.598 -4.530 19852 3383 1 4 . 1 1 73 73 GLY CA C 73 42.281 42.281 44.961 -2.680 19852 3384 1 4 . 1 1 73 73 GLY H H 73 7.609 7.609 8.063 -0.454 19852 3385 1 4 . 1 1 74 74 GLY N N 74 120.537 120.537 106.292 14.245 19852 3386 1 4 . 1 1 74 74 GLY C C 74 174.514 174.514 174.315 0.199 19852 3387 1 4 . 1 1 74 74 GLY CA C 74 44.037 44.037 44.351 -0.314 19852 3388 1 4 . 1 1 74 74 GLY H H 74 9.326 9.326 8.327 0.999 19852 3389 1 4 . 1 1 75 75 LEU N N 75 127.177 127.177 120.643 6.534 19852 3390 1 4 . 1 1 75 75 LEU C C 75 178.617 178.617 177.314 1.303 19852 3391 1 4 . 1 1 75 75 LEU CA C 75 53.407 53.407 53.949 -0.541 19852 3392 1 4 . 1 1 75 75 LEU CB C 75 42.281 42.281 43.438 -1.157 19852 3393 1 4 . 1 1 75 75 LEU H H 75 7.628 7.628 8.690 -1.062 19852 3394 1 4 . 1 1 76 76 ARG N N 76 116.486 116.486 122.335 -5.849 19852 3395 1 4 . 1 1 76 76 ARG C C 76 176.859 176.859 177.157 -0.298 19852 3396 1 4 . 1 1 76 76 ARG CA C 76 59.264 59.264 56.564 2.700 19852 3397 1 4 . 1 1 76 76 ARG CB C 76 31.154 31.154 31.085 0.069 19852 3398 1 4 . 1 1 76 76 ARG H H 76 7.143 7.143 8.582 -1.439 19852 3399 1 4 . 1 1 77 77 ASP N N 77 129.236 129.236 122.520 6.716 19852 3400 1 4 . 1 1 77 77 ASP C C 77 177.152 177.152 178.531 -1.379 19852 3401 1 4 . 1 1 77 77 ASP CA C 77 52.822 52.822 57.700 -4.878 19852 3402 1 4 . 1 1 77 77 ASP CB C 77 41.695 41.695 40.576 1.119 19852 3403 1 4 . 1 1 77 77 ASP H H 77 8.947 8.947 8.932 0.015 19852 3404 1 4 . 1 1 78 78 GLY N N 78 127.244 127.244 107.247 19.997 19852 3405 1 4 . 1 1 78 78 GLY C C 78 173.928 173.928 175.277 -1.349 19852 3406 1 4 . 1 1 78 78 GLY CA C 78 44.623 44.623 47.010 -2.387 19852 3407 1 4 . 1 1 78 78 GLY H H 78 8.219 8.219 8.577 -0.358 19852 3408 1 4 . 1 1 79 79 TYR N N 79 120.537 120.537 120.844 -0.307 19852 3409 1 4 . 1 1 79 79 TYR C C 79 176.273 176.273 176.109 0.164 19852 3410 1 4 . 1 1 79 79 TYR CA C 79 58.678 58.678 60.904 -2.226 19852 3411 1 4 . 1 1 79 79 TYR CB C 79 40.524 40.524 38.792 1.732 19852 3412 1 4 . 1 1 79 79 TYR H H 79 8.563 8.563 7.631 0.932 19852 3413 1 4 . 1 1 80 80 TYR N N 80 115.822 115.822 113.939 1.883 19852 3414 1 4 . 1 1 80 80 TYR C C 80 175.979 175.979 176.864 -0.885 19852 3415 1 4 . 1 1 80 80 TYR CA C 80 58.092 58.092 59.782 -1.690 19852 3416 1 4 . 1 1 80 80 TYR CB C 80 38.181 38.181 38.499 -0.318 19852 3417 1 4 . 1 1 80 80 TYR H H 80 7.194 7.194 7.444 -0.250 19852 3418 1 4 . 1 1 81 81 ILE N N 81 120.072 120.072 118.203 1.869 19852 3419 1 4 . 1 1 81 81 ILE C C 81 177.445 177.445 175.355 2.090 19852 3420 1 4 . 1 1 81 81 ILE CA C 81 67.462 67.462 63.613 3.849 19852 3421 1 4 . 1 1 81 81 ILE CB C 81 41.109 41.109 37.979 3.130 19852 3422 1 4 . 1 1 81 81 ILE H H 81 8.837 8.837 7.860 0.977 19852 3423 1 4 . 1 1 82 82 GLN N N 82 109.580 109.580 119.005 -9.425 19852 3424 1 4 . 1 1 82 82 GLN C C 82 177.152 177.152 174.827 2.325 19852 3425 1 4 . 1 1 82 82 GLN CA C 82 56.336 56.336 56.438 -0.102 19852 3426 1 4 . 1 1 82 82 GLN CB C 82 24.126 24.126 26.755 -2.629 19852 3427 1 4 . 1 1 82 82 GLN H H 82 8.493 8.493 8.637 -0.144 19852 3428 1 4 . 1 1 83 83 ALA N N 83 109.713 109.713 121.258 -11.545 19852 3429 1 4 . 1 1 83 83 ALA C C 83 175.979 175.979 177.232 -1.253 19852 3430 1 4 . 1 1 83 83 ALA CA C 83 54.579 54.579 53.027 1.552 19852 3431 1 4 . 1 1 83 83 ALA CB C 83 16.513 16.513 19.687 -3.174 19852 3432 1 4 . 1 1 83 83 ALA H H 83 6.306 6.306 7.460 -1.154 19852 3433 1 4 . 1 1 84 84 GLN N N 84 131.380 131.380 122.377 9.003 19852 3434 1 4 . 1 1 84 84 GLN C C 84 175.686 175.686 175.951 -0.265 19852 3435 1 4 . 1 1 84 84 GLN CA C 84 51.065 51.065 56.873 -5.808 19852 3436 1 4 . 1 1 84 84 GLN CB C 84 32.325 32.325 30.959 1.366 19852 3437 1 4 . 1 1 84 84 GLN H H 84 11.169 11.169 8.672 2.497 19852 3438 1 4 . 1 1 85 85 CYS N N 85 124.322 124.322 111.763 12.559 19852 3439 1 4 . 1 1 85 85 CYS C C 85 173.049 173.049 172.646 0.403 19852 3440 1 4 . 1 1 85 85 CYS CA C 85 57.507 57.507 56.063 1.444 19852 3441 1 4 . 1 1 85 85 CYS CB C 85 35.253 35.253 31.669 3.584 19852 3442 1 4 . 1 1 85 85 CYS H H 85 8.602 8.602 7.960 0.642 19852 3443 1 4 . 1 1 86 86 ALA N N 86 114.295 114.295 121.559 -7.264 19852 3444 1 4 . 1 1 86 86 ALA CA C 86 57.507 57.507 50.827 6.680 19852 3445 1 4 . 1 1 86 86 ALA CB C 86 21.784 21.784 22.720 -0.936 19852 3446 1 4 . 1 1 86 86 ALA H H 86 6.897 6.897 8.827 -1.930 19852 3447 1 4 . 1 1 87 87 ILE N N 87 120.670 120.670 120.601 0.069 19852 3448 1 4 . 1 1 87 87 ILE C C 87 173.928 173.928 174.776 -0.848 19852 3449 1 4 . 1 1 87 87 ILE CA C 87 61.020 61.020 59.929 1.091 19852 3450 1 4 . 1 1 87 87 ILE CB C 87 39.938 39.938 41.263 -1.325 19852 3451 1 4 . 1 1 87 87 ILE H H 87 8.282 8.282 8.636 -0.354 19852 3452 1 4 . 1 1 88 88 ILE N N 88 120.205 120.205 127.239 -7.034 19852 3453 1 4 . 1 1 88 88 ILE C C 88 173.635 173.635 175.126 -1.491 19852 3454 1 4 . 1 1 88 88 ILE CA C 88 64.534 64.534 60.022 4.512 19852 3455 1 4 . 1 1 88 88 ILE CB C 88 37.596 37.596 40.065 -2.469 19852 3456 1 4 . 1 1 88 88 ILE H H 88 5.528 5.528 8.956 -3.428 19852 3457 1 4 . 1 1 89 89 MET N N 89 119.209 119.209 126.122 -6.913 19852 3458 1 4 . 1 1 89 89 MET C C 89 176.566 176.566 175.583 0.983 19852 3459 1 4 . 1 1 89 89 MET CA C 89 56.921 56.921 54.207 2.714 19852 3460 1 4 . 1 1 89 89 MET CB C 89 34.668 34.668 35.298 -0.630 19852 3461 1 4 . 1 1 89 89 MET H H 89 8.164 8.164 8.870 -0.706 19852 3462 1 4 . 1 1 90 90 PHE N N 90 121.134 121.134 119.439 1.695 19852 3463 1 4 . 1 1 90 90 PHE C C 90 175.393 175.393 173.140 2.253 19852 3464 1 4 . 1 1 90 90 PHE CA C 90 60.435 60.435 55.133 5.303 19852 3465 1 4 . 1 1 90 90 PHE CB C 90 38.767 38.767 42.158 -3.391 19852 3466 1 4 . 1 1 90 90 PHE H H 90 9.334 9.334 8.892 0.442 19852 3467 1 4 . 1 1 91 91 ASP N N 91 125.185 125.185 120.532 4.653 19852 3468 1 4 . 1 1 91 91 ASP C C 91 176.566 176.566 178.164 -1.598 19852 3469 1 4 . 1 1 91 91 ASP CA C 91 52.822 52.822 52.013 0.809 19852 3470 1 4 . 1 1 91 91 ASP CB C 91 39.938 39.938 43.136 -3.198 19852 3471 1 4 . 1 1 91 91 ASP H H 91 9.056 9.056 8.650 0.406 19852 3472 1 4 . 1 1 92 92 VAL N N 92 115.158 115.158 123.318 -8.160 19852 3473 1 4 . 1 1 92 92 VAL C C 92 173.342 173.342 176.471 -3.129 19852 3474 1 4 . 1 1 92 92 VAL CA C 92 64.534 64.534 64.716 -0.182 19852 3475 1 4 . 1 1 92 92 VAL CB C 92 37.596 37.596 31.278 6.318 19852 3476 1 4 . 1 1 92 92 VAL H H 92 7.738 7.738 8.673 -0.935 19852 3477 1 4 . 1 1 93 93 THR N N 93 112.302 112.302 110.291 2.011 19852 3478 1 4 . 1 1 93 93 THR C C 93 177.152 177.152 174.712 2.440 19852 3479 1 4 . 1 1 93 93 THR CA C 93 64.534 64.534 62.970 1.564 19852 3480 1 4 . 1 1 93 93 THR CB C 93 72.147 72.147 69.230 2.917 19852 3481 1 4 . 1 1 93 93 THR H H 93 7.269 7.269 8.296 -1.027 19852 3482 1 4 . 1 1 94 94 SER N N 94 122.263 122.263 116.283 5.980 19852 3483 1 4 . 1 1 94 94 SER C C 94 163.965 163.965 174.990 -11.025 19852 3484 1 4 . 1 1 94 94 SER CA C 94 59.849 59.849 55.483 4.366 19852 3485 1 4 . 1 1 94 94 SER CB C 94 62.192 62.192 64.173 -1.981 19852 3486 1 4 . 1 1 94 94 SER H H 94 7.628 7.628 7.892 -0.264 19852 3487 1 4 . 1 1 95 95 ARG N N 95 113.099 113.099 128.480 -15.381 19852 3488 1 4 . 1 1 95 95 ARG C C 95 176.273 176.273 177.798 -1.525 19852 3489 1 4 . 1 1 95 95 ARG CA C 95 53.407 53.407 59.502 -6.095 19852 3490 1 4 . 1 1 95 95 ARG CB C 95 31.154 31.154 30.022 1.132 19852 3491 1 4 . 1 1 95 95 ARG H H 95 8.102 8.102 9.067 -0.965 19852 3492 1 4 . 1 1 96 96 VAL N N 96 124.787 124.787 118.374 6.413 19852 3493 1 4 . 1 1 96 96 VAL C C 96 178.031 178.031 177.424 0.607 19852 3494 1 4 . 1 1 96 96 VAL CA C 96 68.634 68.634 66.558 2.076 19852 3495 1 4 . 1 1 96 96 VAL CB C 96 24.126 24.126 31.365 -7.239 19852 3496 1 4 . 1 1 96 96 VAL H H 96 9.146 9.146 8.102 1.044 19852 3497 1 4 . 1 1 97 97 THR N N 97 111.970 111.970 113.349 -1.379 19852 3498 1 4 . 1 1 97 97 THR C C 97 178.031 178.031 175.844 2.187 19852 3499 1 4 . 1 1 97 97 THR CA C 97 63.949 63.949 65.513 -1.564 19852 3500 1 4 . 1 1 97 97 THR CB C 97 70.390 70.390 68.967 1.423 19852 3501 1 4 . 1 1 97 97 THR H H 97 7.984 7.984 7.645 0.339 19852 3502 1 4 . 1 1 98 98 TYR N N 98 113.232 113.232 122.287 -9.055 19852 3503 1 4 . 1 1 98 98 TYR C C 98 176.273 176.273 177.636 -1.363 19852 3504 1 4 . 1 1 98 98 TYR H H 98 7.605 7.605 7.547 0.058 19852 3505 1 4 . 1 1 99 99 LYS N N 99 121.998 121.998 118.484 3.514 19852 3506 1 4 . 1 1 99 99 LYS C C 99 174.221 174.221 178.270 -4.049 19852 3507 1 4 . 1 1 99 99 LYS CA C 99 59.264 59.264 59.294 -0.030 19852 3508 1 4 . 1 1 99 99 LYS CB C 99 34.668 34.668 32.059 2.608 19852 3509 1 4 . 1 1 99 99 LYS H H 99 8.129 8.129 7.853 0.276 19852 3510 1 4 . 1 1 100 100 ASN N N 100 111.970 111.970 115.797 -3.827 19852 3511 1 4 . 1 1 100 100 ASN C C 100 175.979 175.979 176.465 -0.486 19852 3512 1 4 . 1 1 100 100 ASN CA C 100 53.407 53.407 54.680 -1.273 19852 3513 1 4 . 1 1 100 100 ASN CB C 100 37.596 37.596 38.697 -1.101 19852 3514 1 4 . 1 1 100 100 ASN H H 100 5.778 5.778 7.797 -2.019 19852 3515 1 4 . 1 1 101 101 VAL N N 101 118.877 118.877 121.875 -2.998 19852 3516 1 4 . 1 1 101 101 VAL C C 101 173.635 173.635 175.034 -1.399 19852 3517 1 4 . 1 1 101 101 VAL CA C 101 62.777 62.777 68.385 -5.608 19852 3518 1 4 . 1 1 101 101 VAL CB C 101 27.054 27.054 29.372 -2.318 19852 3519 1 4 . 1 1 101 101 VAL H H 101 7.370 7.370 7.438 -0.068 19852 3520 1 4 . 1 1 102 102 PRO C C 102 176.566 176.566 178.389 -1.823 19852 3521 1 4 . 1 1 102 102 PRO CA C 102 62.500 62.500 66.221 -3.721 19852 3522 1 4 . 1 1 102 102 PRO CB C 102 30.853 30.853 30.868 -0.015 19852 3523 1 4 . 1 1 103 103 ASN N N 103 122.728 122.728 117.061 5.667 19852 3524 1 4 . 1 1 103 103 ASN C C 103 175.100 175.100 177.428 -2.328 19852 3525 1 4 . 1 1 103 103 ASN CA C 103 54.579 54.579 55.753 -1.174 19852 3526 1 4 . 1 1 103 103 ASN CB C 103 38.767 38.767 37.594 1.173 19852 3527 1 4 . 1 1 103 103 ASN H H 103 7.879 7.879 7.614 0.265 19852 3528 1 4 . 1 1 104 104 TRP N N 104 132.158 132.158 120.967 11.191 19852 3529 1 4 . 1 1 104 104 TRP C C 104 176.273 176.273 179.147 -2.874 19852 3530 1 4 . 1 1 104 104 TRP CA C 104 60.435 60.435 60.867 -0.432 19852 3531 1 4 . 1 1 104 104 TRP CB C 104 29.983 29.983 29.313 0.670 19852 3532 1 4 . 1 1 104 104 TRP H H 104 9.541 9.541 7.828 1.713 19852 3533 1 4 . 1 1 105 105 HIS N N 105 120.869 120.869 118.724 2.145 19852 3534 1 4 . 1 1 105 105 HIS C C 105 177.738 177.738 177.622 0.116 19852 3535 1 4 . 1 1 105 105 HIS H H 105 6.971 6.971 8.644 -1.673 19852 3536 1 4 . 1 1 106 106 ARG N N 106 126.314 126.314 118.872 7.442 19852 3537 1 4 . 1 1 106 106 ARG C C 106 176.566 176.566 178.750 -2.184 19852 3538 1 4 . 1 1 106 106 ARG CA C 106 62.777 62.777 60.010 2.767 19852 3539 1 4 . 1 1 106 106 ARG CB C 106 29.397 29.397 30.037 -0.640 19852 3540 1 4 . 1 1 106 106 ARG H H 106 7.507 7.507 8.263 -0.756 19852 3541 1 4 . 1 1 107 107 ASP N N 107 119.076 119.076 120.222 -1.146 19852 3542 1 4 . 1 1 107 107 ASP C C 107 176.566 176.566 178.368 -1.802 19852 3543 1 4 . 1 1 107 107 ASP CA C 107 55.164 55.164 57.042 -1.878 19852 3544 1 4 . 1 1 107 107 ASP CB C 107 41.695 41.695 40.409 1.286 19852 3545 1 4 . 1 1 107 107 ASP H H 107 9.076 9.076 7.936 1.140 19852 3546 1 4 . 1 1 108 108 LEU N N 108 113.299 113.299 120.769 -7.470 19852 3547 1 4 . 1 1 108 108 LEU C C 108 176.273 176.273 178.302 -2.029 19852 3548 1 4 . 1 1 108 108 LEU CA C 108 59.264 59.264 57.762 1.502 19852 3549 1 4 . 1 1 108 108 LEU CB C 108 48.722 48.722 41.905 6.817 19852 3550 1 4 . 1 1 108 108 LEU H H 108 6.725 6.725 7.866 -1.141 19852 3551 1 4 . 1 1 109 109 VAL N N 109 121.267 121.267 116.130 5.137 19852 3552 1 4 . 1 1 109 109 VAL C C 109 175.393 175.393 177.743 -2.350 19852 3553 1 4 . 1 1 109 109 VAL CA C 109 63.949 63.949 64.878 -0.929 19852 3554 1 4 . 1 1 109 109 VAL CB C 109 32.911 32.911 31.107 1.804 19852 3555 1 4 . 1 1 109 109 VAL H H 109 8.763 8.763 7.923 0.840 19852 3556 1 4 . 1 1 110 110 ARG N N 110 112.900 112.900 119.426 -6.526 19852 3557 1 4 . 1 1 110 110 ARG C C 110 176.273 176.273 178.013 -1.740 19852 3558 1 4 . 1 1 110 110 ARG CA C 110 57.507 57.507 58.849 -1.342 19852 3559 1 4 . 1 1 110 110 ARG CB C 110 30.568 30.568 30.288 0.280 19852 3560 1 4 . 1 1 110 110 ARG H H 110 7.241 7.241 7.635 -0.394 19852 3561 1 4 . 1 1 111 111 VAL N N 111 115.556 115.556 116.867 -1.311 19852 3562 1 4 . 1 1 111 111 VAL C C 111 177.445 177.445 176.352 1.093 19852 3563 1 4 . 1 1 111 111 VAL CA C 111 59.849 59.849 65.639 -5.790 19852 3564 1 4 . 1 1 111 111 VAL CB C 111 32.911 32.911 32.501 0.410 19852 3565 1 4 . 1 1 111 111 VAL H H 111 7.566 7.566 7.494 0.072 19852 3566 1 4 . 1 1 112 112 CYS N N 112 114.295 114.295 119.656 -5.361 19852 3567 1 4 . 1 1 112 112 CYS C C 112 169.826 169.826 173.312 -3.486 19852 3568 1 4 . 1 1 112 112 CYS CA C 112 57.507 57.507 57.183 0.324 19852 3569 1 4 . 1 1 112 112 CYS CB C 112 35.839 35.839 28.857 6.982 19852 3570 1 4 . 1 1 112 112 CYS H H 112 7.425 7.425 8.211 -0.786 19852 3571 1 4 . 1 1 113 113 GLU N N 113 116.486 116.486 128.573 -12.087 19852 3572 1 4 . 1 1 113 113 GLU C C 113 176.566 176.566 175.452 1.114 19852 3573 1 4 . 1 1 113 113 GLU CA C 113 69.219 69.219 56.904 12.315 19852 3574 1 4 . 1 1 113 113 GLU CB C 113 30.568 30.568 30.354 0.214 19852 3575 1 4 . 1 1 113 113 GLU H H 113 7.241 7.241 8.655 -1.414 19852 3576 1 4 . 1 1 114 114 ASN N N 114 129.302 129.302 116.226 13.076 19852 3577 1 4 . 1 1 114 114 ASN C C 114 175.100 175.100 174.788 0.312 19852 3578 1 4 . 1 1 114 114 ASN CA C 114 52.236 52.236 54.080 -1.844 19852 3579 1 4 . 1 1 114 114 ASN CB C 114 39.938 39.938 37.199 2.739 19852 3580 1 4 . 1 1 114 114 ASN H H 114 8.919 8.919 8.573 0.346 19852 3581 1 4 . 1 1 115 115 ILE N N 115 110.443 110.443 115.513 -5.070 19852 3582 1 4 . 1 1 115 115 ILE C C 115 175.100 175.100 174.039 1.061 19852 3583 1 4 . 1 1 115 115 ILE CA C 115 65.705 65.705 58.160 7.545 19852 3584 1 4 . 1 1 115 115 ILE CB C 115 39.353 39.353 38.781 0.572 19852 3585 1 4 . 1 1 115 115 ILE H H 115 9.287 9.287 7.597 1.690 19852 3586 1 4 . 1 1 116 116 PRO C C 116 175.979 175.979 175.672 0.307 19852 3587 1 4 . 1 1 116 116 PRO CA C 116 63.086 63.086 63.077 0.009 19852 3588 1 4 . 1 1 116 116 PRO CB C 116 29.681 29.681 32.554 -2.873 19852 3589 1 4 . 1 1 117 117 ILE N N 117 123.591 123.591 123.294 0.297 19852 3590 1 4 . 1 1 117 117 ILE C C 117 174.807 174.807 175.159 -0.352 19852 3591 1 4 . 1 1 117 117 ILE CA C 117 66.291 66.291 60.287 6.004 19852 3592 1 4 . 1 1 117 117 ILE CB C 117 38.767 38.767 42.383 -3.616 19852 3593 1 4 . 1 1 117 117 ILE H H 117 7.781 7.781 8.572 -0.791 19852 3594 1 4 . 1 1 118 118 VAL N N 118 119.009 119.009 125.603 -6.594 19852 3595 1 4 . 1 1 118 118 VAL C C 118 178.324 178.324 174.688 3.636 19852 3596 1 4 . 1 1 118 118 VAL CA C 118 62.777 62.777 60.960 1.817 19852 3597 1 4 . 1 1 118 118 VAL CB C 118 31.154 31.154 34.072 -2.918 19852 3598 1 4 . 1 1 118 118 VAL H H 118 8.767 8.767 8.771 -0.004 19852 3599 1 4 . 1 1 119 119 LEU N N 119 119.408 119.408 126.552 -7.144 19852 3600 1 4 . 1 1 119 119 LEU C C 119 178.031 178.031 176.260 1.771 19852 3601 1 4 . 1 1 119 119 LEU CA C 119 42.866 42.866 53.487 -10.621 19852 3602 1 4 . 1 1 119 119 LEU CB C 119 38.767 38.767 43.796 -5.029 19852 3603 1 4 . 1 1 119 119 LEU H H 119 7.734 7.734 9.203 -1.469 19852 3604 1 4 . 1 1 120 120 CYS N N 120 113.232 113.232 121.703 -8.471 19852 3605 1 4 . 1 1 120 120 CYS C C 120 178.031 178.031 174.198 3.833 19852 3606 1 4 . 1 1 120 120 CYS H H 120 8.317 8.317 9.134 -0.817 19852 3607 1 4 . 1 1 121 121 GLY N N 121 117.349 117.349 112.489 4.860 19852 3608 1 4 . 1 1 121 121 GLY C C 121 176.851 176.851 172.758 4.093 19852 3609 1 4 . 1 1 121 121 GLY CA C 121 41.109 41.109 43.296 -2.187 19852 3610 1 4 . 1 1 121 121 GLY H H 121 7.515 7.515 8.631 -1.116 19852 3611 1 4 . 1 1 122 122 ASN N N 122 125.318 125.318 123.848 1.470 19852 3612 1 4 . 1 1 122 122 ASN C C 122 175.686 175.686 175.559 0.127 19852 3613 1 4 . 1 1 122 122 ASN CA C 122 50.479 50.479 50.523 -0.044 19852 3614 1 4 . 1 1 122 122 ASN CB C 122 39.353 39.353 41.372 -2.019 19852 3615 1 4 . 1 1 122 122 ASN H H 122 9.162 9.162 8.749 0.413 19852 3616 1 4 . 1 1 123 123 LYS N N 123 124.920 124.920 114.956 9.964 19852 3617 1 4 . 1 1 123 123 LYS C C 123 176.566 176.566 177.580 -1.014 19852 3618 1 4 . 1 1 123 123 LYS CA C 123 70.976 70.976 57.684 13.291 19852 3619 1 4 . 1 1 123 123 LYS CB C 123 35.253 35.253 30.015 5.239 19852 3620 1 4 . 1 1 123 123 LYS H H 123 8.086 8.086 8.532 -0.446 19852 3621 1 4 . 1 1 124 124 VAL N N 124 125.517 125.517 112.814 12.703 19852 3622 1 4 . 1 1 124 124 VAL C C 124 177.738 177.738 176.060 1.678 19852 3623 1 4 . 1 1 124 124 VAL CA C 124 62.777 62.777 63.947 -1.170 19852 3624 1 4 . 1 1 124 124 VAL CB C 124 33.496 33.496 31.383 2.113 19852 3625 1 4 . 1 1 124 124 VAL H H 124 9.483 9.483 7.680 1.803 19852 3626 1 4 . 1 1 125 125 ASP N N 125 119.607 119.607 119.385 0.222 19852 3627 1 4 . 1 1 125 125 ASP C C 125 176.566 176.566 177.052 -0.486 19852 3628 1 4 . 1 1 125 125 ASP CA C 125 55.750 55.750 56.443 -0.693 19852 3629 1 4 . 1 1 125 125 ASP CB C 125 40.524 40.524 40.810 -0.286 19852 3630 1 4 . 1 1 125 125 ASP H H 125 7.875 7.875 7.726 0.149 19852 3631 1 4 . 1 1 126 126 ILE N N 126 116.088 116.088 120.702 -4.614 19852 3632 1 4 . 1 1 126 126 ILE C C 126 177.152 177.152 176.593 0.559 19852 3633 1 4 . 1 1 126 126 ILE CA C 126 66.291 66.291 61.831 4.460 19852 3634 1 4 . 1 1 126 126 ILE CB C 126 39.353 39.353 38.270 1.083 19852 3635 1 4 . 1 1 126 126 ILE H H 126 7.511 7.511 7.475 0.036 19852 3636 1 4 . 1 1 127 127 LYS N N 127 117.681 117.681 124.371 -6.690 19852 3637 1 4 . 1 1 127 127 LYS C C 127 177.152 177.152 177.043 0.109 19852 3638 1 4 . 1 1 127 127 LYS CA C 127 57.507 57.507 58.446 -0.939 19852 3639 1 4 . 1 1 127 127 LYS CB C 127 31.154 31.154 32.676 -1.522 19852 3640 1 4 . 1 1 127 127 LYS H H 127 8.059 8.059 8.400 -0.341 19852 3641 1 4 . 1 1 128 128 ASP N N 128 118.279 118.279 119.465 -1.186 19852 3642 1 4 . 1 1 128 128 ASP C C 128 176.566 176.566 175.064 1.502 19852 3643 1 4 . 1 1 128 128 ASP CA C 128 53.407 53.407 53.078 0.329 19852 3644 1 4 . 1 1 128 128 ASP CB C 128 40.524 40.524 40.246 0.278 19852 3645 1 4 . 1 1 128 128 ASP H H 128 7.241 7.241 8.059 -0.818 19852 3646 1 4 . 1 1 129 129 ARG N N 129 118.943 118.943 126.719 -7.776 19852 3647 1 4 . 1 1 129 129 ARG C C 129 177.738 177.738 176.246 1.492 19852 3648 1 4 . 1 1 129 129 ARG CA C 129 45.794 45.794 55.897 -10.103 19852 3649 1 4 . 1 1 129 129 ARG CB C 129 31.154 31.154 30.467 0.687 19852 3650 1 4 . 1 1 129 129 ARG H H 129 8.423 8.423 8.031 0.392 19852 3651 1 4 . 1 1 130 130 LYS N N 130 109.381 109.381 124.493 -15.112 19852 3652 1 4 . 1 1 130 130 LYS C C 130 176.566 176.566 176.736 -0.170 19852 3653 1 4 . 1 1 130 130 LYS CA C 130 55.164 55.164 57.218 -2.054 19852 3654 1 4 . 1 1 130 130 LYS CB C 130 36.424 36.424 33.093 3.331 19852 3655 1 4 . 1 1 130 130 LYS H H 130 7.296 7.296 8.244 -0.948 19852 3656 1 4 . 1 1 131 131 VAL N N 131 110.377 110.377 120.349 -9.972 19852 3657 1 4 . 1 1 131 131 VAL C C 131 178.617 178.617 174.813 3.804 19852 3658 1 4 . 1 1 131 131 VAL CA C 131 65.705 65.705 62.066 3.639 19852 3659 1 4 . 1 1 131 131 VAL CB C 131 35.839 35.839 31.336 4.503 19852 3660 1 4 . 1 1 131 131 VAL H H 131 9.283 9.283 8.200 1.083 19852 3661 1 4 . 1 1 132 132 LYS N N 132 110.310 110.310 126.968 -16.658 19852 3662 1 4 . 1 1 132 132 LYS C C 132 176.273 176.273 178.067 -1.794 19852 3663 1 4 . 1 1 132 132 LYS CA C 132 59.849 59.849 54.423 5.426 19852 3664 1 4 . 1 1 132 132 LYS CB C 132 35.253 35.253 34.355 0.897 19852 3665 1 4 . 1 1 132 132 LYS H H 132 9.709 9.709 7.693 2.016 19852 3666 1 4 . 1 1 133 133 ALA N N 133 134.349 134.349 124.492 9.857 19852 3667 1 4 . 1 1 133 133 ALA CA C 133 51.065 51.065 55.382 -4.317 19852 3668 1 4 . 1 1 133 133 ALA CB C 133 12.999 12.999 18.109 -5.110 19852 3669 1 4 . 1 1 133 133 ALA H H 133 6.322 6.322 8.792 -2.470 19852 3670 1 4 . 1 1 134 134 LYS N N 134 117.615 117.615 117.696 -0.081 19852 3671 1 4 . 1 1 134 134 LYS C C 134 176.859 176.859 178.903 -2.044 19852 3672 1 4 . 1 1 134 134 LYS CA C 134 55.750 55.750 59.336 -3.586 19852 3673 1 4 . 1 1 134 134 LYS CB C 134 54.579 54.579 32.213 22.366 19852 3674 1 4 . 1 1 134 134 LYS H H 134 6.549 6.549 8.592 -2.043 19852 3675 1 4 . 1 1 135 135 SER N N 135 109.314 109.314 111.722 -2.408 19852 3676 1 4 . 1 1 135 135 SER C C 135 173.635 173.635 174.223 -0.588 19852 3677 1 4 . 1 1 135 135 SER CA C 135 56.336 56.336 57.479 -1.143 19852 3678 1 4 . 1 1 135 135 SER CB C 135 63.949 63.949 63.841 0.108 19852 3679 1 4 . 1 1 135 135 SER H H 135 7.840 7.840 7.746 0.094 19852 3680 1 4 . 1 1 136 136 ILE N N 136 124.123 124.123 124.910 -0.787 19852 3681 1 4 . 1 1 136 136 ILE C C 136 175.100 175.100 175.064 0.036 19852 3682 1 4 . 1 1 136 136 ILE CA C 136 68.634 68.634 61.386 7.248 19852 3683 1 4 . 1 1 136 136 ILE CB C 136 43.452 43.452 36.116 7.336 19852 3684 1 4 . 1 1 136 136 ILE H H 136 8.098 8.098 7.344 0.754 19852 3685 1 4 . 1 1 137 137 VAL N N 137 113.232 113.232 125.589 -12.357 19852 3686 1 4 . 1 1 137 137 VAL C C 137 176.859 176.859 177.812 -0.953 19852 3687 1 4 . 1 1 137 137 VAL CA C 137 64.534 64.534 66.206 -1.672 19852 3688 1 4 . 1 1 137 137 VAL CB C 137 34.082 34.082 31.760 2.322 19852 3689 1 4 . 1 1 137 137 VAL H H 137 7.711 7.711 8.229 -0.518 19852 3690 1 4 . 1 1 138 138 PHE N N 138 118.279 118.279 120.566 -2.287 19852 3691 1 4 . 1 1 138 138 PHE C C 138 175.393 175.393 176.835 -1.442 19852 3692 1 4 . 1 1 138 138 PHE CA C 138 58.092 58.092 61.737 -3.645 19852 3693 1 4 . 1 1 138 138 PHE CB C 138 39.353 39.353 38.907 0.446 19852 3694 1 4 . 1 1 138 138 PHE H H 138 8.317 8.317 8.420 -0.103 19852 3695 1 4 . 1 1 139 139 HIS N N 139 107.654 107.654 116.270 -8.616 19852 3696 1 4 . 1 1 139 139 HIS C C 139 175.979 175.979 177.394 -1.415 19852 3697 1 4 . 1 1 139 139 HIS CA C 139 53.993 53.993 59.953 -5.960 19852 3698 1 4 . 1 1 139 139 HIS CB C 139 28.811 28.811 29.607 -0.796 19852 3699 1 4 . 1 1 139 139 HIS H H 139 8.016 8.016 7.859 0.157 19852 3700 1 4 . 1 1 140 140 ARG N N 140 117.084 117.084 119.467 -2.383 19852 3701 1 4 . 1 1 140 140 ARG C C 140 176.859 176.859 178.728 -1.869 19852 3702 1 4 . 1 1 140 140 ARG CA C 140 57.507 57.507 59.434 -1.927 19852 3703 1 4 . 1 1 140 140 ARG CB C 140 31.739 31.739 29.640 2.099 19852 3704 1 4 . 1 1 140 140 ARG H H 140 8.763 8.763 7.948 0.815 19852 3705 1 4 . 1 1 141 141 LYS N N 141 115.623 115.623 120.138 -4.515 19852 3706 1 4 . 1 1 141 141 LYS C C 141 173.635 173.635 178.008 -4.373 19852 3707 1 4 . 1 1 141 141 LYS CA C 141 58.092 58.092 58.660 -0.568 19852 3708 1 4 . 1 1 141 141 LYS CB C 141 33.496 33.496 32.088 1.408 19852 3709 1 4 . 1 1 141 141 LYS H H 141 7.449 7.449 7.838 -0.389 19852 3710 1 4 . 1 1 142 142 LYS N N 142 114.162 114.162 114.891 -0.729 19852 3711 1 4 . 1 1 142 142 LYS C C 142 175.979 175.979 175.817 0.162 19852 3712 1 4 . 1 1 142 142 LYS CA C 142 51.065 51.065 54.561 -3.496 19852 3713 1 4 . 1 1 142 142 LYS CB C 142 34.668 34.668 32.010 2.658 19852 3714 1 4 . 1 1 142 142 LYS H H 142 8.982 8.982 7.124 1.858 19852 3715 1 4 . 1 1 143 143 ASN N N 143 112.103 112.103 115.376 -3.273 19852 3716 1 4 . 1 1 143 143 ASN C C 143 175.100 175.100 174.011 1.089 19852 3717 1 4 . 1 1 143 143 ASN CA C 143 53.407 53.407 54.095 -0.688 19852 3718 1 4 . 1 1 143 143 ASN CB C 143 39.938 39.938 36.579 3.359 19852 3719 1 4 . 1 1 143 143 ASN H H 143 7.402 7.402 7.752 -0.350 19852 3720 1 4 . 1 1 144 144 LEU N N 144 118.810 118.810 117.713 1.097 19852 3721 1 4 . 1 1 144 144 LEU CA C 144 53.993 53.993 53.815 0.178 19852 3722 1 4 . 1 1 144 144 LEU CB C 144 42.866 42.866 43.509 -0.643 19852 3723 1 4 . 1 1 144 144 LEU H H 144 7.793 7.793 7.936 -0.143 19852 3724 1 4 . 1 1 145 145 GLN N N 145 119.607 119.607 118.345 1.262 19852 3725 1 4 . 1 1 145 145 GLN C C 145 176.859 176.859 174.105 2.754 19852 3726 1 4 . 1 1 145 145 GLN CA C 145 55.164 55.164 53.457 1.707 19852 3727 1 4 . 1 1 145 145 GLN CB C 145 29.983 29.983 30.405 -0.422 19852 3728 1 4 . 1 1 145 145 GLN H H 145 7.014 7.014 7.733 -0.719 19852 3729 1 4 . 1 1 146 146 TYR N N 146 119.275 119.275 123.782 -4.507 19852 3730 1 4 . 1 1 146 146 TYR C C 146 174.807 174.807 174.110 0.697 19852 3731 1 4 . 1 1 146 146 TYR CA C 146 62.777 62.777 55.229 7.548 19852 3732 1 4 . 1 1 146 146 TYR CB C 146 41.109 41.109 40.515 0.594 19852 3733 1 4 . 1 1 146 146 TYR H H 146 9.350 9.350 8.083 1.267 19852 3734 1 4 . 1 1 147 147 TYR N N 147 123.658 123.658 124.674 -1.016 19852 3735 1 4 . 1 1 147 147 TYR C C 147 177.738 177.738 173.302 4.436 19852 3736 1 4 . 1 1 147 147 TYR CA C 147 58.092 58.092 55.927 2.165 19852 3737 1 4 . 1 1 147 147 TYR CB C 147 39.938 39.938 42.213 -2.275 19852 3738 1 4 . 1 1 147 147 TYR H H 147 8.340 8.340 8.007 0.333 19852 3739 1 4 . 1 1 148 148 ASP N N 148 121.267 121.267 122.974 -1.707 19852 3740 1 4 . 1 1 148 148 ASP C C 148 176.859 176.859 175.516 1.343 19852 3741 1 4 . 1 1 148 148 ASP CA C 148 54.579 54.579 54.334 0.244 19852 3742 1 4 . 1 1 148 148 ASP CB C 148 41.109 41.109 41.660 -0.550 19852 3743 1 4 . 1 1 148 148 ASP H H 148 8.911 8.911 8.212 0.699 19852 3744 1 4 . 1 1 149 149 ILE N N 149 119.607 119.607 116.251 3.356 19852 3745 1 4 . 1 1 149 149 ILE C C 149 174.807 174.807 174.620 0.187 19852 3746 1 4 . 1 1 149 149 ILE CA C 149 61.020 61.020 59.360 1.660 19852 3747 1 4 . 1 1 149 149 ILE CB C 149 39.353 39.353 42.399 -3.046 19852 3748 1 4 . 1 1 149 149 ILE H H 149 8.712 8.712 8.528 0.184 19852 3749 1 4 . 1 1 150 150 SER N N 150 117.349 117.349 118.327 -0.978 19852 3750 1 4 . 1 1 150 150 SER C C 150 175.686 175.686 174.259 1.427 19852 3751 1 4 . 1 1 150 150 SER CA C 150 60.435 60.435 56.564 3.871 19852 3752 1 4 . 1 1 150 150 SER CB C 150 62.192 62.192 66.064 -3.872 19852 3753 1 4 . 1 1 150 150 SER H H 150 8.454 8.454 8.614 -0.160 19852 3754 1 4 . 1 1 151 151 ALA N N 151 131.162 131.162 129.115 2.047 19852 3755 1 4 . 1 1 151 151 ALA C C 151 160.742 160.742 179.272 -18.530 19852 3756 1 4 . 1 1 151 151 ALA CA C 151 53.993 53.993 55.230 -1.237 19852 3757 1 4 . 1 1 151 151 ALA CB C 151 22.369 22.369 18.722 3.647 19852 3758 1 4 . 1 1 151 151 ALA H H 151 10.640 10.640 8.893 1.747 19852 3759 1 4 . 1 1 152 152 LYS N N 152 121.400 121.400 118.975 2.425 19852 3760 1 4 . 1 1 152 152 LYS C C 152 174.221 174.221 177.770 -3.549 19852 3761 1 4 . 1 1 152 152 LYS CA C 152 59.849 59.849 59.370 0.479 19852 3762 1 4 . 1 1 152 152 LYS CB C 152 34.668 34.668 32.169 2.499 19852 3763 1 4 . 1 1 152 152 LYS H H 152 9.099 9.099 8.579 0.520 19852 3764 1 4 . 1 1 153 153 SER N N 153 115.212 115.212 110.631 4.581 19852 3765 1 4 . 1 1 153 153 SER C C 153 177.152 177.152 174.116 3.036 19852 3766 1 4 . 1 1 153 153 SER CA C 153 62.192 62.192 57.605 4.587 19852 3767 1 4 . 1 1 153 153 SER CB C 153 66.291 66.291 63.796 2.495 19852 3768 1 4 . 1 1 153 153 SER H H 153 8.935 8.935 7.986 0.949 19852 3769 1 4 . 1 1 154 154 ASN N N 154 119.341 119.341 116.785 2.556 19852 3770 1 4 . 1 1 154 154 ASN C C 154 175.979 175.979 174.168 1.811 19852 3771 1 4 . 1 1 154 154 ASN CA C 154 49.894 49.894 54.708 -4.814 19852 3772 1 4 . 1 1 154 154 ASN CB C 154 39.353 39.353 36.681 2.672 19852 3773 1 4 . 1 1 154 154 ASN H H 154 7.488 7.488 7.804 -0.316 19852 3774 1 4 . 1 1 155 155 TYR N N 155 113.498 113.498 123.382 -9.884 19852 3775 1 4 . 1 1 155 155 TYR C C 155 173.928 173.928 175.257 -1.329 19852 3776 1 4 . 1 1 155 155 TYR CA C 155 56.336 56.336 59.742 -3.406 19852 3777 1 4 . 1 1 155 155 TYR CB C 155 37.596 37.596 38.968 -1.371 19852 3778 1 4 . 1 1 155 155 TYR H H 155 6.486 6.486 8.245 -1.759 19852 3779 1 4 . 1 1 156 156 ASN N N 156 122.396 122.396 122.747 -0.351 19852 3780 1 4 . 1 1 156 156 ASN C C 156 175.979 175.979 175.094 0.885 19852 3781 1 4 . 1 1 156 156 ASN CA C 156 51.651 51.651 54.253 -2.602 19852 3782 1 4 . 1 1 156 156 ASN CB C 156 38.767 38.767 36.241 2.526 19852 3783 1 4 . 1 1 156 156 ASN H H 156 8.352 8.352 8.802 -0.450 19852 3784 1 4 . 1 1 157 157 PHE N N 157 123.459 123.459 119.501 3.958 19852 3785 1 4 . 1 1 157 157 PHE C C 157 174.221 174.221 176.773 -2.552 19852 3786 1 4 . 1 1 157 157 PHE CA C 157 57.507 57.507 61.310 -3.803 19852 3787 1 4 . 1 1 157 157 PHE CB C 157 39.353 39.353 39.516 -0.162 19852 3788 1 4 . 1 1 157 157 PHE H H 157 7.429 7.429 7.620 -0.191 19852 3789 1 4 . 1 1 158 158 GLU N N 158 112.568 112.568 118.126 -5.558 19852 3790 1 4 . 1 1 158 158 GLU C C 158 176.566 176.566 178.631 -2.065 19852 3791 1 4 . 1 1 158 158 GLU CA C 158 72.147 72.147 59.437 12.710 19852 3792 1 4 . 1 1 158 158 GLU CB C 158 27.640 27.640 29.197 -1.557 19852 3793 1 4 . 1 1 158 158 GLU H H 158 7.495 7.495 8.945 -1.450 19852 3794 1 4 . 1 1 159 159 LYS N N 159 113.232 113.232 118.628 -5.396 19852 3795 1 4 . 1 1 159 159 LYS C C 159 176.566 176.566 175.889 0.677 19852 3796 1 4 . 1 1 159 159 LYS CA C 159 53.993 53.993 60.868 -6.875 19852 3797 1 4 . 1 1 159 159 LYS CB C 159 33.496 33.496 29.936 3.560 19852 3798 1 4 . 1 1 159 159 LYS H H 159 6.862 6.862 7.361 -0.499 19852 3799 1 4 . 1 1 160 160 PRO C C 160 176.273 176.273 178.493 -2.220 19852 3800 1 4 . 1 1 160 160 PRO CA C 160 64.258 64.258 65.603 -1.345 19852 3801 1 4 . 1 1 160 160 PRO CB C 160 32.318 32.318 31.055 1.262 19852 3802 1 4 . 1 1 161 161 PHE N N 161 120.271 120.271 115.644 4.627 19852 3803 1 4 . 1 1 161 161 PHE C C 161 175.100 175.100 177.614 -2.514 19852 3804 1 4 . 1 1 161 161 PHE CA C 161 56.336 56.336 61.752 -5.416 19852 3805 1 4 . 1 1 161 161 PHE CB C 161 39.353 39.353 37.625 1.728 19852 3806 1 4 . 1 1 161 161 PHE H H 161 8.074 8.074 7.100 0.974 19852 3807 1 4 . 1 1 162 162 LEU N N 162 110.177 110.177 120.359 -10.182 19852 3808 1 4 . 1 1 162 162 LEU C C 162 176.273 176.273 177.992 -1.719 19852 3809 1 4 . 1 1 162 162 LEU CA C 162 55.750 55.750 58.184 -2.434 19852 3810 1 4 . 1 1 162 162 LEU CB C 162 44.037 44.037 41.123 2.914 19852 3811 1 4 . 1 1 162 162 LEU H H 162 7.527 7.527 7.904 -0.377 19852 3812 1 4 . 1 1 163 163 TRP N N 163 123.525 123.525 120.745 2.780 19852 3813 1 4 . 1 1 163 163 TRP C C 163 177.152 177.152 178.099 -0.947 19852 3814 1 4 . 1 1 163 163 TRP CA C 163 61.606 61.606 62.420 -0.814 19852 3815 1 4 . 1 1 163 163 TRP CB C 163 28.811 28.811 29.582 -0.771 19852 3816 1 4 . 1 1 163 163 TRP H H 163 7.476 7.476 7.907 -0.431 19852 3817 1 4 . 1 1 164 164 LEU N N 164 119.740 119.740 119.117 0.623 19852 3818 1 4 . 1 1 164 164 LEU C C 164 175.686 175.686 178.927 -3.241 19852 3819 1 4 . 1 1 164 164 LEU CA C 164 61.020 61.020 57.831 3.189 19852 3820 1 4 . 1 1 164 164 LEU CB C 164 45.794 45.794 41.352 4.442 19852 3821 1 4 . 1 1 164 164 LEU H H 164 9.412 9.412 8.057 1.355 19852 3822 1 4 . 1 1 165 165 ALA N N 165 118.013 118.013 121.622 -3.609 19852 3823 1 4 . 1 1 165 165 ALA C C 165 165.723 165.723 179.595 -13.872 19852 3824 1 4 . 1 1 165 165 ALA CA C 165 52.236 52.236 55.366 -3.130 19852 3825 1 4 . 1 1 165 165 ALA CB C 165 21.784 21.784 18.270 3.514 19852 3826 1 4 . 1 1 165 165 ALA H H 165 7.707 7.707 8.531 -0.824 19852 3827 1 4 . 1 1 166 166 ARG N N 166 122.994 122.994 118.301 4.693 19852 3828 1 4 . 1 1 166 166 ARG C C 166 175.979 175.979 178.848 -2.869 19852 3829 1 4 . 1 1 166 166 ARG CA C 166 49.308 49.308 59.089 -9.781 19852 3830 1 4 . 1 1 166 166 ARG CB C 166 29.397 29.397 30.117 -0.720 19852 3831 1 4 . 1 1 166 166 ARG H H 166 8.692 8.692 8.096 0.596 19852 3832 1 4 . 1 1 167 167 LYS N N 167 112.568 112.568 120.048 -7.480 19852 3833 1 4 . 1 1 167 167 LYS C C 167 176.273 176.273 179.167 -2.894 19852 3834 1 4 . 1 1 167 167 LYS CA C 167 58.092 58.092 58.338 -0.246 19852 3835 1 4 . 1 1 167 167 LYS CB C 167 34.668 34.668 31.386 3.282 19852 3836 1 4 . 1 1 167 167 LYS H H 167 6.819 6.819 7.382 -0.563 19852 3837 1 4 . 1 1 168 168 LEU N N 168 114.959 114.959 120.067 -5.108 19852 3838 1 4 . 1 1 168 168 LEU C C 168 177.738 177.738 178.833 -1.095 19852 3839 1 4 . 1 1 168 168 LEU CA C 168 56.921 56.921 57.514 -0.593 19852 3840 1 4 . 1 1 168 168 LEU CB C 168 41.695 41.695 41.486 0.209 19852 3841 1 4 . 1 1 168 168 LEU H H 168 7.269 7.269 7.871 -0.602 19852 3842 1 4 . 1 1 169 169 ILE N N 169 124.986 124.986 116.013 8.973 19852 3843 1 4 . 1 1 169 169 ILE C C 169 171.877 171.877 177.681 -5.804 19852 3844 1 4 . 1 1 169 169 ILE CA C 169 68.048 68.048 61.898 6.150 19852 3845 1 4 . 1 1 169 169 ILE CB C 169 39.353 39.353 37.966 1.387 19852 3846 1 4 . 1 1 169 169 ILE H H 169 8.915 8.915 8.129 0.786 19852 3847 1 4 . 1 1 170 170 GLY N N 170 113.099 113.099 107.247 5.852 19852 3848 1 4 . 1 1 170 170 GLY C C 170 162.496 162.496 173.881 -11.385 19852 3849 1 4 . 1 1 170 170 GLY CA C 170 44.037 44.037 45.003 -0.966 19852 3850 1 4 . 1 1 170 170 GLY H H 170 6.686 6.686 8.029 -1.343 19852 3851 1 4 . 1 1 171 171 ASP N N 171 113.232 113.232 121.447 -8.215 19852 3852 1 4 . 1 1 171 171 ASP C C 171 178.910 178.910 175.838 3.072 19852 3853 1 4 . 1 1 171 171 ASP CA C 171 50.479 50.479 50.669 -0.190 19852 3854 1 4 . 1 1 171 171 ASP CB C 171 41.109 41.109 42.401 -1.292 19852 3855 1 4 . 1 1 171 171 ASP H H 171 6.815 6.815 7.549 -0.734 19852 3856 1 4 . 1 1 172 172 PRO C C 172 176.566 176.566 176.964 -0.398 19852 3857 1 4 . 1 1 172 172 PRO CA C 172 63.965 63.965 64.095 -0.130 19852 3858 1 4 . 1 1 172 172 PRO CB C 172 31.732 31.732 32.178 -0.446 19852 3859 1 4 . 1 1 173 173 ASN N N 173 109.779 109.779 116.037 -6.258 19852 3860 1 4 . 1 1 173 173 ASN C C 173 175.979 175.979 175.614 0.365 19852 3861 1 4 . 1 1 173 173 ASN CA C 173 54.579 54.579 52.954 1.625 19852 3862 1 4 . 1 1 173 173 ASN CB C 173 36.424 36.424 39.388 -2.964 19852 3863 1 4 . 1 1 173 173 ASN H H 173 8.016 8.016 8.475 -0.459 19852 3864 1 4 . 1 1 174 174 LEU N N 174 109.248 109.248 121.685 -12.437 19852 3865 1 4 . 1 1 174 174 LEU C C 174 176.566 176.566 175.625 0.941 19852 3866 1 4 . 1 1 174 174 LEU CA C 174 56.336 56.336 56.173 0.162 19852 3867 1 4 . 1 1 174 174 LEU CB C 174 44.037 44.037 42.279 1.758 19852 3868 1 4 . 1 1 174 174 LEU H H 174 7.871 7.871 7.286 0.585 19852 3869 1 4 . 1 1 175 175 GLU N N 175 125.185 125.185 122.697 2.488 19852 3870 1 4 . 1 1 175 175 GLU C C 175 177.445 177.445 175.414 2.031 19852 3871 1 4 . 1 1 175 175 GLU CA C 175 76.247 76.247 54.278 21.970 19852 3872 1 4 . 1 1 175 175 GLU CB C 175 28.811 28.811 34.002 -5.191 19852 3873 1 4 . 1 1 175 175 GLU H H 175 9.127 9.127 8.581 0.546 19852 3874 1 4 . 1 1 176 176 PHE N N 176 136.873 136.873 121.424 15.449 19852 3875 1 4 . 1 1 176 176 PHE C C 176 178.617 178.617 176.702 1.915 19852 3876 1 4 . 1 1 176 176 PHE CA C 176 59.264 59.264 55.657 3.607 19852 3877 1 4 . 1 1 176 176 PHE CB C 176 44.623 44.623 38.823 5.800 19852 3878 1 4 . 1 1 176 176 PHE H H 176 10.058 10.058 8.781 1.277 19852 3879 1 4 . 1 1 177 177 VAL N N 177 118.877 118.877 127.352 -8.475 19852 3880 1 4 . 1 1 177 177 VAL C C 177 177.445 177.445 176.572 0.873 19852 3881 1 4 . 1 1 177 177 VAL CA C 177 62.777 62.777 64.969 -2.192 19852 3882 1 4 . 1 1 177 177 VAL CB C 177 34.668 34.668 32.336 2.332 19852 3883 1 4 . 1 1 177 177 VAL H H 177 7.789 7.789 8.877 -1.088 19852 3884 1 4 . 1 1 178 178 ALA N N 178 128.904 128.904 119.699 9.205 19852 3885 1 4 . 1 1 178 178 ALA CA C 178 57.507 57.507 51.289 6.218 19852 3886 1 4 . 1 1 178 178 ALA CB C 178 19.441 19.441 21.542 -2.101 19852 3887 1 4 . 1 1 178 178 ALA H H 178 7.566 7.566 7.552 0.014 19852 3888 1 4 . 1 1 179 179 MET N N 179 120.736 120.736 121.778 -1.042 19852 3889 1 4 . 1 1 179 179 MET C C 179 176.859 176.859 174.528 2.331 19852 3890 1 4 . 1 1 179 179 MET CA C 179 56.336 56.336 52.622 3.714 19852 3891 1 4 . 1 1 179 179 MET CB C 179 34.668 34.668 33.532 1.136 19852 3892 1 4 . 1 1 179 179 MET H H 179 7.930 7.930 8.482 -0.552 19852 3893 1 4 . 1 1 180 180 PRO C C 180 177.445 177.445 175.684 1.761 19852 3894 1 4 . 1 1 180 180 PRO CA C 180 64.844 64.844 62.536 2.308 19852 3895 1 4 . 1 1 180 180 PRO CB C 180 29.974 29.974 31.963 -1.989 19852 3896 1 4 . 1 1 181 181 ALA N N 181 128.439 128.439 123.477 4.962 19852 3897 1 4 . 1 1 181 181 ALA C C 181 176.273 176.273 175.973 0.300 19852 3898 1 4 . 1 1 181 181 ALA CA C 181 58.092 58.092 52.579 5.513 19852 3899 1 4 . 1 1 181 181 ALA CB C 181 21.198 21.198 19.088 2.110 19852 3900 1 4 . 1 1 181 181 ALA H H 181 8.673 8.673 8.182 0.491 19852 3901 1 4 . 1 1 182 182 LEU N N 182 122.130 122.130 123.280 -1.150 19852 3902 1 4 . 1 1 182 182 LEU C C 182 177.445 177.445 176.878 0.567 19852 3903 1 4 . 1 1 182 182 LEU CA C 182 55.164 55.164 52.416 2.748 19852 3904 1 4 . 1 1 182 182 LEU CB C 182 42.866 42.866 45.438 -2.572 19852 3905 1 4 . 1 1 182 182 LEU H H 182 8.821 8.821 8.068 0.753 19852 3906 1 4 . 1 1 183 183 ALA N N 183 108.783 108.783 125.137 -16.354 19852 3907 1 4 . 1 1 183 183 ALA C C 183 160.742 160.742 175.547 -14.805 19852 3908 1 4 . 1 1 183 183 ALA CA C 183 51.651 51.651 50.743 0.908 19852 3909 1 4 . 1 1 183 183 ALA CB C 183 18.856 18.856 17.958 0.898 19852 3910 1 4 . 1 1 183 183 ALA H H 183 7.621 7.621 8.323 -0.702 19852 3911 1 4 . 1 1 184 184 PRO C C 184 177.152 177.152 174.930 2.222 19852 3912 1 4 . 1 1 184 184 PRO CA C 184 64.258 64.258 62.142 2.116 19852 3913 1 4 . 1 1 184 184 PRO CB C 184 29.681 29.681 31.544 -1.863 19852 3914 1 4 . 1 1 185 185 PRO C C 185 175.686 175.686 177.118 -1.432 19852 3915 1 4 . 1 1 185 185 PRO CA C 185 63.379 63.379 63.264 0.115 19852 3916 1 4 . 1 1 185 185 PRO CB C 185 35.248 35.248 32.158 3.090 19852 3917 1 4 . 1 1 186 186 GLU N N 186 104.931 104.931 124.814 -19.883 19852 3918 1 4 . 1 1 186 186 GLU C C 186 174.221 174.221 176.778 -2.557 19852 3919 1 4 . 1 1 186 186 GLU CA C 186 57.507 57.507 58.562 -1.056 19852 3920 1 4 . 1 1 186 186 GLU CB C 186 31.739 31.739 30.239 1.500 19852 3921 1 4 . 1 1 186 186 GLU H H 186 8.673 8.673 8.802 -0.129 19852 3922 1 4 . 1 1 187 187 VAL N N 187 124.455 124.455 112.568 11.887 19852 3923 1 4 . 1 1 187 187 VAL C C 187 178.910 178.910 174.140 4.770 19852 3924 1 4 . 1 1 187 187 VAL CA C 187 63.363 63.363 60.568 2.795 19852 3925 1 4 . 1 1 187 187 VAL CB C 187 34.082 34.082 34.666 -0.584 19852 3926 1 4 . 1 1 187 187 VAL H H 187 8.622 8.622 7.504 1.118 19852 3927 1 4 . 1 1 188 188 VAL N N 188 128.572 128.572 121.661 6.911 19852 3928 1 4 . 1 1 188 188 VAL C C 188 178.324 178.324 175.443 2.881 19852 3929 1 4 . 1 1 188 188 VAL CA C 188 68.634 68.634 61.800 6.834 19852 3930 1 4 . 1 1 188 188 VAL CB C 188 31.154 31.154 33.077 -1.923 19852 3931 1 4 . 1 1 188 188 VAL H H 188 8.497 8.497 8.202 0.295 19852 3932 1 4 . 1 1 189 189 MET N N 189 122.795 122.795 126.835 -4.040 19852 3933 1 4 . 1 1 189 189 MET C C 189 177.445 177.445 175.272 2.173 19852 3934 1 4 . 1 1 189 189 MET CA C 189 55.164 55.164 54.864 0.300 19852 3935 1 4 . 1 1 189 189 MET CB C 189 35.253 35.253 33.575 1.678 19852 3936 1 4 . 1 1 189 189 MET H H 189 6.991 6.991 8.437 -1.446 19852 3937 1 4 . 1 1 190 190 ASP N N 190 114.959 114.959 128.187 -13.228 19852 3938 1 4 . 1 1 190 190 ASP C C 190 175.686 175.686 176.474 -0.788 19852 3939 1 4 . 1 1 190 190 ASP CA C 190 51.065 51.065 52.053 -0.988 19852 3940 1 4 . 1 1 190 190 ASP CB C 190 41.695 41.695 42.106 -0.411 19852 3941 1 4 . 1 1 190 190 ASP H H 190 7.210 7.210 8.561 -1.351 19852 3942 1 4 . 1 1 191 191 PRO C C 191 176.566 176.566 178.089 -1.523 19852 3943 1 4 . 1 1 191 191 PRO CA C 191 63.965 63.965 65.194 -1.229 19852 3944 1 4 . 1 1 191 191 PRO CB C 191 31.146 31.146 31.837 -0.691 19852 3945 1 4 . 1 1 192 192 ALA N N 192 109.513 109.513 120.592 -11.079 19852 3946 1 4 . 1 1 192 192 ALA CA C 192 53.993 53.993 54.841 -0.848 19852 3947 1 4 . 1 1 192 192 ALA CB C 192 19.441 19.441 18.119 1.323 19852 3948 1 4 . 1 1 192 192 ALA H H 192 7.394 7.394 7.621 -0.227 19852 3949 1 4 . 1 1 193 193 LEU N N 193 119.009 119.009 119.209 -0.200 19852 3950 1 4 . 1 1 193 193 LEU C C 193 175.979 175.979 178.775 -2.796 19852 3951 1 4 . 1 1 193 193 LEU CA C 193 56.336 56.336 57.274 -0.938 19852 3952 1 4 . 1 1 193 193 LEU CB C 193 42.866 42.866 41.381 1.485 19852 3953 1 4 . 1 1 193 193 LEU H H 193 8.340 8.340 8.075 0.265 19852 3954 1 4 . 1 1 194 194 ALA N N 194 121.666 121.666 121.580 0.086 19852 3955 1 4 . 1 1 194 194 ALA C C 194 166.896 166.896 179.271 -12.375 19852 3956 1 4 . 1 1 194 194 ALA CA C 194 55.164 55.164 54.883 0.281 19852 3957 1 4 . 1 1 194 194 ALA CB C 194 16.513 16.513 18.079 -1.566 19852 3958 1 4 . 1 1 194 194 ALA H H 194 8.176 8.176 8.156 0.020 19852 3959 1 4 . 1 1 195 195 ALA N N 195 119.541 119.541 121.228 -1.687 19852 3960 1 4 . 1 1 195 195 ALA C C 195 173.928 173.928 179.782 -5.854 19852 3961 1 4 . 1 1 195 195 ALA CA C 195 57.507 57.507 54.823 2.684 19852 3962 1 4 . 1 1 195 195 ALA CB C 195 19.441 19.441 18.385 1.056 19852 3963 1 4 . 1 1 195 195 ALA H H 195 8.364 8.364 8.057 0.307 19852 3964 1 4 . 1 1 196 196 GLN N N 196 107.322 107.322 118.636 -11.314 19852 3965 1 4 . 1 1 196 196 GLN C C 196 176.273 176.273 178.720 -2.447 19852 3966 1 4 . 1 1 196 196 GLN CA C 196 56.921 56.921 59.245 -2.325 19852 3967 1 4 . 1 1 196 196 GLN CB C 196 29.983 29.983 28.700 1.283 19852 3968 1 4 . 1 1 196 196 GLN H H 196 7.910 7.910 7.860 0.050 19852 3969 1 4 . 1 1 197 197 TYR N N 197 115.623 115.623 119.146 -3.523 19852 3970 1 4 . 1 1 197 197 TYR CA C 197 67.462 67.462 58.966 8.496 19852 3971 1 4 . 1 1 197 197 TYR CB C 197 41.695 41.695 37.755 3.940 19852 3972 1 4 . 1 1 197 197 TYR H H 197 8.196 8.196 8.245 -0.049 19852 3973 1 4 . 1 1 198 198 GLU N N 198 110.244 110.244 120.159 -9.915 19852 3974 1 4 . 1 1 198 198 GLU C C 198 176.273 176.273 178.986 -2.713 19852 3975 1 4 . 1 1 198 198 GLU CA C 198 53.407 53.407 59.474 -6.067 19852 3976 1 4 . 1 1 198 198 GLU CB C 198 30.568 30.568 29.623 0.945 19852 3977 1 4 . 1 1 198 198 GLU H H 198 7.523 7.523 8.341 -0.818 19852 3978 1 4 . 1 1 199 199 HIS N N 199 118.611 118.611 119.887 -1.276 19852 3979 1 4 . 1 1 199 199 HIS C C 199 175.686 175.686 177.342 -1.656 19852 3980 1 4 . 1 1 199 199 HIS CA C 199 56.921 56.921 59.863 -2.942 19852 3981 1 4 . 1 1 199 199 HIS CB C 199 28.226 28.226 29.821 -1.595 19852 3982 1 4 . 1 1 199 199 HIS H H 199 8.512 8.512 8.356 0.156 19852 3983 1 4 . 1 1 200 200 ASP N N 200 120.736 120.736 120.131 0.605 19852 3984 1 4 . 1 1 200 200 ASP C C 200 176.273 176.273 178.944 -2.671 19852 3985 1 4 . 1 1 200 200 ASP CA C 200 56.921 56.921 57.385 -0.463 19852 3986 1 4 . 1 1 200 200 ASP CB C 200 40.524 40.524 40.419 0.105 19852 3987 1 4 . 1 1 200 200 ASP H H 200 7.519 7.519 8.383 -0.864 19852 3988 1 4 . 1 1 201 201 LEU N N 201 116.353 116.353 120.125 -3.772 19852 3989 1 4 . 1 1 201 201 LEU C C 201 178.910 178.910 179.537 -0.627 19852 3990 1 4 . 1 1 201 201 LEU CA C 201 61.606 61.606 57.669 3.937 19852 3991 1 4 . 1 1 201 201 LEU CB C 201 41.109 41.109 42.060 -0.951 19852 3992 1 4 . 1 1 201 201 LEU H H 201 7.722 7.722 8.085 -0.363 19852 3993 1 4 . 1 1 202 202 GLU N N 202 118.080 118.080 119.258 -1.178 19852 3994 1 4 . 1 1 202 202 GLU C C 202 176.566 176.566 178.944 -2.378 19852 3995 1 4 . 1 1 202 202 GLU CA C 202 56.921 56.921 59.063 -2.142 19852 3996 1 4 . 1 1 202 202 GLU CB C 202 30.568 30.568 29.148 1.420 19852 3997 1 4 . 1 1 202 202 GLU H H 202 8.857 8.857 7.944 0.913 19852 3998 1 4 . 1 1 203 203 VAL N N 203 129.369 129.369 119.374 9.995 19852 3999 1 4 . 1 1 203 203 VAL C C 203 178.617 178.617 178.092 0.525 19852 4000 1 4 . 1 1 203 203 VAL CA C 203 64.534 64.534 66.800 -2.266 19852 4001 1 4 . 1 1 203 203 VAL CB C 203 27.640 27.640 31.579 -3.939 19852 4002 1 4 . 1 1 203 203 VAL H H 203 9.283 9.283 8.107 1.176 19852 4003 1 4 . 1 1 204 204 ALA N N 204 109.580 109.580 118.911 -9.331 19852 4004 1 4 . 1 1 204 204 ALA C C 204 176.859 176.859 179.683 -2.824 19852 4005 1 4 . 1 1 204 204 ALA CA C 204 54.579 54.579 53.252 1.327 19852 4006 1 4 . 1 1 204 204 ALA CB C 204 18.270 18.270 18.540 -0.270 19852 4007 1 4 . 1 1 204 204 ALA H H 204 8.528 8.528 7.863 0.665 19852 4008 1 4 . 1 1 205 205 GLN N N 205 115.756 115.756 119.590 -3.834 19852 4009 1 4 . 1 1 205 205 GLN C C 205 175.979 175.979 178.095 -2.116 19852 4010 1 4 . 1 1 205 205 GLN CA C 205 48.137 48.137 58.354 -10.217 19852 4011 1 4 . 1 1 205 205 GLN CB C 205 25.883 25.883 28.903 -3.020 19852 4012 1 4 . 1 1 205 205 GLN H H 205 7.973 7.973 8.017 -0.044 19852 4013 1 4 . 1 1 206 206 THR N N 206 120.271 120.271 110.353 9.918 19852 4014 1 4 . 1 1 206 206 THR C C 206 176.273 176.273 174.207 2.066 19852 4015 1 4 . 1 1 206 206 THR CA C 206 67.462 67.462 62.202 5.260 19852 4016 1 4 . 1 1 206 206 THR CB C 206 70.390 70.390 67.346 3.044 19852 4017 1 4 . 1 1 206 206 THR H H 206 7.585 7.585 7.694 -0.109 19852 4018 1 4 . 1 1 207 207 THR N N 207 111.970 111.970 111.842 0.128 19852 4019 1 4 . 1 1 207 207 THR C C 207 176.566 176.566 173.860 2.706 19852 4020 1 4 . 1 1 207 207 THR CA C 207 64.534 64.534 64.150 0.384 19852 4021 1 4 . 1 1 207 207 THR CB C 207 72.733 72.733 66.525 6.208 19852 4022 1 4 . 1 1 207 207 THR H H 207 7.468 7.468 7.525 -0.057 19852 4023 1 4 . 1 1 208 208 ALA N N 208 115.623 115.623 121.657 -6.034 19852 4024 1 4 . 1 1 208 208 ALA C C 208 168.947 168.947 177.175 -8.228 19852 4025 1 4 . 1 1 208 208 ALA CA C 208 55.164 55.164 51.684 3.480 19852 4026 1 4 . 1 1 208 208 ALA CB C 208 22.369 22.369 20.166 2.203 19852 4027 1 4 . 1 1 208 208 ALA H H 208 7.390 7.390 7.647 -0.257 19852 4028 1 4 . 1 1 209 209 LEU N N 209 117.814 117.814 118.013 -0.199 19852 4029 1 4 . 1 1 209 209 LEU C C 209 176.273 176.273 175.589 0.684 19852 4030 1 4 . 1 1 209 209 LEU CA C 209 58.678 58.678 57.021 1.657 19852 4031 1 4 . 1 1 209 209 LEU CB C 209 46.380 46.380 39.453 6.927 19852 4032 1 4 . 1 1 209 209 LEU H H 209 7.652 7.652 8.345 -0.693 19852 4033 1 4 . 1 1 210 210 PRO C C 210 176.566 176.566 177.281 -0.715 19852 4034 1 4 . 1 1 210 210 PRO CA C 210 63.086 63.086 63.425 -0.339 19852 4035 1 4 . 1 1 210 210 PRO CB C 210 31.146 31.146 32.060 -0.915 19852 4036 1 4 . 1 1 211 211 ASP N N 211 121.134 121.134 125.230 -4.096 19852 4037 1 4 . 1 1 211 211 ASP C C 211 176.273 176.273 178.204 -1.931 19852 4038 1 4 . 1 1 211 211 ASP CA C 211 52.236 52.236 57.720 -5.484 19852 4039 1 4 . 1 1 211 211 ASP CB C 211 42.281 42.281 40.761 1.520 19852 4040 1 4 . 1 1 211 211 ASP H H 211 9.510 9.510 8.929 0.581 19852 4041 1 4 . 1 1 212 212 GLU N N 212 131.162 131.162 119.581 11.581 19852 4042 1 4 . 1 1 212 212 GLU C C 212 176.273 176.273 178.476 -2.203 19852 4043 1 4 . 1 1 212 212 GLU CA C 212 55.164 55.164 59.295 -4.131 19852 4044 1 4 . 1 1 212 212 GLU CB C 212 30.568 30.568 29.362 1.206 19852 4045 1 4 . 1 1 212 212 GLU H H 212 8.399 8.399 8.043 0.356 19852 4046 1 4 . 1 1 213 213 ASP N N 213 115.822 115.822 119.244 -3.422 19852 4047 1 4 . 1 1 213 213 ASP C C 213 174.807 174.807 178.989 -4.182 19852 4048 1 4 . 1 1 213 213 ASP CA C 213 51.065 51.065 57.196 -6.130 19852 4049 1 4 . 1 1 213 213 ASP CB C 213 41.109 41.109 40.501 0.608 19852 4050 1 4 . 1 1 213 213 ASP H H 213 10.699 10.699 7.717 2.982 19852 4051 1 4 . 1 1 214 214 ASP N N 214 112.369 112.369 118.432 -6.063 19852 4052 1 4 . 1 1 214 214 ASP C C 214 178.910 178.910 177.388 1.522 19852 4053 1 4 . 1 1 214 214 ASP CA C 214 54.579 54.579 56.058 -1.479 19852 4054 1 4 . 1 1 214 214 ASP CB C 214 39.353 39.353 40.937 -1.584 19852 4055 1 4 . 1 1 214 214 ASP H H 214 7.464 7.464 7.889 -0.425 19852 4056 1 4 . 1 1 215 215 ASP N N 215 127.244 127.244 118.659 8.585 19852 4057 1 4 . 1 1 215 215 ASP C C 215 176.859 176.859 176.937 -0.078 19852 4058 1 4 . 1 1 215 215 ASP CA C 215 54.579 54.579 56.328 -1.749 19852 4059 1 4 . 1 1 215 215 ASP CB C 215 40.524 40.524 40.957 -0.433 19852 4060 1 4 . 1 1 215 215 ASP H H 215 8.301 8.301 7.943 0.358 19852 4061 1 5 . 1 1 2 2 ALA N N 2 131.228 131.228 122.980 8.248 19852 4062 1 5 . 1 1 2 2 ALA C C 2 187.031 187.031 177.707 9.324 19852 4063 1 5 . 1 1 2 2 ALA CA C 2 53.407 53.407 52.957 0.450 19852 4064 1 5 . 1 1 2 2 ALA CB C 2 20.027 20.027 18.778 1.249 19852 4065 1 5 . 1 1 2 2 ALA H H 2 10.644 10.644 8.334 2.310 19852 4066 1 5 . 1 1 3 3 ALA N N 3 124.521 124.521 122.290 2.231 19852 4067 1 5 . 1 1 3 3 ALA C C 3 176.566 176.566 177.428 -0.862 19852 4068 1 5 . 1 1 3 3 ALA CA C 3 49.894 49.894 51.504 -1.610 19852 4069 1 5 . 1 1 3 3 ALA CB C 3 18.270 18.270 19.467 -1.197 19852 4070 1 5 . 1 1 3 3 ALA H H 3 8.669 8.669 7.722 0.947 19852 4071 1 5 . 1 1 4 4 GLN N N 4 118.080 118.080 119.396 -1.316 19852 4072 1 5 . 1 1 4 4 GLN C C 4 176.273 176.273 177.470 -1.197 19852 4073 1 5 . 1 1 4 4 GLN CA C 4 54.579 54.579 55.995 -1.416 19852 4074 1 5 . 1 1 4 4 GLN CB C 4 27.054 27.054 29.222 -2.168 19852 4075 1 5 . 1 1 4 4 GLN H H 4 8.919 8.919 8.459 0.460 19852 4076 1 5 . 1 1 5 5 GLY N N 5 121.002 121.002 108.429 12.573 19852 4077 1 5 . 1 1 5 5 GLY C C 5 181.877 181.877 174.461 7.416 19852 4078 1 5 . 1 1 5 5 GLY CA C 5 45.794 45.794 44.815 0.979 19852 4079 1 5 . 1 1 5 5 GLY H H 5 8.082 8.082 8.700 -0.618 19852 4080 1 5 . 1 1 6 6 GLU N N 6 129.435 129.435 122.264 7.171 19852 4081 1 5 . 1 1 6 6 GLU C C 6 176.566 176.566 174.963 1.603 19852 4082 1 5 . 1 1 6 6 GLU CA C 6 56.336 56.336 54.449 1.887 19852 4083 1 5 . 1 1 6 6 GLU CB C 6 28.811 28.811 29.702 -0.891 19852 4084 1 5 . 1 1 6 6 GLU H H 6 9.267 9.267 8.135 1.132 19852 4085 1 5 . 1 1 7 7 PRO C C 7 176.566 176.566 176.141 0.425 19852 4086 1 5 . 1 1 7 7 PRO CA C 7 63.672 63.672 62.913 0.759 19852 4087 1 5 . 1 1 7 7 PRO CB C 7 31.146 31.146 32.161 -1.015 19852 4088 1 5 . 1 1 8 8 GLN N N 8 112.502 112.502 121.453 -8.951 19852 4089 1 5 . 1 1 8 8 GLN C C 8 177.445 177.445 176.050 1.395 19852 4090 1 5 . 1 1 8 8 GLN CA C 8 50.479 50.479 54.891 -4.412 19852 4091 1 5 . 1 1 8 8 GLN CB C 8 28.811 28.811 29.418 -0.607 19852 4092 1 5 . 1 1 8 8 GLN H H 8 6.220 6.220 8.397 -2.177 19852 4093 1 5 . 1 1 9 9 VAL N N 9 117.416 117.416 124.027 -6.611 19852 4094 1 5 . 1 1 9 9 VAL C C 9 178.324 178.324 174.309 4.015 19852 4095 1 5 . 1 1 9 9 VAL CA C 9 63.363 63.363 62.376 0.987 19852 4096 1 5 . 1 1 9 9 VAL CB C 9 34.668 34.668 31.293 3.375 19852 4097 1 5 . 1 1 9 9 VAL H H 9 6.561 6.561 8.620 -2.059 19852 4098 1 5 . 1 1 10 10 GLN N N 10 113.896 113.896 124.739 -10.843 19852 4099 1 5 . 1 1 10 10 GLN C C 10 176.273 176.273 174.691 1.582 19852 4100 1 5 . 1 1 10 10 GLN CA C 10 55.164 55.164 53.762 1.402 19852 4101 1 5 . 1 1 10 10 GLN CB C 10 28.226 28.226 32.651 -4.425 19852 4102 1 5 . 1 1 10 10 GLN H H 10 7.847 7.847 7.999 -0.152 19852 4103 1 5 . 1 1 11 11 PHE N N 11 118.744 118.744 121.807 -3.063 19852 4104 1 5 . 1 1 11 11 PHE C C 11 176.566 176.566 174.644 1.922 19852 4105 1 5 . 1 1 11 11 PHE CA C 11 59.849 59.849 56.546 3.303 19852 4106 1 5 . 1 1 11 11 PHE CB C 11 41.109 41.109 43.357 -2.248 19852 4107 1 5 . 1 1 11 11 PHE H H 11 8.262 8.262 8.969 -0.707 19852 4108 1 5 . 1 1 12 12 LYS N N 12 124.123 124.123 122.853 1.270 19852 4109 1 5 . 1 1 12 12 LYS C C 12 177.152 177.152 175.349 1.803 19852 4110 1 5 . 1 1 12 12 LYS CA C 12 57.507 57.507 56.241 1.266 19852 4111 1 5 . 1 1 12 12 LYS CB C 12 28.811 28.811 33.599 -4.788 19852 4112 1 5 . 1 1 12 12 LYS H H 12 8.415 8.415 9.107 -0.692 19852 4113 1 5 . 1 1 13 13 LEU N N 13 112.103 112.103 128.961 -16.858 19852 4114 1 5 . 1 1 13 13 LEU C C 13 177.738 177.738 174.747 2.991 19852 4115 1 5 . 1 1 13 13 LEU CA C 13 54.579 54.579 53.610 0.969 19852 4116 1 5 . 1 1 13 13 LEU CB C 13 42.866 42.866 45.610 -2.744 19852 4117 1 5 . 1 1 13 13 LEU H H 13 6.905 6.905 9.312 -2.407 19852 4118 1 5 . 1 1 14 14 VAL N N 14 127.310 127.310 127.820 -0.510 19852 4119 1 5 . 1 1 14 14 VAL C C 14 175.393 175.393 174.049 1.344 19852 4120 1 5 . 1 1 14 14 VAL CA C 14 70.976 70.976 61.973 9.003 19852 4121 1 5 . 1 1 14 14 VAL CB C 14 28.811 28.811 33.136 -4.325 19852 4122 1 5 . 1 1 14 14 VAL H H 14 8.305 8.305 8.926 -0.621 19852 4123 1 5 . 1 1 15 15 LEU N N 15 121.400 121.400 131.160 -9.760 19852 4124 1 5 . 1 1 15 15 LEU C C 15 173.342 173.342 175.400 -2.058 19852 4125 1 5 . 1 1 15 15 LEU CA C 15 56.336 56.336 53.282 3.054 19852 4126 1 5 . 1 1 15 15 LEU CB C 15 41.695 41.695 44.431 -2.736 19852 4127 1 5 . 1 1 15 15 LEU H H 15 7.785 7.785 8.429 -0.644 19852 4128 1 5 . 1 1 16 16 VAL N N 16 121.267 121.267 121.583 -0.316 19852 4129 1 5 . 1 1 16 16 VAL C C 16 178.324 178.324 174.518 3.806 19852 4130 1 5 . 1 1 16 16 VAL CA C 16 63.363 63.363 58.844 4.519 19852 4131 1 5 . 1 1 16 16 VAL CB C 16 35.839 35.839 35.472 0.367 19852 4132 1 5 . 1 1 16 16 VAL H H 16 8.935 8.935 8.938 -0.003 19852 4133 1 5 . 1 1 17 17 GLY N N 17 127.908 127.908 107.401 20.507 19852 4134 1 5 . 1 1 17 17 GLY C C 17 174.514 174.514 172.309 2.205 19852 4135 1 5 . 1 1 17 17 GLY CA C 17 42.281 42.281 44.793 -2.512 19852 4136 1 5 . 1 1 17 17 GLY H H 17 9.682 9.682 7.278 2.404 19852 4137 1 5 . 1 1 18 18 ASP N N 18 119.673 119.673 120.300 -0.627 19852 4138 1 5 . 1 1 18 18 ASP C C 18 176.859 176.859 176.923 -0.064 19852 4139 1 5 . 1 1 18 18 ASP CA C 18 55.750 55.750 54.664 1.086 19852 4140 1 5 . 1 1 18 18 ASP CB C 18 39.938 39.938 42.314 -2.376 19852 4141 1 5 . 1 1 18 18 ASP H H 18 7.879 7.879 8.359 -0.480 19852 4142 1 5 . 1 1 19 19 GLY N N 19 120.670 120.670 107.412 13.258 19852 4143 1 5 . 1 1 19 19 GLY C C 19 178.324 178.324 175.275 3.049 19852 4144 1 5 . 1 1 19 19 GLY CA C 19 42.281 42.281 45.375 -3.094 19852 4145 1 5 . 1 1 19 19 GLY H H 19 8.825 8.825 8.687 0.138 19852 4146 1 5 . 1 1 20 20 GLY N N 20 129.369 129.369 112.897 16.472 19852 4147 1 5 . 1 1 20 20 GLY C C 20 174.221 174.221 175.942 -1.721 19852 4148 1 5 . 1 1 20 20 GLY CA C 20 41.695 41.695 45.775 -4.080 19852 4149 1 5 . 1 1 20 20 GLY H H 20 8.477 8.477 8.660 -0.183 19852 4150 1 5 . 1 1 21 21 THR N N 21 114.560 114.560 114.388 0.172 19852 4151 1 5 . 1 1 21 21 THR C C 21 178.617 178.617 175.193 3.424 19852 4152 1 5 . 1 1 21 21 THR CA C 21 62.192 62.192 64.729 -2.537 19852 4153 1 5 . 1 1 21 21 THR CB C 21 70.390 70.390 69.172 1.218 19852 4154 1 5 . 1 1 21 21 THR H H 21 8.196 8.196 7.802 0.394 19852 4155 1 5 . 1 1 22 22 GLY N N 22 112.369 112.369 108.170 4.199 19852 4156 1 5 . 1 1 22 22 GLY C C 22 184.807 184.807 175.350 9.457 19852 4157 1 5 . 1 1 22 22 GLY CA C 22 45.209 45.209 44.974 0.235 19852 4158 1 5 . 1 1 22 22 GLY H H 22 6.772 6.772 8.257 -1.485 19852 4159 1 5 . 1 1 23 23 LYS N N 23 124.056 124.056 120.410 3.646 19852 4160 1 5 . 1 1 23 23 LYS C C 23 176.566 176.566 178.041 -1.475 19852 4161 1 5 . 1 1 23 23 LYS CA C 23 56.921 56.921 59.921 -3.000 19852 4162 1 5 . 1 1 23 23 LYS CB C 23 35.839 35.839 32.404 3.435 19852 4163 1 5 . 1 1 23 23 LYS H H 23 8.180 8.180 7.746 0.434 19852 4164 1 5 . 1 1 24 24 THR N N 24 114.627 114.627 114.271 0.356 19852 4165 1 5 . 1 1 24 24 THR C C 24 178.324 178.324 176.607 1.717 19852 4166 1 5 . 1 1 24 24 THR CA C 24 62.192 62.192 67.582 -5.389 19852 4167 1 5 . 1 1 24 24 THR CB C 24 71.562 71.562 67.852 3.710 19852 4168 1 5 . 1 1 24 24 THR H H 24 8.469 8.469 8.437 0.032 19852 4169 1 5 . 1 1 25 25 THR N N 25 110.377 110.377 118.080 -7.703 19852 4170 1 5 . 1 1 25 25 THR C C 25 178.324 178.324 175.777 2.547 19852 4171 1 5 . 1 1 25 25 THR CA C 25 64.534 64.534 67.048 -2.514 19852 4172 1 5 . 1 1 25 25 THR CB C 25 71.562 71.562 68.389 3.172 19852 4173 1 5 . 1 1 25 25 THR H H 25 8.415 8.415 8.092 0.323 19852 4174 1 5 . 1 1 26 26 PHE N N 26 114.295 114.295 122.373 -8.078 19852 4175 1 5 . 1 1 26 26 PHE C C 26 174.514 174.514 177.451 -2.937 19852 4176 1 5 . 1 1 26 26 PHE CA C 26 53.407 53.407 61.254 -7.847 19852 4177 1 5 . 1 1 26 26 PHE CB C 26 40.524 40.524 38.877 1.647 19852 4178 1 5 . 1 1 26 26 PHE H H 26 7.707 7.707 8.271 -0.564 19852 4179 1 5 . 1 1 27 27 VAL N N 27 123.525 123.525 120.295 3.230 19852 4180 1 5 . 1 1 27 27 VAL C C 27 178.031 178.031 177.571 0.460 19852 4181 1 5 . 1 1 27 27 VAL CA C 27 67.462 67.462 66.422 1.040 19852 4182 1 5 . 1 1 27 27 VAL CB C 27 29.397 29.397 31.385 -1.988 19852 4183 1 5 . 1 1 27 27 VAL H H 27 6.987 6.987 8.138 -1.151 19852 4184 1 5 . 1 1 28 28 LYS N N 28 114.228 114.228 117.152 -2.924 19852 4185 1 5 . 1 1 28 28 LYS C C 28 176.566 176.566 177.569 -1.003 19852 4186 1 5 . 1 1 28 28 LYS CA C 28 58.092 58.092 57.918 0.174 19852 4187 1 5 . 1 1 28 28 LYS CB C 28 34.082 34.082 31.731 2.351 19852 4188 1 5 . 1 1 28 28 LYS H H 28 7.429 7.429 7.805 -0.376 19852 4189 1 5 . 1 1 29 29 ARG N N 29 112.037 112.037 117.071 -5.034 19852 4190 1 5 . 1 1 29 29 ARG C C 29 174.221 174.221 176.528 -2.307 19852 4191 1 5 . 1 1 29 29 ARG CA C 29 72.147 72.147 58.364 13.783 19852 4192 1 5 . 1 1 29 29 ARG CB C 29 37.596 37.596 30.209 7.387 19852 4193 1 5 . 1 1 29 29 ARG H H 29 6.803 6.803 7.065 -0.262 19852 4194 1 5 . 1 1 30 30 HIS N N 30 122.396 122.396 119.321 3.075 19852 4195 1 5 . 1 1 30 30 HIS C C 30 172.170 172.170 176.049 -3.879 19852 4196 1 5 . 1 1 30 30 HIS CA C 30 51.651 51.651 55.791 -4.140 19852 4197 1 5 . 1 1 30 30 HIS CB C 30 30.568 30.568 30.002 0.566 19852 4198 1 5 . 1 1 30 30 HIS H H 30 7.644 7.644 7.243 0.401 19852 4199 1 5 . 1 1 31 31 LEU N N 31 110.377 110.377 127.855 -17.478 19852 4200 1 5 . 1 1 31 31 LEU C C 31 178.031 178.031 178.329 -0.298 19852 4201 1 5 . 1 1 31 31 LEU CA C 31 55.164 55.164 57.733 -2.569 19852 4202 1 5 . 1 1 31 31 LEU CB C 31 42.281 42.281 41.672 0.609 19852 4203 1 5 . 1 1 31 31 LEU H H 31 7.894 7.894 7.936 -0.042 19852 4204 1 5 . 1 1 32 32 THR N N 32 118.213 118.213 114.106 4.107 19852 4205 1 5 . 1 1 32 32 THR C C 32 178.910 178.910 176.422 2.488 19852 4206 1 5 . 1 1 32 32 THR CA C 32 63.949 63.949 67.216 -3.267 19852 4207 1 5 . 1 1 32 32 THR CB C 32 72.733 72.733 68.023 4.710 19852 4208 1 5 . 1 1 32 32 THR H H 32 7.570 7.570 8.042 -0.472 19852 4209 1 5 . 1 1 33 33 GLY N N 33 127.841 127.841 109.329 18.512 19852 4210 1 5 . 1 1 33 33 GLY C C 33 161.914 161.914 175.577 -13.663 19852 4211 1 5 . 1 1 33 33 GLY CA C 33 42.866 42.866 46.788 -3.921 19852 4212 1 5 . 1 1 33 33 GLY H H 33 9.662 9.662 8.191 1.471 19852 4213 1 5 . 1 1 34 34 GLU N N 34 122.263 122.263 122.791 -0.528 19852 4214 1 5 . 1 1 34 34 GLU C C 34 176.859 176.859 179.576 -2.717 19852 4215 1 5 . 1 1 34 34 GLU CA C 34 51.651 51.651 58.812 -7.162 19852 4216 1 5 . 1 1 34 34 GLU CB C 34 29.397 29.397 29.629 -0.232 19852 4217 1 5 . 1 1 34 34 GLU H H 34 7.140 7.140 7.797 -0.657 19852 4218 1 5 . 1 1 35 35 PHE N N 35 111.838 111.838 117.904 -6.066 19852 4219 1 5 . 1 1 35 35 PHE C C 35 174.221 174.221 177.650 -3.429 19852 4220 1 5 . 1 1 35 35 PHE CA C 35 49.308 49.308 59.501 -10.193 19852 4221 1 5 . 1 1 35 35 PHE CB C 35 41.695 41.695 38.732 2.963 19852 4222 1 5 . 1 1 35 35 PHE H H 35 6.772 6.772 7.911 -1.139 19852 4223 1 5 . 1 1 36 36 GLU N N 36 124.388 124.388 116.195 8.193 19852 4224 1 5 . 1 1 36 36 GLU C C 36 176.859 176.859 175.970 0.889 19852 4225 1 5 . 1 1 36 36 GLU CA C 36 58.092 58.092 56.156 1.936 19852 4226 1 5 . 1 1 36 36 GLU CB C 36 30.568 30.568 29.888 0.680 19852 4227 1 5 . 1 1 36 36 GLU H H 36 7.734 7.734 8.089 -0.355 19852 4228 1 5 . 1 1 37 37 LYS N N 37 118.810 118.810 119.027 -0.217 19852 4229 1 5 . 1 1 37 37 LYS C C 37 172.756 172.756 176.328 -3.572 19852 4230 1 5 . 1 1 37 37 LYS CA C 37 48.137 48.137 56.596 -8.459 19852 4231 1 5 . 1 1 37 37 LYS CB C 37 37.010 37.010 33.049 3.961 19852 4232 1 5 . 1 1 37 37 LYS H H 37 8.509 8.509 7.241 1.268 19852 4233 1 5 . 1 1 38 38 LYS N N 38 108.052 108.052 121.872 -13.820 19852 4234 1 5 . 1 1 38 38 LYS C C 38 176.273 176.273 174.346 1.927 19852 4235 1 5 . 1 1 38 38 LYS CA C 38 59.849 59.849 54.325 5.524 19852 4236 1 5 . 1 1 38 38 LYS CB C 38 34.668 34.668 34.986 -0.318 19852 4237 1 5 . 1 1 38 38 LYS H H 38 7.715 7.715 8.577 -0.862 19852 4238 1 5 . 1 1 39 39 TYR N N 39 108.650 108.650 124.551 -15.901 19852 4239 1 5 . 1 1 39 39 TYR C C 39 175.686 175.686 175.367 0.319 19852 4240 1 5 . 1 1 39 39 TYR CA C 39 61.020 61.020 56.814 4.206 19852 4241 1 5 . 1 1 39 39 TYR CB C 39 36.424 36.424 40.548 -4.124 19852 4242 1 5 . 1 1 39 39 TYR H H 39 7.362 7.362 8.583 -1.221 19852 4243 1 5 . 1 1 40 40 VAL N N 40 117.947 117.947 128.600 -10.653 19852 4244 1 5 . 1 1 40 40 VAL C C 40 175.393 175.393 175.059 0.334 19852 4245 1 5 . 1 1 40 40 VAL CA C 40 61.020 61.020 60.932 0.088 19852 4246 1 5 . 1 1 40 40 VAL CB C 40 31.154 31.154 31.935 -0.781 19852 4247 1 5 . 1 1 40 40 VAL H H 40 8.442 8.442 8.640 -0.198 19852 4248 1 5 . 1 1 42 42 THR N N 42 117.150 117.150 110.537 6.613 19852 4249 1 5 . 1 1 42 42 THR C C 42 178.910 178.910 175.995 2.915 19852 4250 1 5 . 1 1 42 42 THR CA C 42 60.435 60.435 64.668 -4.233 19852 4251 1 5 . 1 1 42 42 THR CB C 42 70.390 70.390 68.364 2.026 19852 4252 1 5 . 1 1 42 42 THR H H 42 8.192 8.192 8.130 0.062 19852 4253 1 5 . 1 1 43 43 LEU N N 43 119.209 119.209 119.118 0.091 19852 4254 1 5 . 1 1 43 43 LEU C C 43 174.807 174.807 177.457 -2.650 19852 4255 1 5 . 1 1 43 43 LEU CA C 43 57.507 57.507 54.741 2.766 19852 4256 1 5 . 1 1 43 43 LEU CB C 43 42.866 42.866 42.478 0.388 19852 4257 1 5 . 1 1 43 43 LEU H H 43 9.260 9.260 7.905 1.355 19852 4258 1 5 . 1 1 44 44 GLY N N 44 114.361 114.361 108.084 6.277 19852 4259 1 5 . 1 1 44 44 GLY C C 44 178.910 178.910 173.205 5.705 19852 4260 1 5 . 1 1 44 44 GLY CA C 44 54.579 54.579 45.481 9.098 19852 4261 1 5 . 1 1 44 44 GLY H H 44 6.979 6.979 8.207 -1.228 19852 4262 1 5 . 1 1 45 45 VAL N N 45 110.244 110.244 117.682 -7.438 19852 4263 1 5 . 1 1 45 45 VAL C C 45 174.807 174.807 173.628 1.179 19852 4264 1 5 . 1 1 45 45 VAL CA C 45 63.363 63.363 60.750 2.613 19852 4265 1 5 . 1 1 45 45 VAL CB C 45 17.099 17.099 35.679 -18.580 19852 4266 1 5 . 1 1 45 45 VAL H H 45 8.309 8.309 7.258 1.051 19852 4267 1 5 . 1 1 46 46 GLU N N 46 130.365 130.365 125.403 4.962 19852 4268 1 5 . 1 1 46 46 GLU C C 46 176.859 176.859 175.227 1.632 19852 4269 1 5 . 1 1 46 46 GLU CA C 46 55.164 55.164 54.399 0.765 19852 4270 1 5 . 1 1 46 46 GLU CB C 46 32.325 32.325 32.458 -0.133 19852 4271 1 5 . 1 1 46 46 GLU H H 46 9.741 9.741 9.175 0.567 19852 4272 1 5 . 1 1 47 47 VAL N N 47 115.623 115.623 127.877 -12.254 19852 4273 1 5 . 1 1 47 47 VAL C C 47 178.324 178.324 174.832 3.492 19852 4274 1 5 . 1 1 47 47 VAL CA C 47 63.363 63.363 61.056 2.308 19852 4275 1 5 . 1 1 47 47 VAL CB C 47 32.911 32.911 32.401 0.510 19852 4276 1 5 . 1 1 47 47 VAL H H 47 7.339 7.339 8.855 -1.516 19852 4277 1 5 . 1 1 48 48 HIS N N 48 129.236 129.236 127.248 1.988 19852 4278 1 5 . 1 1 48 48 HIS C C 48 169.240 169.240 172.841 -3.601 19852 4279 1 5 . 1 1 48 48 HIS CA C 48 49.894 49.894 53.348 -3.454 19852 4280 1 5 . 1 1 48 48 HIS CB C 48 27.640 27.640 32.361 -4.721 19852 4281 1 5 . 1 1 48 48 HIS H H 48 10.390 10.390 9.195 1.195 19852 4282 1 5 . 1 1 49 49 PRO C C 49 176.273 176.273 175.674 0.599 19852 4283 1 5 . 1 1 49 49 PRO CA C 49 62.500 62.500 62.791 -0.291 19852 4284 1 5 . 1 1 49 49 PRO CB C 49 29.974 29.974 31.465 -1.491 19852 4285 1 5 . 1 1 50 50 LEU N N 50 119.408 119.408 129.117 -9.709 19852 4286 1 5 . 1 1 50 50 LEU C C 50 177.445 177.445 175.270 2.175 19852 4287 1 5 . 1 1 50 50 LEU CA C 50 59.264 59.264 53.978 5.286 19852 4288 1 5 . 1 1 50 50 LEU CB C 50 42.281 42.281 42.588 -0.307 19852 4289 1 5 . 1 1 50 50 LEU H H 50 7.492 7.492 8.881 -1.389 19852 4290 1 5 . 1 1 51 51 VAL N N 51 117.947 117.947 124.962 -7.015 19852 4291 1 5 . 1 1 51 51 VAL C C 51 174.514 174.514 174.823 -0.309 19852 4292 1 5 . 1 1 51 51 VAL CA C 51 64.534 64.534 61.840 2.693 19852 4293 1 5 . 1 1 51 51 VAL CB C 51 37.010 37.010 32.830 4.180 19852 4294 1 5 . 1 1 51 51 VAL H H 51 7.715 7.715 7.964 -0.249 19852 4295 1 5 . 1 1 52 52 PHE N N 52 124.853 124.853 124.468 0.385 19852 4296 1 5 . 1 1 52 52 PHE C C 52 175.100 175.100 173.902 1.198 19852 4297 1 5 . 1 1 52 52 PHE CA C 52 56.336 56.336 56.026 0.310 19852 4298 1 5 . 1 1 52 52 PHE CB C 52 39.938 39.938 42.195 -2.257 19852 4299 1 5 . 1 1 52 52 PHE H H 52 8.935 8.935 8.910 0.025 19852 4300 1 5 . 1 1 53 53 HIS N N 53 120.603 120.603 123.850 -3.247 19852 4301 1 5 . 1 1 53 53 HIS C C 53 170.119 170.119 174.367 -4.248 19852 4302 1 5 . 1 1 53 53 HIS CA C 53 55.164 55.164 54.950 0.214 19852 4303 1 5 . 1 1 53 53 HIS CB C 53 30.568 30.568 31.591 -1.023 19852 4304 1 5 . 1 1 53 53 HIS H H 53 8.356 8.356 9.077 -0.721 19852 4305 1 5 . 1 1 54 54 THR N N 54 112.634 112.634 119.310 -6.676 19852 4306 1 5 . 1 1 54 54 THR C C 54 178.910 178.910 176.514 2.396 19852 4307 1 5 . 1 1 54 54 THR CA C 54 63.363 63.363 58.757 4.606 19852 4308 1 5 . 1 1 54 54 THR CB C 54 72.733 72.733 71.800 0.933 19852 4309 1 5 . 1 1 54 54 THR H H 54 7.574 7.574 8.213 -0.639 19852 4310 1 5 . 1 1 55 55 ASN N N 55 131.095 131.095 120.761 10.334 19852 4311 1 5 . 1 1 55 55 ASN C C 55 176.273 176.273 176.615 -0.342 19852 4312 1 5 . 1 1 55 55 ASN CA C 55 51.065 51.065 55.767 -4.702 19852 4313 1 5 . 1 1 55 55 ASN CB C 55 37.010 37.010 38.000 -0.990 19852 4314 1 5 . 1 1 55 55 ASN H H 55 10.187 10.187 8.708 1.479 19852 4315 1 5 . 1 1 56 56 ARG N N 56 122.064 122.064 118.988 3.076 19852 4316 1 5 . 1 1 56 56 ARG C C 56 175.100 175.100 175.942 -0.842 19852 4317 1 5 . 1 1 56 56 ARG CA C 56 61.606 61.606 55.889 5.717 19852 4318 1 5 . 1 1 56 56 ARG CB C 56 32.911 32.911 30.819 2.092 19852 4319 1 5 . 1 1 56 56 ARG H H 56 7.433 7.433 7.749 -0.316 19852 4320 1 5 . 1 1 57 57 GLY N N 57 127.709 127.709 107.685 20.024 19852 4321 1 5 . 1 1 57 57 GLY C C 57 175.979 175.979 172.051 3.928 19852 4322 1 5 . 1 1 57 57 GLY CA C 57 42.281 42.281 44.279 -1.998 19852 4323 1 5 . 1 1 57 57 GLY H H 57 9.373 9.373 7.432 1.941 19852 4324 1 5 . 1 1 58 58 PRO C C 58 177.152 177.152 175.793 1.359 19852 4325 1 5 . 1 1 58 58 PRO CA C 58 65.137 65.137 62.980 2.157 19852 4326 1 5 . 1 1 58 58 PRO CB C 58 29.095 29.095 32.269 -3.174 19852 4327 1 5 . 1 1 59 59 ILE N N 59 128.638 128.638 122.445 6.193 19852 4328 1 5 . 1 1 59 59 ILE C C 59 175.979 175.979 174.760 1.219 19852 4329 1 5 . 1 1 59 59 ILE CA C 59 65.120 65.120 59.231 5.889 19852 4330 1 5 . 1 1 59 59 ILE CB C 59 40.524 40.524 40.610 -0.086 19852 4331 1 5 . 1 1 59 59 ILE H H 59 8.794 8.794 9.053 -0.259 19852 4332 1 5 . 1 1 60 60 LYS N N 60 115.756 115.756 125.578 -9.822 19852 4333 1 5 . 1 1 60 60 LYS C C 60 175.979 175.979 175.351 0.628 19852 4334 1 5 . 1 1 60 60 LYS CA C 60 56.921 56.921 54.586 2.335 19852 4335 1 5 . 1 1 60 60 LYS CB C 60 32.325 32.325 35.178 -2.853 19852 4336 1 5 . 1 1 60 60 LYS H H 60 7.253 7.253 8.936 -1.683 19852 4337 1 5 . 1 1 61 61 PHE N N 61 120.670 120.670 123.577 -2.907 19852 4338 1 5 . 1 1 61 61 PHE C C 61 175.393 175.393 175.177 0.216 19852 4339 1 5 . 1 1 61 61 PHE CA C 61 57.507 57.507 56.793 0.714 19852 4340 1 5 . 1 1 61 61 PHE CB C 61 41.109 41.109 41.121 -0.012 19852 4341 1 5 . 1 1 61 61 PHE H H 61 7.515 7.515 9.425 -1.910 19852 4342 1 5 . 1 1 62 62 ASN N N 62 119.076 119.076 124.535 -5.459 19852 4343 1 5 . 1 1 62 62 ASN C C 62 175.100 175.100 174.644 0.456 19852 4344 1 5 . 1 1 62 62 ASN CA C 62 53.407 53.407 52.813 0.594 19852 4345 1 5 . 1 1 62 62 ASN CB C 62 38.767 38.767 38.866 -0.099 19852 4346 1 5 . 1 1 62 62 ASN H H 62 7.558 7.558 9.372 -1.814 19852 4347 1 5 . 1 1 63 63 VAL N N 63 106.127 106.127 125.082 -18.955 19852 4348 1 5 . 1 1 63 63 VAL C C 63 175.100 175.100 175.633 -0.533 19852 4349 1 5 . 1 1 63 63 VAL CA C 63 61.020 61.020 62.533 -1.513 19852 4350 1 5 . 1 1 63 63 VAL CB C 63 31.154 31.154 32.380 -1.226 19852 4351 1 5 . 1 1 63 63 VAL H H 63 8.113 8.113 8.952 -0.839 19852 4352 1 5 . 1 1 64 64 TRP N N 64 129.302 129.302 130.384 -1.082 19852 4353 1 5 . 1 1 64 64 TRP C C 64 177.152 177.152 175.088 2.064 19852 4354 1 5 . 1 1 64 64 TRP CA C 64 59.264 59.264 57.036 2.228 19852 4355 1 5 . 1 1 64 64 TRP CB C 64 29.397 29.397 29.809 -0.412 19852 4356 1 5 . 1 1 64 64 TRP H H 64 8.970 8.970 9.641 -0.671 19852 4357 1 5 . 1 1 65 65 ASP N N 65 119.607 119.607 123.438 -3.831 19852 4358 1 5 . 1 1 65 65 ASP C C 65 174.514 174.514 176.026 -1.512 19852 4359 1 5 . 1 1 65 65 ASP CA C 65 55.164 55.164 52.611 2.553 19852 4360 1 5 . 1 1 65 65 ASP CB C 65 41.109 41.109 45.223 -4.114 19852 4361 1 5 . 1 1 65 65 ASP H H 65 8.638 8.638 9.187 -0.549 19852 4362 1 5 . 1 1 66 66 THR N N 66 122.463 122.463 115.809 6.654 19852 4363 1 5 . 1 1 66 66 THR C C 66 178.617 178.617 174.558 4.059 19852 4364 1 5 . 1 1 66 66 THR CA C 66 68.048 68.048 61.700 6.348 19852 4365 1 5 . 1 1 66 66 THR CB C 66 71.562 71.562 69.927 1.635 19852 4366 1 5 . 1 1 66 66 THR H H 66 8.293 8.293 8.519 -0.226 19852 4367 1 5 . 1 1 67 67 ALA N N 67 104.865 104.865 124.000 -19.135 19852 4368 1 5 . 1 1 67 67 ALA C C 67 177.738 177.738 177.846 -0.108 19852 4369 1 5 . 1 1 67 67 ALA CA C 67 48.722 48.722 51.227 -2.505 19852 4370 1 5 . 1 1 67 67 ALA CB C 67 14.171 14.171 18.710 -4.539 19852 4371 1 5 . 1 1 67 67 ALA H H 67 8.657 8.657 8.118 0.539 19852 4372 1 5 . 1 1 68 68 GLY N N 68 115.357 115.357 107.996 7.361 19852 4373 1 5 . 1 1 68 68 GLY C C 68 189.533 189.533 175.925 13.608 19852 4374 1 5 . 1 1 68 68 GLY CA C 68 45.209 45.209 45.351 -0.142 19852 4375 1 5 . 1 1 68 68 GLY H H 68 10.969 10.969 7.723 3.246 19852 4376 1 5 . 1 1 69 69 GLN N N 69 110.111 110.111 119.389 -9.278 19852 4377 1 5 . 1 1 69 69 GLN C C 69 176.859 176.859 176.830 0.029 19852 4378 1 5 . 1 1 69 69 GLN CA C 69 55.750 55.750 58.614 -2.864 19852 4379 1 5 . 1 1 69 69 GLN CB C 69 27.640 27.640 28.016 -0.376 19852 4380 1 5 . 1 1 69 69 GLN H H 69 8.344 8.344 8.541 -0.197 19852 4381 1 5 . 1 1 70 70 GLU N N 70 114.826 114.826 117.463 -2.637 19852 4382 1 5 . 1 1 70 70 GLU C C 70 176.273 176.273 178.272 -1.999 19852 4383 1 5 . 1 1 70 70 GLU CA C 70 57.507 57.507 58.440 -0.933 19852 4384 1 5 . 1 1 70 70 GLU CB C 70 28.811 28.811 29.118 -0.307 19852 4385 1 5 . 1 1 70 70 GLU H H 70 9.651 9.651 8.524 1.127 19852 4386 1 5 . 1 1 71 71 LYS N N 71 116.685 116.685 118.470 -1.785 19852 4387 1 5 . 1 1 71 71 LYS C C 71 175.979 175.979 178.212 -2.233 19852 4388 1 5 . 1 1 71 71 LYS CA C 71 48.722 48.722 58.551 -9.829 19852 4389 1 5 . 1 1 71 71 LYS CB C 71 37.010 37.010 32.729 4.281 19852 4390 1 5 . 1 1 71 71 LYS H H 71 8.712 8.712 7.559 1.153 19852 4391 1 5 . 1 1 72 72 PHE N N 72 114.959 114.959 114.663 0.296 19852 4392 1 5 . 1 1 72 72 PHE C C 72 175.686 175.686 176.207 -0.521 19852 4393 1 5 . 1 1 72 72 PHE CA C 72 56.336 56.336 57.452 -1.116 19852 4394 1 5 . 1 1 72 72 PHE CB C 72 36.424 36.424 39.871 -3.447 19852 4395 1 5 . 1 1 72 72 PHE H H 72 7.965 7.965 7.365 0.600 19852 4396 1 5 . 1 1 73 73 GLY N N 73 117.084 117.084 107.501 9.583 19852 4397 1 5 . 1 1 73 73 GLY C C 73 168.068 168.068 172.361 -4.293 19852 4398 1 5 . 1 1 73 73 GLY CA C 73 42.281 42.281 45.158 -2.877 19852 4399 1 5 . 1 1 73 73 GLY H H 73 7.609 7.609 7.543 0.066 19852 4400 1 5 . 1 1 74 74 GLY N N 74 120.537 120.537 105.764 14.773 19852 4401 1 5 . 1 1 74 74 GLY C C 74 174.514 174.514 174.205 0.309 19852 4402 1 5 . 1 1 74 74 GLY CA C 74 44.037 44.037 44.003 0.034 19852 4403 1 5 . 1 1 74 74 GLY H H 74 9.326 9.326 8.306 1.020 19852 4404 1 5 . 1 1 75 75 LEU N N 75 127.177 127.177 120.212 6.965 19852 4405 1 5 . 1 1 75 75 LEU C C 75 178.617 178.617 177.382 1.235 19852 4406 1 5 . 1 1 75 75 LEU CA C 75 53.407 53.407 54.181 -0.774 19852 4407 1 5 . 1 1 75 75 LEU CB C 75 42.281 42.281 43.054 -0.773 19852 4408 1 5 . 1 1 75 75 LEU H H 75 7.628 7.628 8.602 -0.974 19852 4409 1 5 . 1 1 76 76 ARG N N 76 116.486 116.486 122.188 -5.702 19852 4410 1 5 . 1 1 76 76 ARG C C 76 176.859 176.859 177.246 -0.387 19852 4411 1 5 . 1 1 76 76 ARG CA C 76 59.264 59.264 56.457 2.807 19852 4412 1 5 . 1 1 76 76 ARG CB C 76 31.154 31.154 30.942 0.212 19852 4413 1 5 . 1 1 76 76 ARG H H 76 7.143 7.143 8.741 -1.598 19852 4414 1 5 . 1 1 77 77 ASP N N 77 129.236 129.236 123.035 6.201 19852 4415 1 5 . 1 1 77 77 ASP C C 77 177.152 177.152 178.488 -1.336 19852 4416 1 5 . 1 1 77 77 ASP CA C 77 52.822 52.822 57.897 -5.075 19852 4417 1 5 . 1 1 77 77 ASP CB C 77 41.695 41.695 40.582 1.113 19852 4418 1 5 . 1 1 77 77 ASP H H 77 8.947 8.947 8.915 0.032 19852 4419 1 5 . 1 1 78 78 GLY N N 78 127.244 127.244 107.489 19.755 19852 4420 1 5 . 1 1 78 78 GLY C C 78 173.928 173.928 175.012 -1.084 19852 4421 1 5 . 1 1 78 78 GLY CA C 78 44.623 44.623 46.854 -2.231 19852 4422 1 5 . 1 1 78 78 GLY H H 78 8.219 8.219 8.518 -0.299 19852 4423 1 5 . 1 1 79 79 TYR N N 79 120.537 120.537 120.936 -0.399 19852 4424 1 5 . 1 1 79 79 TYR C C 79 176.273 176.273 176.456 -0.183 19852 4425 1 5 . 1 1 79 79 TYR CA C 79 58.678 58.678 60.651 -1.973 19852 4426 1 5 . 1 1 79 79 TYR CB C 79 40.524 40.524 38.565 1.959 19852 4427 1 5 . 1 1 79 79 TYR H H 79 8.563 8.563 7.382 1.181 19852 4428 1 5 . 1 1 80 80 TYR N N 80 115.822 115.822 115.354 0.468 19852 4429 1 5 . 1 1 80 80 TYR C C 80 175.979 175.979 176.819 -0.840 19852 4430 1 5 . 1 1 80 80 TYR CA C 80 58.092 58.092 60.144 -2.052 19852 4431 1 5 . 1 1 80 80 TYR CB C 80 38.181 38.181 38.733 -0.552 19852 4432 1 5 . 1 1 80 80 TYR H H 80 7.194 7.194 7.336 -0.142 19852 4433 1 5 . 1 1 81 81 ILE N N 81 120.072 120.072 119.195 0.877 19852 4434 1 5 . 1 1 81 81 ILE C C 81 177.445 177.445 175.686 1.759 19852 4435 1 5 . 1 1 81 81 ILE CA C 81 67.462 67.462 63.443 4.019 19852 4436 1 5 . 1 1 81 81 ILE CB C 81 41.109 41.109 38.229 2.880 19852 4437 1 5 . 1 1 81 81 ILE H H 81 8.837 8.837 7.877 0.960 19852 4438 1 5 . 1 1 82 82 GLN N N 82 109.580 109.580 119.886 -10.306 19852 4439 1 5 . 1 1 82 82 GLN C C 82 177.152 177.152 174.642 2.510 19852 4440 1 5 . 1 1 82 82 GLN CA C 82 56.336 56.336 56.612 -0.277 19852 4441 1 5 . 1 1 82 82 GLN CB C 82 24.126 24.126 26.358 -2.232 19852 4442 1 5 . 1 1 82 82 GLN H H 82 8.493 8.493 8.652 -0.159 19852 4443 1 5 . 1 1 83 83 ALA N N 83 109.713 109.713 121.638 -11.925 19852 4444 1 5 . 1 1 83 83 ALA C C 83 175.979 175.979 177.372 -1.393 19852 4445 1 5 . 1 1 83 83 ALA CA C 83 54.579 54.579 53.054 1.525 19852 4446 1 5 . 1 1 83 83 ALA CB C 83 16.513 16.513 19.445 -2.932 19852 4447 1 5 . 1 1 83 83 ALA H H 83 6.306 6.306 7.466 -1.160 19852 4448 1 5 . 1 1 84 84 GLN N N 84 131.380 131.380 122.920 8.460 19852 4449 1 5 . 1 1 84 84 GLN C C 84 175.686 175.686 176.032 -0.346 19852 4450 1 5 . 1 1 84 84 GLN CA C 84 51.065 51.065 56.642 -5.577 19852 4451 1 5 . 1 1 84 84 GLN CB C 84 32.325 32.325 31.198 1.127 19852 4452 1 5 . 1 1 84 84 GLN H H 84 11.169 11.169 8.685 2.484 19852 4453 1 5 . 1 1 85 85 CYS N N 85 124.322 124.322 112.195 12.127 19852 4454 1 5 . 1 1 85 85 CYS C C 85 173.049 173.049 172.709 0.340 19852 4455 1 5 . 1 1 85 85 CYS CA C 85 57.507 57.507 56.162 1.345 19852 4456 1 5 . 1 1 85 85 CYS CB C 85 35.253 35.253 31.759 3.494 19852 4457 1 5 . 1 1 85 85 CYS H H 85 8.602 8.602 8.061 0.541 19852 4458 1 5 . 1 1 86 86 ALA N N 86 114.295 114.295 121.682 -7.387 19852 4459 1 5 . 1 1 86 86 ALA CA C 86 57.507 57.507 50.942 6.565 19852 4460 1 5 . 1 1 86 86 ALA CB C 86 21.784 21.784 22.770 -0.987 19852 4461 1 5 . 1 1 86 86 ALA H H 86 6.897 6.897 8.862 -1.965 19852 4462 1 5 . 1 1 87 87 ILE N N 87 120.670 120.670 120.765 -0.095 19852 4463 1 5 . 1 1 87 87 ILE C C 87 173.928 173.928 174.731 -0.803 19852 4464 1 5 . 1 1 87 87 ILE CA C 87 61.020 61.020 59.934 1.086 19852 4465 1 5 . 1 1 87 87 ILE CB C 87 39.938 39.938 41.418 -1.480 19852 4466 1 5 . 1 1 87 87 ILE H H 87 8.282 8.282 8.656 -0.374 19852 4467 1 5 . 1 1 88 88 ILE N N 88 120.205 120.205 127.141 -6.936 19852 4468 1 5 . 1 1 88 88 ILE C C 88 173.635 173.635 175.116 -1.481 19852 4469 1 5 . 1 1 88 88 ILE CA C 88 64.534 64.534 60.016 4.518 19852 4470 1 5 . 1 1 88 88 ILE CB C 88 37.596 37.596 40.149 -2.553 19852 4471 1 5 . 1 1 88 88 ILE H H 88 5.528 5.528 8.972 -3.444 19852 4472 1 5 . 1 1 89 89 MET N N 89 119.209 119.209 126.008 -6.799 19852 4473 1 5 . 1 1 89 89 MET C C 89 176.566 176.566 175.568 0.998 19852 4474 1 5 . 1 1 89 89 MET CA C 89 56.921 56.921 54.171 2.750 19852 4475 1 5 . 1 1 89 89 MET CB C 89 34.668 34.668 35.383 -0.715 19852 4476 1 5 . 1 1 89 89 MET H H 89 8.164 8.164 8.900 -0.736 19852 4477 1 5 . 1 1 90 90 PHE N N 90 121.134 121.134 119.332 1.802 19852 4478 1 5 . 1 1 90 90 PHE C C 90 175.393 175.393 173.143 2.250 19852 4479 1 5 . 1 1 90 90 PHE CA C 90 60.435 60.435 55.085 5.350 19852 4480 1 5 . 1 1 90 90 PHE CB C 90 38.767 38.767 42.099 -3.332 19852 4481 1 5 . 1 1 90 90 PHE H H 90 9.334 9.334 8.909 0.425 19852 4482 1 5 . 1 1 91 91 ASP N N 91 125.185 125.185 120.632 4.553 19852 4483 1 5 . 1 1 91 91 ASP C C 91 176.566 176.566 178.140 -1.574 19852 4484 1 5 . 1 1 91 91 ASP CA C 91 52.822 52.822 52.046 0.776 19852 4485 1 5 . 1 1 91 91 ASP CB C 91 39.938 39.938 43.124 -3.186 19852 4486 1 5 . 1 1 91 91 ASP H H 91 9.056 9.056 8.601 0.455 19852 4487 1 5 . 1 1 92 92 VAL N N 92 115.158 115.158 123.331 -8.173 19852 4488 1 5 . 1 1 92 92 VAL C C 92 173.342 173.342 176.504 -3.162 19852 4489 1 5 . 1 1 92 92 VAL CA C 92 64.534 64.534 64.717 -0.183 19852 4490 1 5 . 1 1 92 92 VAL CB C 92 37.596 37.596 31.255 6.341 19852 4491 1 5 . 1 1 92 92 VAL H H 92 7.738 7.738 8.635 -0.897 19852 4492 1 5 . 1 1 93 93 THR N N 93 112.302 112.302 110.343 1.959 19852 4493 1 5 . 1 1 93 93 THR C C 93 177.152 177.152 174.789 2.363 19852 4494 1 5 . 1 1 93 93 THR CA C 93 64.534 64.534 62.999 1.535 19852 4495 1 5 . 1 1 93 93 THR CB C 93 72.147 72.147 69.326 2.821 19852 4496 1 5 . 1 1 93 93 THR H H 93 7.269 7.269 8.364 -1.095 19852 4497 1 5 . 1 1 94 94 SER N N 94 122.263 122.263 116.005 6.258 19852 4498 1 5 . 1 1 94 94 SER C C 94 163.965 163.965 174.922 -10.957 19852 4499 1 5 . 1 1 94 94 SER CA C 94 59.849 59.849 55.627 4.222 19852 4500 1 5 . 1 1 94 94 SER CB C 94 62.192 62.192 64.474 -2.282 19852 4501 1 5 . 1 1 94 94 SER H H 94 7.628 7.628 7.804 -0.176 19852 4502 1 5 . 1 1 95 95 ARG N N 95 113.099 113.099 128.706 -15.607 19852 4503 1 5 . 1 1 95 95 ARG C C 95 176.273 176.273 177.794 -1.521 19852 4504 1 5 . 1 1 95 95 ARG CA C 95 53.407 53.407 59.590 -6.183 19852 4505 1 5 . 1 1 95 95 ARG CB C 95 31.154 31.154 30.084 1.070 19852 4506 1 5 . 1 1 95 95 ARG H H 95 8.102 8.102 9.012 -0.910 19852 4507 1 5 . 1 1 96 96 VAL N N 96 124.787 124.787 118.422 6.365 19852 4508 1 5 . 1 1 96 96 VAL C C 96 178.031 178.031 177.412 0.619 19852 4509 1 5 . 1 1 96 96 VAL CA C 96 68.634 68.634 66.581 2.053 19852 4510 1 5 . 1 1 96 96 VAL CB C 96 24.126 24.126 31.350 -7.224 19852 4511 1 5 . 1 1 96 96 VAL H H 96 9.146 9.146 8.060 1.086 19852 4512 1 5 . 1 1 97 97 THR N N 97 111.970 111.970 113.463 -1.493 19852 4513 1 5 . 1 1 97 97 THR C C 97 178.031 178.031 175.770 2.261 19852 4514 1 5 . 1 1 97 97 THR CA C 97 63.949 63.949 65.538 -1.589 19852 4515 1 5 . 1 1 97 97 THR CB C 97 70.390 70.390 68.959 1.431 19852 4516 1 5 . 1 1 97 97 THR H H 97 7.984 7.984 7.647 0.337 19852 4517 1 5 . 1 1 98 98 TYR N N 98 113.232 113.232 122.198 -8.966 19852 4518 1 5 . 1 1 98 98 TYR C C 98 176.273 176.273 177.587 -1.314 19852 4519 1 5 . 1 1 98 98 TYR H H 98 7.605 7.605 7.565 0.040 19852 4520 1 5 . 1 1 99 99 LYS N N 99 121.998 121.998 118.665 3.333 19852 4521 1 5 . 1 1 99 99 LYS C C 99 174.221 174.221 178.290 -4.069 19852 4522 1 5 . 1 1 99 99 LYS CA C 99 59.264 59.264 59.296 -0.032 19852 4523 1 5 . 1 1 99 99 LYS CB C 99 34.668 34.668 32.024 2.644 19852 4524 1 5 . 1 1 99 99 LYS H H 99 8.129 8.129 7.860 0.269 19852 4525 1 5 . 1 1 100 100 ASN N N 100 111.970 111.970 115.892 -3.922 19852 4526 1 5 . 1 1 100 100 ASN C C 100 175.979 175.979 176.593 -0.614 19852 4527 1 5 . 1 1 100 100 ASN CA C 100 53.407 53.407 54.486 -1.079 19852 4528 1 5 . 1 1 100 100 ASN CB C 100 37.596 37.596 38.389 -0.793 19852 4529 1 5 . 1 1 100 100 ASN H H 100 5.778 5.778 7.810 -2.032 19852 4530 1 5 . 1 1 101 101 VAL N N 101 118.877 118.877 121.731 -2.854 19852 4531 1 5 . 1 1 101 101 VAL C C 101 173.635 173.635 175.013 -1.378 19852 4532 1 5 . 1 1 101 101 VAL CA C 101 62.777 62.777 68.346 -5.569 19852 4533 1 5 . 1 1 101 101 VAL CB C 101 27.054 27.054 29.347 -2.293 19852 4534 1 5 . 1 1 101 101 VAL H H 101 7.370 7.370 7.442 -0.072 19852 4535 1 5 . 1 1 102 102 PRO C C 102 176.566 176.566 178.423 -1.857 19852 4536 1 5 . 1 1 102 102 PRO CA C 102 62.500 62.500 66.310 -3.810 19852 4537 1 5 . 1 1 102 102 PRO CB C 102 30.853 30.853 30.895 -0.042 19852 4538 1 5 . 1 1 103 103 ASN N N 103 122.728 122.728 116.907 5.821 19852 4539 1 5 . 1 1 103 103 ASN C C 103 175.100 175.100 177.531 -2.431 19852 4540 1 5 . 1 1 103 103 ASN CA C 103 54.579 54.579 55.832 -1.253 19852 4541 1 5 . 1 1 103 103 ASN CB C 103 38.767 38.767 37.634 1.133 19852 4542 1 5 . 1 1 103 103 ASN H H 103 7.879 7.879 7.528 0.351 19852 4543 1 5 . 1 1 104 104 TRP N N 104 132.158 132.158 121.082 11.076 19852 4544 1 5 . 1 1 104 104 TRP C C 104 176.273 176.273 179.136 -2.863 19852 4545 1 5 . 1 1 104 104 TRP CA C 104 60.435 60.435 60.884 -0.449 19852 4546 1 5 . 1 1 104 104 TRP CB C 104 29.983 29.983 29.330 0.653 19852 4547 1 5 . 1 1 104 104 TRP H H 104 9.541 9.541 7.932 1.609 19852 4548 1 5 . 1 1 105 105 HIS N N 105 120.869 120.869 118.738 2.131 19852 4549 1 5 . 1 1 105 105 HIS C C 105 177.738 177.738 177.668 0.070 19852 4550 1 5 . 1 1 105 105 HIS H H 105 6.971 6.971 8.680 -1.709 19852 4551 1 5 . 1 1 106 106 ARG N N 106 126.314 126.314 118.756 7.558 19852 4552 1 5 . 1 1 106 106 ARG C C 106 176.566 176.566 178.684 -2.118 19852 4553 1 5 . 1 1 106 106 ARG CA C 106 62.777 62.777 59.975 2.802 19852 4554 1 5 . 1 1 106 106 ARG CB C 106 29.397 29.397 30.029 -0.632 19852 4555 1 5 . 1 1 106 106 ARG H H 106 7.507 7.507 8.338 -0.831 19852 4556 1 5 . 1 1 107 107 ASP N N 107 119.076 119.076 120.338 -1.262 19852 4557 1 5 . 1 1 107 107 ASP C C 107 176.566 176.566 178.399 -1.833 19852 4558 1 5 . 1 1 107 107 ASP CA C 107 55.164 55.164 56.985 -1.821 19852 4559 1 5 . 1 1 107 107 ASP CB C 107 41.695 41.695 40.363 1.332 19852 4560 1 5 . 1 1 107 107 ASP H H 107 9.076 9.076 7.995 1.081 19852 4561 1 5 . 1 1 108 108 LEU N N 108 113.299 113.299 120.851 -7.552 19852 4562 1 5 . 1 1 108 108 LEU C C 108 176.273 176.273 178.251 -1.978 19852 4563 1 5 . 1 1 108 108 LEU CA C 108 59.264 59.264 57.631 1.633 19852 4564 1 5 . 1 1 108 108 LEU CB C 108 48.722 48.722 41.873 6.849 19852 4565 1 5 . 1 1 108 108 LEU H H 108 6.725 6.725 7.852 -1.127 19852 4566 1 5 . 1 1 109 109 VAL N N 109 121.267 121.267 118.842 2.425 19852 4567 1 5 . 1 1 109 109 VAL C C 109 175.393 175.393 177.833 -2.440 19852 4568 1 5 . 1 1 109 109 VAL CA C 109 63.949 63.949 65.954 -2.005 19852 4569 1 5 . 1 1 109 109 VAL CB C 109 32.911 32.911 31.308 1.603 19852 4570 1 5 . 1 1 109 109 VAL H H 109 8.763 8.763 8.037 0.726 19852 4571 1 5 . 1 1 110 110 ARG N N 110 112.900 112.900 116.731 -3.831 19852 4572 1 5 . 1 1 110 110 ARG C C 110 176.273 176.273 177.820 -1.547 19852 4573 1 5 . 1 1 110 110 ARG CA C 110 57.507 57.507 58.581 -1.073 19852 4574 1 5 . 1 1 110 110 ARG CB C 110 30.568 30.568 30.304 0.264 19852 4575 1 5 . 1 1 110 110 ARG H H 110 7.241 7.241 7.681 -0.440 19852 4576 1 5 . 1 1 111 111 VAL N N 111 115.556 115.556 117.073 -1.517 19852 4577 1 5 . 1 1 111 111 VAL C C 111 177.445 177.445 176.262 1.183 19852 4578 1 5 . 1 1 111 111 VAL CA C 111 59.849 59.849 64.857 -5.008 19852 4579 1 5 . 1 1 111 111 VAL CB C 111 32.911 32.911 32.709 0.202 19852 4580 1 5 . 1 1 111 111 VAL H H 111 7.566 7.566 7.412 0.154 19852 4581 1 5 . 1 1 112 112 CYS N N 112 114.295 114.295 120.024 -5.729 19852 4582 1 5 . 1 1 112 112 CYS C C 112 169.826 169.826 173.407 -3.581 19852 4583 1 5 . 1 1 112 112 CYS CA C 112 57.507 57.507 57.890 -0.383 19852 4584 1 5 . 1 1 112 112 CYS CB C 112 35.839 35.839 28.871 6.968 19852 4585 1 5 . 1 1 112 112 CYS H H 112 7.425 7.425 8.259 -0.834 19852 4586 1 5 . 1 1 113 113 GLU N N 113 116.486 116.486 126.368 -9.882 19852 4587 1 5 . 1 1 113 113 GLU C C 113 176.566 176.566 175.665 0.901 19852 4588 1 5 . 1 1 113 113 GLU CA C 113 69.219 69.219 56.823 12.396 19852 4589 1 5 . 1 1 113 113 GLU CB C 113 30.568 30.568 30.273 0.295 19852 4590 1 5 . 1 1 113 113 GLU H H 113 7.241 7.241 8.682 -1.441 19852 4591 1 5 . 1 1 114 114 ASN N N 114 129.302 129.302 116.275 13.027 19852 4592 1 5 . 1 1 114 114 ASN C C 114 175.100 175.100 174.832 0.268 19852 4593 1 5 . 1 1 114 114 ASN CA C 114 52.236 52.236 54.112 -1.876 19852 4594 1 5 . 1 1 114 114 ASN CB C 114 39.938 39.938 37.156 2.782 19852 4595 1 5 . 1 1 114 114 ASN H H 114 8.919 8.919 8.583 0.336 19852 4596 1 5 . 1 1 115 115 ILE N N 115 110.443 110.443 115.617 -5.174 19852 4597 1 5 . 1 1 115 115 ILE C C 115 175.100 175.100 174.046 1.054 19852 4598 1 5 . 1 1 115 115 ILE CA C 115 65.705 65.705 58.181 7.524 19852 4599 1 5 . 1 1 115 115 ILE CB C 115 39.353 39.353 38.894 0.459 19852 4600 1 5 . 1 1 115 115 ILE H H 115 9.287 9.287 7.590 1.697 19852 4601 1 5 . 1 1 116 116 PRO C C 116 175.979 175.979 175.679 0.300 19852 4602 1 5 . 1 1 116 116 PRO CA C 116 63.086 63.086 63.035 0.051 19852 4603 1 5 . 1 1 116 116 PRO CB C 116 29.681 29.681 32.554 -2.873 19852 4604 1 5 . 1 1 117 117 ILE N N 117 123.591 123.591 123.226 0.365 19852 4605 1 5 . 1 1 117 117 ILE C C 117 174.807 174.807 175.118 -0.311 19852 4606 1 5 . 1 1 117 117 ILE CA C 117 66.291 66.291 60.274 6.017 19852 4607 1 5 . 1 1 117 117 ILE CB C 117 38.767 38.767 42.306 -3.539 19852 4608 1 5 . 1 1 117 117 ILE H H 117 7.781 7.781 8.620 -0.839 19852 4609 1 5 . 1 1 118 118 VAL N N 118 119.009 119.009 125.279 -6.270 19852 4610 1 5 . 1 1 118 118 VAL C C 118 178.324 178.324 174.635 3.689 19852 4611 1 5 . 1 1 118 118 VAL CA C 118 62.777 62.777 60.780 1.997 19852 4612 1 5 . 1 1 118 118 VAL CB C 118 31.154 31.154 33.932 -2.778 19852 4613 1 5 . 1 1 118 118 VAL H H 118 8.767 8.767 8.745 0.022 19852 4614 1 5 . 1 1 119 119 LEU N N 119 119.408 119.408 126.369 -6.961 19852 4615 1 5 . 1 1 119 119 LEU C C 119 178.031 178.031 176.112 1.919 19852 4616 1 5 . 1 1 119 119 LEU CA C 119 42.866 42.866 53.465 -10.599 19852 4617 1 5 . 1 1 119 119 LEU CB C 119 38.767 38.767 44.079 -5.312 19852 4618 1 5 . 1 1 119 119 LEU H H 119 7.734 7.734 9.007 -1.273 19852 4619 1 5 . 1 1 120 120 CYS N N 120 113.232 113.232 121.662 -8.430 19852 4620 1 5 . 1 1 120 120 CYS C C 120 178.031 178.031 174.193 3.838 19852 4621 1 5 . 1 1 120 120 CYS H H 120 8.317 8.317 9.144 -0.827 19852 4622 1 5 . 1 1 121 121 GLY N N 121 117.349 117.349 112.152 5.197 19852 4623 1 5 . 1 1 121 121 GLY C C 121 176.851 176.851 172.469 4.382 19852 4624 1 5 . 1 1 121 121 GLY CA C 121 41.109 41.109 43.274 -2.165 19852 4625 1 5 . 1 1 121 121 GLY H H 121 7.515 7.515 8.545 -1.030 19852 4626 1 5 . 1 1 122 122 ASN N N 122 125.318 125.318 123.614 1.704 19852 4627 1 5 . 1 1 122 122 ASN C C 122 175.686 175.686 175.628 0.058 19852 4628 1 5 . 1 1 122 122 ASN CA C 122 50.479 50.479 50.914 -0.435 19852 4629 1 5 . 1 1 122 122 ASN CB C 122 39.353 39.353 41.222 -1.869 19852 4630 1 5 . 1 1 122 122 ASN H H 122 9.162 9.162 8.756 0.406 19852 4631 1 5 . 1 1 123 123 LYS N N 123 124.920 124.920 114.533 10.387 19852 4632 1 5 . 1 1 123 123 LYS C C 123 176.566 176.566 176.827 -0.261 19852 4633 1 5 . 1 1 123 123 LYS CA C 123 70.976 70.976 57.639 13.337 19852 4634 1 5 . 1 1 123 123 LYS CB C 123 35.253 35.253 30.407 4.846 19852 4635 1 5 . 1 1 123 123 LYS H H 123 8.086 8.086 8.642 -0.556 19852 4636 1 5 . 1 1 124 124 VAL N N 124 125.517 125.517 112.811 12.706 19852 4637 1 5 . 1 1 124 124 VAL C C 124 177.738 177.738 176.080 1.658 19852 4638 1 5 . 1 1 124 124 VAL CA C 124 62.777 62.777 63.958 -1.181 19852 4639 1 5 . 1 1 124 124 VAL CB C 124 33.496 33.496 31.484 2.012 19852 4640 1 5 . 1 1 124 124 VAL H H 124 9.483 9.483 7.688 1.795 19852 4641 1 5 . 1 1 125 125 ASP N N 125 119.607 119.607 119.415 0.192 19852 4642 1 5 . 1 1 125 125 ASP C C 125 176.566 176.566 177.051 -0.485 19852 4643 1 5 . 1 1 125 125 ASP CA C 125 55.750 55.750 56.415 -0.665 19852 4644 1 5 . 1 1 125 125 ASP CB C 125 40.524 40.524 40.792 -0.268 19852 4645 1 5 . 1 1 125 125 ASP H H 125 7.875 7.875 7.731 0.144 19852 4646 1 5 . 1 1 126 126 ILE N N 126 116.088 116.088 120.960 -4.872 19852 4647 1 5 . 1 1 126 126 ILE C C 126 177.152 177.152 176.572 0.580 19852 4648 1 5 . 1 1 126 126 ILE CA C 126 66.291 66.291 61.739 4.552 19852 4649 1 5 . 1 1 126 126 ILE CB C 126 39.353 39.353 38.397 0.956 19852 4650 1 5 . 1 1 126 126 ILE H H 126 7.511 7.511 7.532 -0.021 19852 4651 1 5 . 1 1 127 127 LYS N N 127 117.681 117.681 126.766 -9.085 19852 4652 1 5 . 1 1 127 127 LYS C C 127 177.152 177.152 176.978 0.174 19852 4653 1 5 . 1 1 127 127 LYS CA C 127 57.507 57.507 58.611 -1.104 19852 4654 1 5 . 1 1 127 127 LYS CB C 127 31.154 31.154 32.785 -1.631 19852 4655 1 5 . 1 1 127 127 LYS H H 127 8.059 8.059 8.438 -0.379 19852 4656 1 5 . 1 1 128 128 ASP N N 128 118.279 118.279 119.127 -0.848 19852 4657 1 5 . 1 1 128 128 ASP C C 128 176.566 176.566 175.110 1.456 19852 4658 1 5 . 1 1 128 128 ASP CA C 128 53.407 53.407 53.148 0.259 19852 4659 1 5 . 1 1 128 128 ASP CB C 128 40.524 40.524 40.123 0.401 19852 4660 1 5 . 1 1 128 128 ASP H H 128 7.241 7.241 8.108 -0.867 19852 4661 1 5 . 1 1 129 129 ARG N N 129 118.943 118.943 125.718 -6.775 19852 4662 1 5 . 1 1 129 129 ARG C C 129 177.738 177.738 175.657 2.081 19852 4663 1 5 . 1 1 129 129 ARG CA C 129 45.794 45.794 56.048 -10.254 19852 4664 1 5 . 1 1 129 129 ARG CB C 129 31.154 31.154 30.846 0.308 19852 4665 1 5 . 1 1 129 129 ARG H H 129 8.423 8.423 7.966 0.457 19852 4666 1 5 . 1 1 130 130 LYS N N 130 109.381 109.381 123.182 -13.801 19852 4667 1 5 . 1 1 130 130 LYS C C 130 176.566 176.566 176.884 -0.318 19852 4668 1 5 . 1 1 130 130 LYS CA C 130 55.164 55.164 56.066 -0.902 19852 4669 1 5 . 1 1 130 130 LYS CB C 130 36.424 36.424 33.610 2.814 19852 4670 1 5 . 1 1 130 130 LYS H H 130 7.296 7.296 8.444 -1.148 19852 4671 1 5 . 1 1 131 131 VAL N N 131 110.377 110.377 121.649 -11.272 19852 4672 1 5 . 1 1 131 131 VAL C C 131 178.617 178.617 174.616 4.001 19852 4673 1 5 . 1 1 131 131 VAL CA C 131 65.705 65.705 61.986 3.719 19852 4674 1 5 . 1 1 131 131 VAL CB C 131 35.839 35.839 31.368 4.471 19852 4675 1 5 . 1 1 131 131 VAL H H 131 9.283 9.283 8.388 0.895 19852 4676 1 5 . 1 1 132 132 LYS N N 132 110.310 110.310 126.992 -16.682 19852 4677 1 5 . 1 1 132 132 LYS C C 132 176.273 176.273 177.863 -1.590 19852 4678 1 5 . 1 1 132 132 LYS CA C 132 59.849 59.849 54.352 5.497 19852 4679 1 5 . 1 1 132 132 LYS CB C 132 35.253 35.253 34.520 0.733 19852 4680 1 5 . 1 1 132 132 LYS H H 132 9.709 9.709 7.590 2.119 19852 4681 1 5 . 1 1 133 133 ALA N N 133 134.349 134.349 124.527 9.822 19852 4682 1 5 . 1 1 133 133 ALA CA C 133 51.065 51.065 55.518 -4.453 19852 4683 1 5 . 1 1 133 133 ALA CB C 133 12.999 12.999 18.103 -5.104 19852 4684 1 5 . 1 1 133 133 ALA H H 133 6.322 6.322 8.832 -2.510 19852 4685 1 5 . 1 1 134 134 LYS N N 134 117.615 117.615 117.747 -0.132 19852 4686 1 5 . 1 1 134 134 LYS C C 134 176.859 176.859 178.950 -2.091 19852 4687 1 5 . 1 1 134 134 LYS CA C 134 55.750 55.750 59.362 -3.612 19852 4688 1 5 . 1 1 134 134 LYS CB C 134 54.579 54.579 32.240 22.339 19852 4689 1 5 . 1 1 134 134 LYS H H 134 6.549 6.549 8.616 -2.067 19852 4690 1 5 . 1 1 135 135 SER N N 135 109.314 109.314 111.569 -2.255 19852 4691 1 5 . 1 1 135 135 SER C C 135 173.635 173.635 174.113 -0.478 19852 4692 1 5 . 1 1 135 135 SER CA C 135 56.336 56.336 57.493 -1.157 19852 4693 1 5 . 1 1 135 135 SER CB C 135 63.949 63.949 64.012 -0.063 19852 4694 1 5 . 1 1 135 135 SER H H 135 7.840 7.840 7.753 0.087 19852 4695 1 5 . 1 1 136 136 ILE N N 136 124.123 124.123 124.180 -0.057 19852 4696 1 5 . 1 1 136 136 ILE C C 136 175.100 175.100 174.574 0.526 19852 4697 1 5 . 1 1 136 136 ILE CA C 136 68.634 68.634 61.811 6.823 19852 4698 1 5 . 1 1 136 136 ILE CB C 136 43.452 43.452 36.947 6.505 19852 4699 1 5 . 1 1 136 136 ILE H H 136 8.098 8.098 7.241 0.857 19852 4700 1 5 . 1 1 137 137 VAL N N 137 113.232 113.232 126.497 -13.265 19852 4701 1 5 . 1 1 137 137 VAL C C 137 176.859 176.859 176.600 0.259 19852 4702 1 5 . 1 1 137 137 VAL CA C 137 64.534 64.534 62.425 2.109 19852 4703 1 5 . 1 1 137 137 VAL CB C 137 34.082 34.082 32.317 1.765 19852 4704 1 5 . 1 1 137 137 VAL H H 137 7.711 7.711 8.374 -0.663 19852 4705 1 5 . 1 1 138 138 PHE N N 138 118.279 118.279 122.585 -4.306 19852 4706 1 5 . 1 1 138 138 PHE C C 138 175.393 175.393 176.286 -0.893 19852 4707 1 5 . 1 1 138 138 PHE CA C 138 58.092 58.092 61.578 -3.486 19852 4708 1 5 . 1 1 138 138 PHE CB C 138 39.353 39.353 38.869 0.484 19852 4709 1 5 . 1 1 138 138 PHE H H 138 8.317 8.317 8.197 0.120 19852 4710 1 5 . 1 1 139 139 HIS N N 139 107.654 107.654 116.128 -8.474 19852 4711 1 5 . 1 1 139 139 HIS C C 139 175.979 175.979 177.484 -1.505 19852 4712 1 5 . 1 1 139 139 HIS CA C 139 53.993 53.993 59.155 -5.162 19852 4713 1 5 . 1 1 139 139 HIS CB C 139 28.811 28.811 29.187 -0.376 19852 4714 1 5 . 1 1 139 139 HIS H H 139 8.016 8.016 7.153 0.863 19852 4715 1 5 . 1 1 140 140 ARG N N 140 117.084 117.084 119.867 -2.783 19852 4716 1 5 . 1 1 140 140 ARG C C 140 176.859 176.859 179.073 -2.214 19852 4717 1 5 . 1 1 140 140 ARG CA C 140 57.507 57.507 59.680 -2.173 19852 4718 1 5 . 1 1 140 140 ARG CB C 140 31.739 31.739 30.068 1.671 19852 4719 1 5 . 1 1 140 140 ARG H H 140 8.763 8.763 7.842 0.921 19852 4720 1 5 . 1 1 141 141 LYS N N 141 115.623 115.623 119.162 -3.539 19852 4721 1 5 . 1 1 141 141 LYS C C 141 173.635 173.635 177.961 -4.326 19852 4722 1 5 . 1 1 141 141 LYS CA C 141 58.092 58.092 58.664 -0.572 19852 4723 1 5 . 1 1 141 141 LYS CB C 141 33.496 33.496 32.142 1.353 19852 4724 1 5 . 1 1 141 141 LYS H H 141 7.449 7.449 7.892 -0.443 19852 4725 1 5 . 1 1 142 142 LYS N N 142 114.162 114.162 114.901 -0.739 19852 4726 1 5 . 1 1 142 142 LYS C C 142 175.979 175.979 175.964 0.015 19852 4727 1 5 . 1 1 142 142 LYS CA C 142 51.065 51.065 54.698 -3.633 19852 4728 1 5 . 1 1 142 142 LYS CB C 142 34.668 34.668 31.955 2.713 19852 4729 1 5 . 1 1 142 142 LYS H H 142 8.982 8.982 7.142 1.840 19852 4730 1 5 . 1 1 143 143 ASN N N 143 112.103 112.103 115.952 -3.849 19852 4731 1 5 . 1 1 143 143 ASN C C 143 175.100 175.100 173.940 1.160 19852 4732 1 5 . 1 1 143 143 ASN CA C 143 53.407 53.407 54.113 -0.706 19852 4733 1 5 . 1 1 143 143 ASN CB C 143 39.938 39.938 37.152 2.786 19852 4734 1 5 . 1 1 143 143 ASN H H 143 7.402 7.402 7.790 -0.388 19852 4735 1 5 . 1 1 144 144 LEU N N 144 118.810 118.810 117.950 0.860 19852 4736 1 5 . 1 1 144 144 LEU CA C 144 53.993 53.993 53.656 0.337 19852 4737 1 5 . 1 1 144 144 LEU CB C 144 42.866 42.866 43.658 -0.792 19852 4738 1 5 . 1 1 144 144 LEU H H 144 7.793 7.793 7.901 -0.108 19852 4739 1 5 . 1 1 145 145 GLN N N 145 119.607 119.607 118.653 0.954 19852 4740 1 5 . 1 1 145 145 GLN C C 145 176.859 176.859 173.900 2.959 19852 4741 1 5 . 1 1 145 145 GLN CA C 145 55.164 55.164 53.436 1.728 19852 4742 1 5 . 1 1 145 145 GLN CB C 145 29.983 29.983 30.001 -0.018 19852 4743 1 5 . 1 1 145 145 GLN H H 145 7.014 7.014 7.493 -0.479 19852 4744 1 5 . 1 1 146 146 TYR N N 146 119.275 119.275 123.931 -4.656 19852 4745 1 5 . 1 1 146 146 TYR C C 146 174.807 174.807 174.078 0.729 19852 4746 1 5 . 1 1 146 146 TYR CA C 146 62.777 62.777 55.555 7.222 19852 4747 1 5 . 1 1 146 146 TYR CB C 146 41.109 41.109 40.386 0.723 19852 4748 1 5 . 1 1 146 146 TYR H H 146 9.350 9.350 7.893 1.457 19852 4749 1 5 . 1 1 147 147 TYR N N 147 123.658 123.658 124.757 -1.099 19852 4750 1 5 . 1 1 147 147 TYR C C 147 177.738 177.738 173.607 4.131 19852 4751 1 5 . 1 1 147 147 TYR CA C 147 58.092 58.092 56.114 1.978 19852 4752 1 5 . 1 1 147 147 TYR CB C 147 39.938 39.938 41.917 -1.979 19852 4753 1 5 . 1 1 147 147 TYR H H 147 8.340 8.340 8.073 0.267 19852 4754 1 5 . 1 1 148 148 ASP N N 148 121.267 121.267 122.848 -1.581 19852 4755 1 5 . 1 1 148 148 ASP C C 148 176.859 176.859 175.564 1.295 19852 4756 1 5 . 1 1 148 148 ASP CA C 148 54.579 54.579 54.086 0.493 19852 4757 1 5 . 1 1 148 148 ASP CB C 148 41.109 41.109 41.605 -0.496 19852 4758 1 5 . 1 1 148 148 ASP H H 148 8.911 8.911 8.381 0.530 19852 4759 1 5 . 1 1 149 149 ILE N N 149 119.607 119.607 116.554 3.053 19852 4760 1 5 . 1 1 149 149 ILE C C 149 174.807 174.807 174.731 0.076 19852 4761 1 5 . 1 1 149 149 ILE CA C 149 61.020 61.020 59.309 1.711 19852 4762 1 5 . 1 1 149 149 ILE CB C 149 39.353 39.353 42.451 -3.098 19852 4763 1 5 . 1 1 149 149 ILE H H 149 8.712 8.712 8.519 0.193 19852 4764 1 5 . 1 1 150 150 SER N N 150 117.349 117.349 118.318 -0.969 19852 4765 1 5 . 1 1 150 150 SER C C 150 175.686 175.686 174.139 1.547 19852 4766 1 5 . 1 1 150 150 SER CA C 150 60.435 60.435 56.595 3.840 19852 4767 1 5 . 1 1 150 150 SER CB C 150 62.192 62.192 66.089 -3.897 19852 4768 1 5 . 1 1 150 150 SER H H 150 8.454 8.454 8.563 -0.109 19852 4769 1 5 . 1 1 151 151 ALA N N 151 131.162 131.162 129.992 1.170 19852 4770 1 5 . 1 1 151 151 ALA C C 151 160.742 160.742 179.391 -18.649 19852 4771 1 5 . 1 1 151 151 ALA CA C 151 53.993 53.993 55.278 -1.285 19852 4772 1 5 . 1 1 151 151 ALA CB C 151 22.369 22.369 18.738 3.631 19852 4773 1 5 . 1 1 151 151 ALA H H 151 10.640 10.640 8.897 1.743 19852 4774 1 5 . 1 1 152 152 LYS N N 152 121.400 121.400 118.686 2.714 19852 4775 1 5 . 1 1 152 152 LYS C C 152 174.221 174.221 178.139 -3.918 19852 4776 1 5 . 1 1 152 152 LYS CA C 152 59.849 59.849 59.605 0.244 19852 4777 1 5 . 1 1 152 152 LYS CB C 152 34.668 34.668 32.316 2.352 19852 4778 1 5 . 1 1 152 152 LYS H H 152 9.099 9.099 8.666 0.433 19852 4779 1 5 . 1 1 153 153 SER N N 153 115.212 115.212 110.691 4.521 19852 4780 1 5 . 1 1 153 153 SER C C 153 177.152 177.152 174.177 2.975 19852 4781 1 5 . 1 1 153 153 SER CA C 153 62.192 62.192 57.772 4.420 19852 4782 1 5 . 1 1 153 153 SER CB C 153 66.291 66.291 63.791 2.499 19852 4783 1 5 . 1 1 153 153 SER H H 153 8.935 8.935 7.941 0.994 19852 4784 1 5 . 1 1 154 154 ASN N N 154 119.341 119.341 116.568 2.773 19852 4785 1 5 . 1 1 154 154 ASN C C 154 175.979 175.979 174.139 1.840 19852 4786 1 5 . 1 1 154 154 ASN CA C 154 49.894 49.894 54.719 -4.825 19852 4787 1 5 . 1 1 154 154 ASN CB C 154 39.353 39.353 36.722 2.631 19852 4788 1 5 . 1 1 154 154 ASN H H 154 7.488 7.488 7.809 -0.321 19852 4789 1 5 . 1 1 155 155 TYR N N 155 113.498 113.498 123.417 -9.919 19852 4790 1 5 . 1 1 155 155 TYR C C 155 173.928 173.928 175.187 -1.259 19852 4791 1 5 . 1 1 155 155 TYR CA C 155 56.336 56.336 59.879 -3.543 19852 4792 1 5 . 1 1 155 155 TYR CB C 155 37.596 37.596 38.895 -1.300 19852 4793 1 5 . 1 1 155 155 TYR H H 155 6.486 6.486 7.995 -1.509 19852 4794 1 5 . 1 1 156 156 ASN N N 156 122.396 122.396 122.542 -0.146 19852 4795 1 5 . 1 1 156 156 ASN C C 156 175.979 175.979 175.085 0.894 19852 4796 1 5 . 1 1 156 156 ASN CA C 156 51.651 51.651 54.190 -2.538 19852 4797 1 5 . 1 1 156 156 ASN CB C 156 38.767 38.767 36.286 2.481 19852 4798 1 5 . 1 1 156 156 ASN H H 156 8.352 8.352 8.732 -0.380 19852 4799 1 5 . 1 1 157 157 PHE N N 157 123.459 123.459 119.440 4.019 19852 4800 1 5 . 1 1 157 157 PHE C C 157 174.221 174.221 176.791 -2.570 19852 4801 1 5 . 1 1 157 157 PHE CA C 157 57.507 57.507 61.288 -3.781 19852 4802 1 5 . 1 1 157 157 PHE CB C 157 39.353 39.353 39.505 -0.152 19852 4803 1 5 . 1 1 157 157 PHE H H 157 7.429 7.429 7.665 -0.236 19852 4804 1 5 . 1 1 158 158 GLU N N 158 112.568 112.568 118.137 -5.569 19852 4805 1 5 . 1 1 158 158 GLU C C 158 176.566 176.566 178.624 -2.058 19852 4806 1 5 . 1 1 158 158 GLU CA C 158 72.147 72.147 59.452 12.695 19852 4807 1 5 . 1 1 158 158 GLU CB C 158 27.640 27.640 29.170 -1.530 19852 4808 1 5 . 1 1 158 158 GLU H H 158 7.495 7.495 8.934 -1.439 19852 4809 1 5 . 1 1 159 159 LYS N N 159 113.232 113.232 118.232 -5.000 19852 4810 1 5 . 1 1 159 159 LYS C C 159 176.566 176.566 175.969 0.597 19852 4811 1 5 . 1 1 159 159 LYS CA C 159 53.993 53.993 60.980 -6.987 19852 4812 1 5 . 1 1 159 159 LYS CB C 159 33.496 33.496 29.788 3.708 19852 4813 1 5 . 1 1 159 159 LYS H H 159 6.862 6.862 7.458 -0.596 19852 4814 1 5 . 1 1 160 160 PRO C C 160 176.273 176.273 178.448 -2.175 19852 4815 1 5 . 1 1 160 160 PRO CA C 160 64.258 64.258 65.397 -1.139 19852 4816 1 5 . 1 1 160 160 PRO CB C 160 32.318 32.318 30.950 1.368 19852 4817 1 5 . 1 1 161 161 PHE N N 161 120.271 120.271 117.195 3.076 19852 4818 1 5 . 1 1 161 161 PHE C C 161 175.100 175.100 177.904 -2.804 19852 4819 1 5 . 1 1 161 161 PHE CA C 161 56.336 56.336 61.628 -5.292 19852 4820 1 5 . 1 1 161 161 PHE CB C 161 39.353 39.353 37.816 1.537 19852 4821 1 5 . 1 1 161 161 PHE H H 161 8.074 8.074 6.986 1.088 19852 4822 1 5 . 1 1 162 162 LEU N N 162 110.177 110.177 119.464 -9.287 19852 4823 1 5 . 1 1 162 162 LEU C C 162 176.273 176.273 178.540 -2.267 19852 4824 1 5 . 1 1 162 162 LEU CA C 162 55.750 55.750 57.915 -2.165 19852 4825 1 5 . 1 1 162 162 LEU CB C 162 44.037 44.037 41.186 2.851 19852 4826 1 5 . 1 1 162 162 LEU H H 162 7.527 7.527 7.997 -0.470 19852 4827 1 5 . 1 1 163 163 TRP N N 163 123.525 123.525 120.955 2.570 19852 4828 1 5 . 1 1 163 163 TRP C C 163 177.152 177.152 178.088 -0.936 19852 4829 1 5 . 1 1 163 163 TRP CA C 163 61.606 61.606 62.095 -0.489 19852 4830 1 5 . 1 1 163 163 TRP CB C 163 28.811 28.811 29.557 -0.746 19852 4831 1 5 . 1 1 163 163 TRP H H 163 7.476 7.476 7.851 -0.375 19852 4832 1 5 . 1 1 164 164 LEU N N 164 119.740 119.740 119.163 0.577 19852 4833 1 5 . 1 1 164 164 LEU C C 164 175.686 175.686 179.011 -3.325 19852 4834 1 5 . 1 1 164 164 LEU CA C 164 61.020 61.020 57.951 3.069 19852 4835 1 5 . 1 1 164 164 LEU CB C 164 45.794 45.794 41.474 4.320 19852 4836 1 5 . 1 1 164 164 LEU H H 164 9.412 9.412 8.160 1.252 19852 4837 1 5 . 1 1 165 165 ALA N N 165 118.013 118.013 121.553 -3.540 19852 4838 1 5 . 1 1 165 165 ALA C C 165 165.723 165.723 179.617 -13.894 19852 4839 1 5 . 1 1 165 165 ALA CA C 165 52.236 52.236 55.373 -3.137 19852 4840 1 5 . 1 1 165 165 ALA CB C 165 21.784 21.784 18.259 3.525 19852 4841 1 5 . 1 1 165 165 ALA H H 165 7.707 7.707 8.555 -0.848 19852 4842 1 5 . 1 1 166 166 ARG N N 166 122.994 122.994 118.002 4.992 19852 4843 1 5 . 1 1 166 166 ARG C C 166 175.979 175.979 179.092 -3.113 19852 4844 1 5 . 1 1 166 166 ARG CA C 166 49.308 49.308 59.216 -9.908 19852 4845 1 5 . 1 1 166 166 ARG CB C 166 29.397 29.397 30.070 -0.673 19852 4846 1 5 . 1 1 166 166 ARG H H 166 8.692 8.692 8.055 0.637 19852 4847 1 5 . 1 1 167 167 LYS N N 167 112.568 112.568 119.391 -6.823 19852 4848 1 5 . 1 1 167 167 LYS C C 167 176.273 176.273 179.271 -2.998 19852 4849 1 5 . 1 1 167 167 LYS CA C 167 58.092 58.092 58.386 -0.294 19852 4850 1 5 . 1 1 167 167 LYS CB C 167 34.668 34.668 31.619 3.049 19852 4851 1 5 . 1 1 167 167 LYS H H 167 6.819 6.819 7.501 -0.682 19852 4852 1 5 . 1 1 168 168 LEU N N 168 114.959 114.959 120.012 -5.053 19852 4853 1 5 . 1 1 168 168 LEU C C 168 177.738 177.738 178.822 -1.084 19852 4854 1 5 . 1 1 168 168 LEU CA C 168 56.921 56.921 57.388 -0.467 19852 4855 1 5 . 1 1 168 168 LEU CB C 168 41.695 41.695 41.381 0.314 19852 4856 1 5 . 1 1 168 168 LEU H H 168 7.269 7.269 8.009 -0.740 19852 4857 1 5 . 1 1 169 169 ILE N N 169 124.986 124.986 117.346 7.640 19852 4858 1 5 . 1 1 169 169 ILE C C 169 171.877 171.877 177.346 -5.469 19852 4859 1 5 . 1 1 169 169 ILE CA C 169 68.048 68.048 62.314 5.734 19852 4860 1 5 . 1 1 169 169 ILE CB C 169 39.353 39.353 37.892 1.461 19852 4861 1 5 . 1 1 169 169 ILE H H 169 8.915 8.915 8.068 0.847 19852 4862 1 5 . 1 1 170 170 GLY N N 170 113.099 113.099 107.444 5.655 19852 4863 1 5 . 1 1 170 170 GLY C C 170 162.496 162.496 173.907 -11.411 19852 4864 1 5 . 1 1 170 170 GLY CA C 170 44.037 44.037 44.957 -0.920 19852 4865 1 5 . 1 1 170 170 GLY H H 170 6.686 6.686 8.005 -1.319 19852 4866 1 5 . 1 1 171 171 ASP N N 171 113.232 113.232 121.210 -7.978 19852 4867 1 5 . 1 1 171 171 ASP C C 171 178.910 178.910 175.301 3.609 19852 4868 1 5 . 1 1 171 171 ASP CA C 171 50.479 50.479 50.547 -0.068 19852 4869 1 5 . 1 1 171 171 ASP CB C 171 41.109 41.109 42.040 -0.931 19852 4870 1 5 . 1 1 171 171 ASP H H 171 6.815 6.815 7.637 -0.822 19852 4871 1 5 . 1 1 172 172 PRO C C 172 176.566 176.566 176.767 -0.201 19852 4872 1 5 . 1 1 172 172 PRO CA C 172 63.965 63.965 64.078 -0.112 19852 4873 1 5 . 1 1 172 172 PRO CB C 172 31.732 31.732 32.201 -0.469 19852 4874 1 5 . 1 1 173 173 ASN N N 173 109.779 109.779 117.263 -7.484 19852 4875 1 5 . 1 1 173 173 ASN C C 173 175.979 175.979 175.219 0.760 19852 4876 1 5 . 1 1 173 173 ASN CA C 173 54.579 54.579 53.105 1.474 19852 4877 1 5 . 1 1 173 173 ASN CB C 173 36.424 36.424 38.930 -2.506 19852 4878 1 5 . 1 1 173 173 ASN H H 173 8.016 8.016 8.321 -0.305 19852 4879 1 5 . 1 1 174 174 LEU N N 174 109.248 109.248 121.917 -12.669 19852 4880 1 5 . 1 1 174 174 LEU C C 174 176.566 176.566 175.950 0.616 19852 4881 1 5 . 1 1 174 174 LEU CA C 174 56.336 56.336 55.904 0.432 19852 4882 1 5 . 1 1 174 174 LEU CB C 174 44.037 44.037 42.123 1.914 19852 4883 1 5 . 1 1 174 174 LEU H H 174 7.871 7.871 7.392 0.479 19852 4884 1 5 . 1 1 175 175 GLU N N 175 125.185 125.185 121.273 3.912 19852 4885 1 5 . 1 1 175 175 GLU C C 175 177.445 177.445 174.704 2.741 19852 4886 1 5 . 1 1 175 175 GLU CA C 175 76.247 76.247 54.534 21.713 19852 4887 1 5 . 1 1 175 175 GLU CB C 175 28.811 28.811 34.308 -5.497 19852 4888 1 5 . 1 1 175 175 GLU H H 175 9.127 9.127 8.687 0.440 19852 4889 1 5 . 1 1 176 176 PHE N N 176 136.873 136.873 122.209 14.664 19852 4890 1 5 . 1 1 176 176 PHE C C 176 178.617 178.617 176.738 1.879 19852 4891 1 5 . 1 1 176 176 PHE CA C 176 59.264 59.264 55.956 3.308 19852 4892 1 5 . 1 1 176 176 PHE CB C 176 44.623 44.623 38.223 6.400 19852 4893 1 5 . 1 1 176 176 PHE H H 176 10.058 10.058 8.611 1.447 19852 4894 1 5 . 1 1 177 177 VAL N N 177 118.877 118.877 126.916 -8.039 19852 4895 1 5 . 1 1 177 177 VAL C C 177 177.445 177.445 175.916 1.529 19852 4896 1 5 . 1 1 177 177 VAL CA C 177 62.777 62.777 64.978 -2.201 19852 4897 1 5 . 1 1 177 177 VAL CB C 177 34.668 34.668 32.276 2.392 19852 4898 1 5 . 1 1 177 177 VAL H H 177 7.789 7.789 8.665 -0.876 19852 4899 1 5 . 1 1 178 178 ALA N N 178 128.904 128.904 120.002 8.902 19852 4900 1 5 . 1 1 178 178 ALA CA C 178 57.507 57.507 51.431 6.076 19852 4901 1 5 . 1 1 178 178 ALA CB C 178 19.441 19.441 21.321 -1.880 19852 4902 1 5 . 1 1 178 178 ALA H H 178 7.566 7.566 7.522 0.044 19852 4903 1 5 . 1 1 179 179 MET N N 179 120.736 120.736 121.703 -0.967 19852 4904 1 5 . 1 1 179 179 MET C C 179 176.859 176.859 175.316 1.543 19852 4905 1 5 . 1 1 179 179 MET CA C 179 56.336 56.336 53.263 3.073 19852 4906 1 5 . 1 1 179 179 MET CB C 179 34.668 34.668 32.491 2.177 19852 4907 1 5 . 1 1 179 179 MET H H 179 7.930 7.930 8.389 -0.459 19852 4908 1 5 . 1 1 180 180 PRO C C 180 177.445 177.445 175.349 2.096 19852 4909 1 5 . 1 1 180 180 PRO CA C 180 64.844 64.844 62.475 2.369 19852 4910 1 5 . 1 1 180 180 PRO CB C 180 29.974 29.974 31.856 -1.882 19852 4911 1 5 . 1 1 181 181 ALA N N 181 128.439 128.439 123.328 5.111 19852 4912 1 5 . 1 1 181 181 ALA C C 181 176.273 176.273 175.785 0.488 19852 4913 1 5 . 1 1 181 181 ALA CA C 181 58.092 58.092 52.048 6.044 19852 4914 1 5 . 1 1 181 181 ALA CB C 181 21.198 21.198 19.165 2.033 19852 4915 1 5 . 1 1 181 181 ALA H H 181 8.673 8.673 8.096 0.577 19852 4916 1 5 . 1 1 182 182 LEU N N 182 122.130 122.130 123.516 -1.386 19852 4917 1 5 . 1 1 182 182 LEU C C 182 177.445 177.445 176.817 0.628 19852 4918 1 5 . 1 1 182 182 LEU CA C 182 55.164 55.164 52.457 2.707 19852 4919 1 5 . 1 1 182 182 LEU CB C 182 42.866 42.866 45.366 -2.500 19852 4920 1 5 . 1 1 182 182 LEU H H 182 8.821 8.821 8.170 0.651 19852 4921 1 5 . 1 1 183 183 ALA N N 183 108.783 108.783 124.939 -16.156 19852 4922 1 5 . 1 1 183 183 ALA C C 183 160.742 160.742 175.533 -14.791 19852 4923 1 5 . 1 1 183 183 ALA CA C 183 51.651 51.651 50.733 0.918 19852 4924 1 5 . 1 1 183 183 ALA CB C 183 18.856 18.856 17.948 0.908 19852 4925 1 5 . 1 1 183 183 ALA H H 183 7.621 7.621 8.282 -0.661 19852 4926 1 5 . 1 1 184 184 PRO C C 184 177.152 177.152 174.908 2.244 19852 4927 1 5 . 1 1 184 184 PRO CA C 184 64.258 64.258 62.110 2.148 19852 4928 1 5 . 1 1 184 184 PRO CB C 184 29.681 29.681 31.550 -1.869 19852 4929 1 5 . 1 1 185 185 PRO C C 185 175.686 175.686 177.122 -1.436 19852 4930 1 5 . 1 1 185 185 PRO CA C 185 63.379 63.379 63.305 0.074 19852 4931 1 5 . 1 1 185 185 PRO CB C 185 35.248 35.248 32.105 3.143 19852 4932 1 5 . 1 1 186 186 GLU N N 186 104.931 104.931 124.988 -20.057 19852 4933 1 5 . 1 1 186 186 GLU C C 186 174.221 174.221 176.766 -2.545 19852 4934 1 5 . 1 1 186 186 GLU CA C 186 57.507 57.507 58.532 -1.025 19852 4935 1 5 . 1 1 186 186 GLU CB C 186 31.739 31.739 30.252 1.487 19852 4936 1 5 . 1 1 186 186 GLU H H 186 8.673 8.673 8.754 -0.081 19852 4937 1 5 . 1 1 187 187 VAL N N 187 124.455 124.455 112.661 11.794 19852 4938 1 5 . 1 1 187 187 VAL C C 187 178.910 178.910 174.136 4.774 19852 4939 1 5 . 1 1 187 187 VAL CA C 187 63.363 63.363 60.593 2.770 19852 4940 1 5 . 1 1 187 187 VAL CB C 187 34.082 34.082 34.665 -0.583 19852 4941 1 5 . 1 1 187 187 VAL H H 187 8.622 8.622 7.500 1.122 19852 4942 1 5 . 1 1 188 188 VAL N N 188 128.572 128.572 121.852 6.720 19852 4943 1 5 . 1 1 188 188 VAL C C 188 178.324 178.324 175.452 2.872 19852 4944 1 5 . 1 1 188 188 VAL CA C 188 68.634 68.634 61.764 6.870 19852 4945 1 5 . 1 1 188 188 VAL CB C 188 31.154 31.154 33.129 -1.975 19852 4946 1 5 . 1 1 188 188 VAL H H 188 8.497 8.497 8.202 0.295 19852 4947 1 5 . 1 1 189 189 MET N N 189 122.795 122.795 126.789 -3.994 19852 4948 1 5 . 1 1 189 189 MET C C 189 177.445 177.445 175.245 2.200 19852 4949 1 5 . 1 1 189 189 MET CA C 189 55.164 55.164 54.871 0.293 19852 4950 1 5 . 1 1 189 189 MET CB C 189 35.253 35.253 33.572 1.681 19852 4951 1 5 . 1 1 189 189 MET H H 189 6.991 6.991 8.414 -1.423 19852 4952 1 5 . 1 1 190 190 ASP N N 190 114.959 114.959 128.358 -13.399 19852 4953 1 5 . 1 1 190 190 ASP C C 190 175.686 175.686 175.670 0.016 19852 4954 1 5 . 1 1 190 190 ASP CA C 190 51.065 51.065 52.439 -1.374 19852 4955 1 5 . 1 1 190 190 ASP CB C 190 41.695 41.695 42.082 -0.387 19852 4956 1 5 . 1 1 190 190 ASP H H 190 7.210 7.210 8.503 -1.293 19852 4957 1 5 . 1 1 191 191 PRO C C 191 176.566 176.566 177.927 -1.361 19852 4958 1 5 . 1 1 191 191 PRO CA C 191 63.965 63.965 65.113 -1.148 19852 4959 1 5 . 1 1 191 191 PRO CB C 191 31.146 31.146 31.764 -0.618 19852 4960 1 5 . 1 1 192 192 ALA N N 192 109.513 109.513 119.633 -10.120 19852 4961 1 5 . 1 1 192 192 ALA CA C 192 53.993 53.993 54.805 -0.812 19852 4962 1 5 . 1 1 192 192 ALA CB C 192 19.441 19.441 18.165 1.276 19852 4963 1 5 . 1 1 192 192 ALA H H 192 7.394 7.394 7.667 -0.273 19852 4964 1 5 . 1 1 193 193 LEU N N 193 119.009 119.009 119.286 -0.277 19852 4965 1 5 . 1 1 193 193 LEU C C 193 175.979 175.979 178.652 -2.673 19852 4966 1 5 . 1 1 193 193 LEU CA C 193 56.336 56.336 57.182 -0.846 19852 4967 1 5 . 1 1 193 193 LEU CB C 193 42.866 42.866 41.292 1.574 19852 4968 1 5 . 1 1 193 193 LEU H H 193 8.340 8.340 7.988 0.352 19852 4969 1 5 . 1 1 194 194 ALA N N 194 121.666 121.666 121.457 0.209 19852 4970 1 5 . 1 1 194 194 ALA C C 194 166.896 166.896 179.237 -12.341 19852 4971 1 5 . 1 1 194 194 ALA CA C 194 55.164 55.164 54.813 0.351 19852 4972 1 5 . 1 1 194 194 ALA CB C 194 16.513 16.513 18.070 -1.557 19852 4973 1 5 . 1 1 194 194 ALA H H 194 8.176 8.176 8.103 0.073 19852 4974 1 5 . 1 1 195 195 ALA N N 195 119.541 119.541 120.804 -1.263 19852 4975 1 5 . 1 1 195 195 ALA C C 195 173.928 173.928 179.539 -5.611 19852 4976 1 5 . 1 1 195 195 ALA CA C 195 57.507 57.507 55.202 2.305 19852 4977 1 5 . 1 1 195 195 ALA CB C 195 19.441 19.441 18.266 1.175 19852 4978 1 5 . 1 1 195 195 ALA H H 195 8.364 8.364 8.079 0.284 19852 4979 1 5 . 1 1 196 196 GLN N N 196 107.322 107.322 119.273 -11.951 19852 4980 1 5 . 1 1 196 196 GLN C C 196 176.273 176.273 178.458 -2.185 19852 4981 1 5 . 1 1 196 196 GLN CA C 196 56.921 56.921 58.532 -1.611 19852 4982 1 5 . 1 1 196 196 GLN CB C 196 29.983 29.983 28.434 1.549 19852 4983 1 5 . 1 1 196 196 GLN H H 196 7.910 7.910 8.068 -0.158 19852 4984 1 5 . 1 1 197 197 TYR N N 197 115.623 115.623 119.274 -3.651 19852 4985 1 5 . 1 1 197 197 TYR CA C 197 67.462 67.462 58.516 8.946 19852 4986 1 5 . 1 1 197 197 TYR CB C 197 41.695 41.695 37.570 4.125 19852 4987 1 5 . 1 1 197 197 TYR H H 197 8.196 8.196 8.379 -0.183 19852 4988 1 5 . 1 1 198 198 GLU N N 198 110.244 110.244 119.203 -8.959 19852 4989 1 5 . 1 1 198 198 GLU C C 198 176.273 176.273 179.184 -2.911 19852 4990 1 5 . 1 1 198 198 GLU CA C 198 53.407 53.407 59.581 -6.175 19852 4991 1 5 . 1 1 198 198 GLU CB C 198 30.568 30.568 29.204 1.363 19852 4992 1 5 . 1 1 198 198 GLU H H 198 7.523 7.523 8.254 -0.731 19852 4993 1 5 . 1 1 199 199 HIS N N 199 118.611 118.611 120.030 -1.419 19852 4994 1 5 . 1 1 199 199 HIS C C 199 175.686 175.686 177.211 -1.525 19852 4995 1 5 . 1 1 199 199 HIS CA C 199 56.921 56.921 59.856 -2.935 19852 4996 1 5 . 1 1 199 199 HIS CB C 199 28.226 28.226 30.166 -1.940 19852 4997 1 5 . 1 1 199 199 HIS H H 199 8.512 8.512 8.309 0.203 19852 4998 1 5 . 1 1 200 200 ASP N N 200 120.736 120.736 120.416 0.320 19852 4999 1 5 . 1 1 200 200 ASP C C 200 176.273 176.273 178.855 -2.582 19852 5000 1 5 . 1 1 200 200 ASP CA C 200 56.921 56.921 57.419 -0.498 19852 5001 1 5 . 1 1 200 200 ASP CB C 200 40.524 40.524 40.419 0.104 19852 5002 1 5 . 1 1 200 200 ASP H H 200 7.519 7.519 8.470 -0.951 19852 5003 1 5 . 1 1 201 201 LEU N N 201 116.353 116.353 120.275 -3.922 19852 5004 1 5 . 1 1 201 201 LEU C C 201 178.910 178.910 179.531 -0.621 19852 5005 1 5 . 1 1 201 201 LEU CA C 201 61.606 61.606 57.915 3.691 19852 5006 1 5 . 1 1 201 201 LEU CB C 201 41.109 41.109 42.017 -0.908 19852 5007 1 5 . 1 1 201 201 LEU H H 201 7.722 7.722 8.073 -0.351 19852 5008 1 5 . 1 1 202 202 GLU N N 202 118.080 118.080 119.252 -1.172 19852 5009 1 5 . 1 1 202 202 GLU C C 202 176.566 176.566 179.275 -2.709 19852 5010 1 5 . 1 1 202 202 GLU CA C 202 56.921 56.921 59.280 -2.359 19852 5011 1 5 . 1 1 202 202 GLU CB C 202 30.568 30.568 29.645 0.923 19852 5012 1 5 . 1 1 202 202 GLU H H 202 8.857 8.857 7.911 0.946 19852 5013 1 5 . 1 1 203 203 VAL N N 203 129.369 129.369 119.436 9.933 19852 5014 1 5 . 1 1 203 203 VAL C C 203 178.617 178.617 177.885 0.732 19852 5015 1 5 . 1 1 203 203 VAL CA C 203 64.534 64.534 66.631 -2.097 19852 5016 1 5 . 1 1 203 203 VAL CB C 203 27.640 27.640 31.537 -3.897 19852 5017 1 5 . 1 1 203 203 VAL H H 203 9.283 9.283 8.115 1.168 19852 5018 1 5 . 1 1 204 204 ALA N N 204 109.580 109.580 118.925 -9.345 19852 5019 1 5 . 1 1 204 204 ALA C C 204 176.859 176.859 179.676 -2.817 19852 5020 1 5 . 1 1 204 204 ALA CA C 204 54.579 54.579 53.165 1.414 19852 5021 1 5 . 1 1 204 204 ALA CB C 204 18.270 18.270 18.586 -0.316 19852 5022 1 5 . 1 1 204 204 ALA H H 204 8.528 8.528 7.748 0.780 19852 5023 1 5 . 1 1 205 205 GLN N N 205 115.756 115.756 119.483 -3.727 19852 5024 1 5 . 1 1 205 205 GLN C C 205 175.979 175.979 178.070 -2.091 19852 5025 1 5 . 1 1 205 205 GLN CA C 205 48.137 48.137 58.403 -10.266 19852 5026 1 5 . 1 1 205 205 GLN CB C 205 25.883 25.883 28.881 -2.998 19852 5027 1 5 . 1 1 205 205 GLN H H 205 7.973 7.973 8.010 -0.037 19852 5028 1 5 . 1 1 206 206 THR N N 206 120.271 120.271 110.587 9.684 19852 5029 1 5 . 1 1 206 206 THR C C 206 176.273 176.273 174.249 2.024 19852 5030 1 5 . 1 1 206 206 THR CA C 206 67.462 67.462 62.339 5.123 19852 5031 1 5 . 1 1 206 206 THR CB C 206 70.390 70.390 67.324 3.066 19852 5032 1 5 . 1 1 206 206 THR H H 206 7.585 7.585 7.645 -0.060 19852 5033 1 5 . 1 1 207 207 THR N N 207 111.970 111.970 111.760 0.210 19852 5034 1 5 . 1 1 207 207 THR C C 207 176.566 176.566 173.849 2.717 19852 5035 1 5 . 1 1 207 207 THR CA C 207 64.534 64.534 64.186 0.347 19852 5036 1 5 . 1 1 207 207 THR CB C 207 72.733 72.733 66.579 6.154 19852 5037 1 5 . 1 1 207 207 THR H H 207 7.468 7.468 7.536 -0.068 19852 5038 1 5 . 1 1 208 208 ALA N N 208 115.623 115.623 121.605 -5.982 19852 5039 1 5 . 1 1 208 208 ALA C C 208 168.947 168.947 177.080 -8.133 19852 5040 1 5 . 1 1 208 208 ALA CA C 208 55.164 55.164 51.877 3.287 19852 5041 1 5 . 1 1 208 208 ALA CB C 208 22.369 22.369 20.105 2.264 19852 5042 1 5 . 1 1 208 208 ALA H H 208 7.390 7.390 7.564 -0.174 19852 5043 1 5 . 1 1 209 209 LEU N N 209 117.814 117.814 117.859 -0.045 19852 5044 1 5 . 1 1 209 209 LEU C C 209 176.273 176.273 175.416 0.857 19852 5045 1 5 . 1 1 209 209 LEU CA C 209 58.678 58.678 56.898 1.780 19852 5046 1 5 . 1 1 209 209 LEU CB C 209 46.380 46.380 39.989 6.391 19852 5047 1 5 . 1 1 209 209 LEU H H 209 7.652 7.652 8.313 -0.661 19852 5048 1 5 . 1 1 210 210 PRO C C 210 176.566 176.566 177.100 -0.534 19852 5049 1 5 . 1 1 210 210 PRO CA C 210 63.086 63.086 63.207 -0.121 19852 5050 1 5 . 1 1 210 210 PRO CB C 210 31.146 31.146 32.034 -0.888 19852 5051 1 5 . 1 1 211 211 ASP N N 211 121.134 121.134 125.175 -4.041 19852 5052 1 5 . 1 1 211 211 ASP C C 211 176.273 176.273 178.281 -2.008 19852 5053 1 5 . 1 1 211 211 ASP CA C 211 52.236 52.236 57.291 -5.055 19852 5054 1 5 . 1 1 211 211 ASP CB C 211 42.281 42.281 40.656 1.625 19852 5055 1 5 . 1 1 211 211 ASP H H 211 9.510 9.510 8.920 0.590 19852 5056 1 5 . 1 1 212 212 GLU N N 212 131.162 131.162 118.244 12.918 19852 5057 1 5 . 1 1 212 212 GLU C C 212 176.273 176.273 177.757 -1.484 19852 5058 1 5 . 1 1 212 212 GLU CA C 212 55.164 55.164 59.176 -4.012 19852 5059 1 5 . 1 1 212 212 GLU CB C 212 30.568 30.568 29.592 0.976 19852 5060 1 5 . 1 1 212 212 GLU H H 212 8.399 8.399 8.098 0.301 19852 5061 1 5 . 1 1 213 213 ASP N N 213 115.822 115.822 118.600 -2.778 19852 5062 1 5 . 1 1 213 213 ASP C C 213 174.807 174.807 178.856 -4.049 19852 5063 1 5 . 1 1 213 213 ASP CA C 213 51.065 51.065 56.858 -5.793 19852 5064 1 5 . 1 1 213 213 ASP CB C 213 41.109 41.109 40.714 0.395 19852 5065 1 5 . 1 1 213 213 ASP H H 213 10.699 10.699 7.436 3.263 19852 5066 1 5 . 1 1 214 214 ASP N N 214 112.369 112.369 119.641 -7.272 19852 5067 1 5 . 1 1 214 214 ASP C C 214 178.910 178.910 177.431 1.479 19852 5068 1 5 . 1 1 214 214 ASP CA C 214 54.579 54.579 56.235 -1.656 19852 5069 1 5 . 1 1 214 214 ASP CB C 214 39.353 39.353 40.951 -1.598 19852 5070 1 5 . 1 1 214 214 ASP H H 214 7.464 7.464 8.000 -0.536 19852 5071 1 5 . 1 1 215 215 ASP N N 215 127.244 127.244 118.108 9.136 19852 5072 1 5 . 1 1 215 215 ASP C C 215 176.859 176.859 176.775 0.084 19852 5073 1 5 . 1 1 215 215 ASP CA C 215 54.579 54.579 56.312 -1.733 19852 5074 1 5 . 1 1 215 215 ASP CB C 215 40.524 40.524 41.010 -0.485 19852 5075 1 5 . 1 1 215 215 ASP H H 215 8.301 8.301 8.136 0.165 19852 5076 1 6 . 1 1 2 2 ALA N N 2 131.228 131.228 123.618 7.610 19852 5077 1 6 . 1 1 2 2 ALA C C 2 187.031 187.031 178.035 8.996 19852 5078 1 6 . 1 1 2 2 ALA CA C 2 53.407 53.407 53.449 -0.042 19852 5079 1 6 . 1 1 2 2 ALA CB C 2 20.027 20.027 18.419 1.609 19852 5080 1 6 . 1 1 2 2 ALA H H 2 10.644 10.644 8.298 2.346 19852 5081 1 6 . 1 1 3 3 ALA N N 3 124.521 124.521 121.538 2.983 19852 5082 1 6 . 1 1 3 3 ALA C C 3 176.566 176.566 177.135 -0.569 19852 5083 1 6 . 1 1 3 3 ALA CA C 3 49.894 49.894 51.483 -1.589 19852 5084 1 6 . 1 1 3 3 ALA CB C 3 18.270 18.270 19.604 -1.334 19852 5085 1 6 . 1 1 3 3 ALA H H 3 8.669 8.669 7.719 0.950 19852 5086 1 6 . 1 1 4 4 GLN N N 4 118.080 118.080 121.588 -3.508 19852 5087 1 6 . 1 1 4 4 GLN C C 4 176.273 176.273 177.292 -1.019 19852 5088 1 6 . 1 1 4 4 GLN CA C 4 54.579 54.579 56.075 -1.496 19852 5089 1 6 . 1 1 4 4 GLN CB C 4 27.054 27.054 29.370 -2.317 19852 5090 1 6 . 1 1 4 4 GLN H H 4 8.919 8.919 8.347 0.572 19852 5091 1 6 . 1 1 5 5 GLY N N 5 121.002 121.002 110.217 10.785 19852 5092 1 6 . 1 1 5 5 GLY C C 5 181.877 181.877 174.594 7.283 19852 5093 1 6 . 1 1 5 5 GLY CA C 5 45.794 45.794 45.090 0.704 19852 5094 1 6 . 1 1 5 5 GLY H H 5 8.082 8.082 8.732 -0.650 19852 5095 1 6 . 1 1 6 6 GLU N N 6 129.435 129.435 121.754 7.681 19852 5096 1 6 . 1 1 6 6 GLU C C 6 176.566 176.566 175.109 1.457 19852 5097 1 6 . 1 1 6 6 GLU CA C 6 56.336 56.336 54.824 1.512 19852 5098 1 6 . 1 1 6 6 GLU CB C 6 28.811 28.811 29.734 -0.923 19852 5099 1 6 . 1 1 6 6 GLU H H 6 9.267 9.267 8.252 1.015 19852 5100 1 6 . 1 1 7 7 PRO C C 7 176.566 176.566 176.366 0.200 19852 5101 1 6 . 1 1 7 7 PRO CA C 7 63.672 63.672 62.786 0.886 19852 5102 1 6 . 1 1 7 7 PRO CB C 7 31.146 31.146 32.285 -1.139 19852 5103 1 6 . 1 1 8 8 GLN N N 8 112.502 112.502 119.662 -7.160 19852 5104 1 6 . 1 1 8 8 GLN C C 8 177.445 177.445 176.321 1.124 19852 5105 1 6 . 1 1 8 8 GLN CA C 8 50.479 50.479 55.884 -5.405 19852 5106 1 6 . 1 1 8 8 GLN CB C 8 28.811 28.811 28.633 0.179 19852 5107 1 6 . 1 1 8 8 GLN H H 8 6.220 6.220 8.371 -2.151 19852 5108 1 6 . 1 1 9 9 VAL N N 9 117.416 117.416 126.040 -8.624 19852 5109 1 6 . 1 1 9 9 VAL C C 9 178.324 178.324 174.212 4.112 19852 5110 1 6 . 1 1 9 9 VAL CA C 9 63.363 63.363 61.839 1.524 19852 5111 1 6 . 1 1 9 9 VAL CB C 9 34.668 34.668 31.939 2.729 19852 5112 1 6 . 1 1 9 9 VAL H H 9 6.561 6.561 8.634 -2.073 19852 5113 1 6 . 1 1 10 10 GLN N N 10 113.896 113.896 124.739 -10.843 19852 5114 1 6 . 1 1 10 10 GLN C C 10 176.273 176.273 174.766 1.507 19852 5115 1 6 . 1 1 10 10 GLN CA C 10 55.164 55.164 53.937 1.227 19852 5116 1 6 . 1 1 10 10 GLN CB C 10 28.226 28.226 32.073 -3.847 19852 5117 1 6 . 1 1 10 10 GLN H H 10 7.847 7.847 8.223 -0.376 19852 5118 1 6 . 1 1 11 11 PHE N N 11 118.744 118.744 122.607 -3.863 19852 5119 1 6 . 1 1 11 11 PHE C C 11 176.566 176.566 174.650 1.916 19852 5120 1 6 . 1 1 11 11 PHE CA C 11 59.849 59.849 56.491 3.358 19852 5121 1 6 . 1 1 11 11 PHE CB C 11 41.109 41.109 42.912 -1.803 19852 5122 1 6 . 1 1 11 11 PHE H H 11 8.262 8.262 8.964 -0.702 19852 5123 1 6 . 1 1 12 12 LYS N N 12 124.123 124.123 122.768 1.355 19852 5124 1 6 . 1 1 12 12 LYS C C 12 177.152 177.152 175.072 2.080 19852 5125 1 6 . 1 1 12 12 LYS CA C 12 57.507 57.507 55.825 1.681 19852 5126 1 6 . 1 1 12 12 LYS CB C 12 28.811 28.811 33.164 -4.353 19852 5127 1 6 . 1 1 12 12 LYS H H 12 8.415 8.415 8.972 -0.557 19852 5128 1 6 . 1 1 13 13 LEU N N 13 112.103 112.103 128.252 -16.149 19852 5129 1 6 . 1 1 13 13 LEU C C 13 177.738 177.738 174.643 3.095 19852 5130 1 6 . 1 1 13 13 LEU CA C 13 54.579 54.579 53.341 1.238 19852 5131 1 6 . 1 1 13 13 LEU CB C 13 42.866 42.866 45.766 -2.900 19852 5132 1 6 . 1 1 13 13 LEU H H 13 6.905 6.905 9.009 -2.104 19852 5133 1 6 . 1 1 14 14 VAL N N 14 127.310 127.310 126.882 0.428 19852 5134 1 6 . 1 1 14 14 VAL C C 14 175.393 175.393 173.790 1.603 19852 5135 1 6 . 1 1 14 14 VAL CA C 14 70.976 70.976 61.917 9.059 19852 5136 1 6 . 1 1 14 14 VAL CB C 14 28.811 28.811 32.889 -4.078 19852 5137 1 6 . 1 1 14 14 VAL H H 14 8.305 8.305 8.788 -0.483 19852 5138 1 6 . 1 1 15 15 LEU N N 15 121.400 121.400 131.287 -9.887 19852 5139 1 6 . 1 1 15 15 LEU C C 15 173.342 173.342 174.979 -1.637 19852 5140 1 6 . 1 1 15 15 LEU CA C 15 56.336 56.336 53.288 3.048 19852 5141 1 6 . 1 1 15 15 LEU CB C 15 41.695 41.695 44.286 -2.591 19852 5142 1 6 . 1 1 15 15 LEU H H 15 7.785 7.785 8.264 -0.479 19852 5143 1 6 . 1 1 16 16 VAL N N 16 121.267 121.267 119.954 1.313 19852 5144 1 6 . 1 1 16 16 VAL C C 16 178.324 178.324 174.529 3.795 19852 5145 1 6 . 1 1 16 16 VAL CA C 16 63.363 63.363 58.681 4.682 19852 5146 1 6 . 1 1 16 16 VAL CB C 16 35.839 35.839 35.192 0.647 19852 5147 1 6 . 1 1 16 16 VAL H H 16 8.935 8.935 8.699 0.236 19852 5148 1 6 . 1 1 17 17 GLY N N 17 127.908 127.908 107.464 20.444 19852 5149 1 6 . 1 1 17 17 GLY C C 17 174.514 174.514 172.446 2.068 19852 5150 1 6 . 1 1 17 17 GLY CA C 17 42.281 42.281 45.023 -2.742 19852 5151 1 6 . 1 1 17 17 GLY H H 17 9.682 9.682 7.409 2.273 19852 5152 1 6 . 1 1 18 18 ASP N N 18 119.673 119.673 120.466 -0.793 19852 5153 1 6 . 1 1 18 18 ASP C C 18 176.859 176.859 177.119 -0.260 19852 5154 1 6 . 1 1 18 18 ASP CA C 18 55.750 55.750 54.286 1.464 19852 5155 1 6 . 1 1 18 18 ASP CB C 18 39.938 39.938 42.278 -2.340 19852 5156 1 6 . 1 1 18 18 ASP H H 18 7.879 7.879 8.399 -0.520 19852 5157 1 6 . 1 1 19 19 GLY N N 19 120.670 120.670 107.792 12.878 19852 5158 1 6 . 1 1 19 19 GLY C C 19 178.324 178.324 175.089 3.235 19852 5159 1 6 . 1 1 19 19 GLY CA C 19 42.281 42.281 45.390 -3.109 19852 5160 1 6 . 1 1 19 19 GLY H H 19 8.825 8.825 8.674 0.151 19852 5161 1 6 . 1 1 20 20 GLY N N 20 129.369 129.369 112.892 16.477 19852 5162 1 6 . 1 1 20 20 GLY C C 20 174.221 174.221 175.886 -1.665 19852 5163 1 6 . 1 1 20 20 GLY CA C 20 41.695 41.695 45.587 -3.892 19852 5164 1 6 . 1 1 20 20 GLY H H 20 8.477 8.477 8.687 -0.210 19852 5165 1 6 . 1 1 21 21 THR N N 21 114.560 114.560 117.994 -3.434 19852 5166 1 6 . 1 1 21 21 THR C C 21 178.617 178.617 174.910 3.707 19852 5167 1 6 . 1 1 21 21 THR CA C 21 62.192 62.192 66.274 -4.082 19852 5168 1 6 . 1 1 21 21 THR CB C 21 70.390 70.390 69.159 1.231 19852 5169 1 6 . 1 1 21 21 THR H H 21 8.196 8.196 7.802 0.394 19852 5170 1 6 . 1 1 22 22 GLY N N 22 112.369 112.369 106.141 6.228 19852 5171 1 6 . 1 1 22 22 GLY C C 22 184.807 184.807 175.170 9.637 19852 5172 1 6 . 1 1 22 22 GLY CA C 22 45.209 45.209 45.125 0.084 19852 5173 1 6 . 1 1 22 22 GLY H H 22 6.772 6.772 8.366 -1.594 19852 5174 1 6 . 1 1 23 23 LYS N N 23 124.056 124.056 121.462 2.594 19852 5175 1 6 . 1 1 23 23 LYS C C 23 176.566 176.566 178.052 -1.486 19852 5176 1 6 . 1 1 23 23 LYS CA C 23 56.921 56.921 59.695 -2.774 19852 5177 1 6 . 1 1 23 23 LYS CB C 23 35.839 35.839 32.072 3.767 19852 5178 1 6 . 1 1 23 23 LYS H H 23 8.180 8.180 8.523 -0.343 19852 5179 1 6 . 1 1 24 24 THR N N 24 114.627 114.627 114.753 -0.126 19852 5180 1 6 . 1 1 24 24 THR C C 24 178.324 178.324 176.505 1.819 19852 5181 1 6 . 1 1 24 24 THR CA C 24 62.192 62.192 67.245 -5.053 19852 5182 1 6 . 1 1 24 24 THR CB C 24 71.562 71.562 67.943 3.619 19852 5183 1 6 . 1 1 24 24 THR H H 24 8.469 8.469 8.156 0.313 19852 5184 1 6 . 1 1 25 25 THR N N 25 110.377 110.377 118.309 -7.932 19852 5185 1 6 . 1 1 25 25 THR C C 25 178.324 178.324 175.861 2.463 19852 5186 1 6 . 1 1 25 25 THR CA C 25 64.534 64.534 67.204 -2.671 19852 5187 1 6 . 1 1 25 25 THR CB C 25 71.562 71.562 68.450 3.112 19852 5188 1 6 . 1 1 25 25 THR H H 25 8.415 8.415 8.122 0.293 19852 5189 1 6 . 1 1 26 26 PHE N N 26 114.295 114.295 122.515 -8.220 19852 5190 1 6 . 1 1 26 26 PHE C C 26 174.514 174.514 177.450 -2.936 19852 5191 1 6 . 1 1 26 26 PHE CA C 26 53.407 53.407 61.694 -8.287 19852 5192 1 6 . 1 1 26 26 PHE CB C 26 40.524 40.524 39.031 1.493 19852 5193 1 6 . 1 1 26 26 PHE H H 26 7.707 7.707 8.201 -0.494 19852 5194 1 6 . 1 1 27 27 VAL N N 27 123.525 123.525 120.256 3.269 19852 5195 1 6 . 1 1 27 27 VAL C C 27 178.031 178.031 177.625 0.406 19852 5196 1 6 . 1 1 27 27 VAL CA C 27 67.462 67.462 66.553 0.909 19852 5197 1 6 . 1 1 27 27 VAL CB C 27 29.397 29.397 31.530 -2.133 19852 5198 1 6 . 1 1 27 27 VAL H H 27 6.987 6.987 8.238 -1.251 19852 5199 1 6 . 1 1 28 28 LYS N N 28 114.228 114.228 117.107 -2.879 19852 5200 1 6 . 1 1 28 28 LYS C C 28 176.566 176.566 177.509 -0.943 19852 5201 1 6 . 1 1 28 28 LYS CA C 28 58.092 58.092 57.894 0.198 19852 5202 1 6 . 1 1 28 28 LYS CB C 28 34.082 34.082 31.757 2.325 19852 5203 1 6 . 1 1 28 28 LYS H H 28 7.429 7.429 7.908 -0.479 19852 5204 1 6 . 1 1 29 29 ARG N N 29 112.037 112.037 117.050 -5.013 19852 5205 1 6 . 1 1 29 29 ARG C C 29 174.221 174.221 176.501 -2.280 19852 5206 1 6 . 1 1 29 29 ARG CA C 29 72.147 72.147 58.396 13.751 19852 5207 1 6 . 1 1 29 29 ARG CB C 29 37.596 37.596 30.320 7.277 19852 5208 1 6 . 1 1 29 29 ARG H H 29 6.803 6.803 7.090 -0.287 19852 5209 1 6 . 1 1 30 30 HIS N N 30 122.396 122.396 119.366 3.030 19852 5210 1 6 . 1 1 30 30 HIS C C 30 172.170 172.170 176.173 -4.003 19852 5211 1 6 . 1 1 30 30 HIS CA C 30 51.651 51.651 55.798 -4.147 19852 5212 1 6 . 1 1 30 30 HIS CB C 30 30.568 30.568 30.072 0.496 19852 5213 1 6 . 1 1 30 30 HIS H H 30 7.644 7.644 7.312 0.332 19852 5214 1 6 . 1 1 31 31 LEU N N 31 110.377 110.377 128.031 -17.654 19852 5215 1 6 . 1 1 31 31 LEU C C 31 178.031 178.031 178.720 -0.689 19852 5216 1 6 . 1 1 31 31 LEU CA C 31 55.164 55.164 58.194 -3.030 19852 5217 1 6 . 1 1 31 31 LEU CB C 31 42.281 42.281 41.927 0.354 19852 5218 1 6 . 1 1 31 31 LEU H H 31 7.894 7.894 7.995 -0.101 19852 5219 1 6 . 1 1 32 32 THR N N 32 118.213 118.213 114.559 3.654 19852 5220 1 6 . 1 1 32 32 THR C C 32 178.910 178.910 176.676 2.234 19852 5221 1 6 . 1 1 32 32 THR CA C 32 63.949 63.949 67.614 -3.665 19852 5222 1 6 . 1 1 32 32 THR CB C 32 72.733 72.733 68.111 4.622 19852 5223 1 6 . 1 1 32 32 THR H H 32 7.570 7.570 8.318 -0.748 19852 5224 1 6 . 1 1 33 33 GLY N N 33 127.841 127.841 109.415 18.426 19852 5225 1 6 . 1 1 33 33 GLY C C 33 161.914 161.914 175.608 -13.694 19852 5226 1 6 . 1 1 33 33 GLY CA C 33 42.866 42.866 46.847 -3.981 19852 5227 1 6 . 1 1 33 33 GLY H H 33 9.662 9.662 8.345 1.317 19852 5228 1 6 . 1 1 34 34 GLU N N 34 122.263 122.263 122.937 -0.674 19852 5229 1 6 . 1 1 34 34 GLU C C 34 176.859 176.859 179.582 -2.723 19852 5230 1 6 . 1 1 34 34 GLU CA C 34 51.651 51.651 58.631 -6.980 19852 5231 1 6 . 1 1 34 34 GLU CB C 34 29.397 29.397 29.523 -0.126 19852 5232 1 6 . 1 1 34 34 GLU H H 34 7.140 7.140 7.883 -0.743 19852 5233 1 6 . 1 1 35 35 PHE N N 35 111.838 111.838 118.751 -6.913 19852 5234 1 6 . 1 1 35 35 PHE C C 35 174.221 174.221 177.797 -3.576 19852 5235 1 6 . 1 1 35 35 PHE CA C 35 49.308 49.308 60.816 -11.508 19852 5236 1 6 . 1 1 35 35 PHE CB C 35 41.695 41.695 38.990 2.705 19852 5237 1 6 . 1 1 35 35 PHE H H 35 6.772 6.772 8.089 -1.317 19852 5238 1 6 . 1 1 36 36 GLU N N 36 124.388 124.388 115.526 8.862 19852 5239 1 6 . 1 1 36 36 GLU C C 36 176.859 176.859 175.802 1.057 19852 5240 1 6 . 1 1 36 36 GLU CA C 36 58.092 58.092 55.511 2.581 19852 5241 1 6 . 1 1 36 36 GLU CB C 36 30.568 30.568 29.158 1.410 19852 5242 1 6 . 1 1 36 36 GLU H H 36 7.734 7.734 8.183 -0.449 19852 5243 1 6 . 1 1 37 37 LYS N N 37 118.810 118.810 120.083 -1.273 19852 5244 1 6 . 1 1 37 37 LYS C C 37 172.756 172.756 176.850 -4.094 19852 5245 1 6 . 1 1 37 37 LYS CA C 37 48.137 48.137 56.733 -8.596 19852 5246 1 6 . 1 1 37 37 LYS CB C 37 37.010 37.010 32.516 4.494 19852 5247 1 6 . 1 1 37 37 LYS H H 37 8.509 8.509 7.262 1.247 19852 5248 1 6 . 1 1 38 38 LYS N N 38 108.052 108.052 124.275 -16.223 19852 5249 1 6 . 1 1 38 38 LYS C C 38 176.273 176.273 174.547 1.726 19852 5250 1 6 . 1 1 38 38 LYS CA C 38 59.849 59.849 54.275 5.574 19852 5251 1 6 . 1 1 38 38 LYS CB C 38 34.668 34.668 35.071 -0.403 19852 5252 1 6 . 1 1 38 38 LYS H H 38 7.715 7.715 8.482 -0.767 19852 5253 1 6 . 1 1 39 39 TYR N N 39 108.650 108.650 125.920 -17.270 19852 5254 1 6 . 1 1 39 39 TYR C C 39 175.686 175.686 175.411 0.275 19852 5255 1 6 . 1 1 39 39 TYR CA C 39 61.020 61.020 57.592 3.428 19852 5256 1 6 . 1 1 39 39 TYR CB C 39 36.424 36.424 39.476 -3.052 19852 5257 1 6 . 1 1 39 39 TYR H H 39 7.362 7.362 8.684 -1.322 19852 5258 1 6 . 1 1 40 40 VAL N N 40 117.947 117.947 128.589 -10.642 19852 5259 1 6 . 1 1 40 40 VAL C C 40 175.393 175.393 175.057 0.336 19852 5260 1 6 . 1 1 40 40 VAL CA C 40 61.020 61.020 60.723 0.297 19852 5261 1 6 . 1 1 40 40 VAL CB C 40 31.154 31.154 32.186 -1.032 19852 5262 1 6 . 1 1 40 40 VAL H H 40 8.442 8.442 8.413 0.029 19852 5263 1 6 . 1 1 42 42 THR N N 42 117.150 117.150 111.346 5.804 19852 5264 1 6 . 1 1 42 42 THR C C 42 178.910 178.910 176.360 2.550 19852 5265 1 6 . 1 1 42 42 THR CA C 42 60.435 60.435 64.500 -4.065 19852 5266 1 6 . 1 1 42 42 THR CB C 42 70.390 70.390 68.138 2.252 19852 5267 1 6 . 1 1 42 42 THR H H 42 8.192 8.192 8.049 0.143 19852 5268 1 6 . 1 1 43 43 LEU N N 43 119.209 119.209 122.081 -2.872 19852 5269 1 6 . 1 1 43 43 LEU C C 43 174.807 174.807 177.530 -2.723 19852 5270 1 6 . 1 1 43 43 LEU CA C 43 57.507 57.507 55.506 2.001 19852 5271 1 6 . 1 1 43 43 LEU CB C 43 42.866 42.866 41.863 1.003 19852 5272 1 6 . 1 1 43 43 LEU H H 43 9.260 9.260 7.810 1.450 19852 5273 1 6 . 1 1 44 44 GLY N N 44 114.361 114.361 105.800 8.561 19852 5274 1 6 . 1 1 44 44 GLY C C 44 178.910 178.910 173.239 5.671 19852 5275 1 6 . 1 1 44 44 GLY CA C 44 54.579 54.579 45.487 9.092 19852 5276 1 6 . 1 1 44 44 GLY H H 44 6.979 6.979 8.078 -1.099 19852 5277 1 6 . 1 1 45 45 VAL N N 45 110.244 110.244 112.172 -1.928 19852 5278 1 6 . 1 1 45 45 VAL C C 45 174.807 174.807 173.240 1.567 19852 5279 1 6 . 1 1 45 45 VAL CA C 45 63.363 63.363 58.802 4.561 19852 5280 1 6 . 1 1 45 45 VAL CB C 45 17.099 17.099 35.212 -18.113 19852 5281 1 6 . 1 1 45 45 VAL H H 45 8.309 8.309 7.002 1.307 19852 5282 1 6 . 1 1 46 46 GLU N N 46 130.365 130.365 123.169 7.196 19852 5283 1 6 . 1 1 46 46 GLU C C 46 176.859 176.859 175.298 1.561 19852 5284 1 6 . 1 1 46 46 GLU CA C 46 55.164 55.164 54.310 0.854 19852 5285 1 6 . 1 1 46 46 GLU CB C 46 32.325 32.325 32.698 -0.373 19852 5286 1 6 . 1 1 46 46 GLU H H 46 9.741 9.741 8.964 0.777 19852 5287 1 6 . 1 1 47 47 VAL N N 47 115.623 115.623 127.464 -11.841 19852 5288 1 6 . 1 1 47 47 VAL C C 47 178.324 178.324 174.962 3.362 19852 5289 1 6 . 1 1 47 47 VAL CA C 47 63.363 63.363 61.523 1.840 19852 5290 1 6 . 1 1 47 47 VAL CB C 47 32.911 32.911 32.420 0.490 19852 5291 1 6 . 1 1 47 47 VAL H H 47 7.339 7.339 8.946 -1.607 19852 5292 1 6 . 1 1 48 48 HIS N N 48 129.236 129.236 126.962 2.274 19852 5293 1 6 . 1 1 48 48 HIS C C 48 169.240 169.240 173.182 -3.942 19852 5294 1 6 . 1 1 48 48 HIS CA C 48 49.894 49.894 53.363 -3.469 19852 5295 1 6 . 1 1 48 48 HIS CB C 48 27.640 27.640 32.224 -4.584 19852 5296 1 6 . 1 1 48 48 HIS H H 48 10.390 10.390 9.473 0.917 19852 5297 1 6 . 1 1 49 49 PRO C C 49 176.273 176.273 175.639 0.634 19852 5298 1 6 . 1 1 49 49 PRO CA C 49 62.500 62.500 62.829 -0.329 19852 5299 1 6 . 1 1 49 49 PRO CB C 49 29.974 29.974 31.731 -1.757 19852 5300 1 6 . 1 1 50 50 LEU N N 50 119.408 119.408 129.040 -9.632 19852 5301 1 6 . 1 1 50 50 LEU C C 50 177.445 177.445 175.287 2.158 19852 5302 1 6 . 1 1 50 50 LEU CA C 50 59.264 59.264 54.083 5.181 19852 5303 1 6 . 1 1 50 50 LEU CB C 50 42.281 42.281 42.683 -0.402 19852 5304 1 6 . 1 1 50 50 LEU H H 50 7.492 7.492 8.988 -1.496 19852 5305 1 6 . 1 1 51 51 VAL N N 51 117.947 117.947 124.530 -6.583 19852 5306 1 6 . 1 1 51 51 VAL C C 51 174.514 174.514 175.109 -0.595 19852 5307 1 6 . 1 1 51 51 VAL CA C 51 64.534 64.534 62.055 2.479 19852 5308 1 6 . 1 1 51 51 VAL CB C 51 37.010 37.010 32.653 4.357 19852 5309 1 6 . 1 1 51 51 VAL H H 51 7.715 7.715 8.108 -0.393 19852 5310 1 6 . 1 1 52 52 PHE N N 52 124.853 124.853 126.791 -1.938 19852 5311 1 6 . 1 1 52 52 PHE C C 52 175.100 175.100 174.069 1.031 19852 5312 1 6 . 1 1 52 52 PHE CA C 52 56.336 56.336 56.550 -0.214 19852 5313 1 6 . 1 1 52 52 PHE CB C 52 39.938 39.938 42.366 -2.428 19852 5314 1 6 . 1 1 52 52 PHE H H 52 8.935 8.935 9.174 -0.239 19852 5315 1 6 . 1 1 53 53 HIS N N 53 120.603 120.603 124.492 -3.889 19852 5316 1 6 . 1 1 53 53 HIS C C 53 170.119 170.119 174.199 -4.080 19852 5317 1 6 . 1 1 53 53 HIS CA C 53 55.164 55.164 54.655 0.509 19852 5318 1 6 . 1 1 53 53 HIS CB C 53 30.568 30.568 31.288 -0.720 19852 5319 1 6 . 1 1 53 53 HIS H H 53 8.356 8.356 9.010 -0.654 19852 5320 1 6 . 1 1 54 54 THR N N 54 112.634 112.634 117.802 -5.168 19852 5321 1 6 . 1 1 54 54 THR C C 54 178.910 178.910 175.114 3.796 19852 5322 1 6 . 1 1 54 54 THR CA C 54 63.363 63.363 58.991 4.372 19852 5323 1 6 . 1 1 54 54 THR CB C 54 72.733 72.733 72.076 0.657 19852 5324 1 6 . 1 1 54 54 THR H H 54 7.574 7.574 8.025 -0.451 19852 5325 1 6 . 1 1 55 55 ASN N N 55 131.095 131.095 118.346 12.749 19852 5326 1 6 . 1 1 55 55 ASN C C 55 176.273 176.273 177.080 -0.807 19852 5327 1 6 . 1 1 55 55 ASN CA C 55 51.065 51.065 55.361 -4.296 19852 5328 1 6 . 1 1 55 55 ASN CB C 55 37.010 37.010 38.254 -1.244 19852 5329 1 6 . 1 1 55 55 ASN H H 55 10.187 10.187 8.420 1.767 19852 5330 1 6 . 1 1 56 56 ARG N N 56 122.064 122.064 118.168 3.896 19852 5331 1 6 . 1 1 56 56 ARG C C 56 175.100 175.100 176.409 -1.309 19852 5332 1 6 . 1 1 56 56 ARG CA C 56 61.606 61.606 57.573 4.033 19852 5333 1 6 . 1 1 56 56 ARG CB C 56 32.911 32.911 31.235 1.675 19852 5334 1 6 . 1 1 56 56 ARG H H 56 7.433 7.433 7.792 -0.359 19852 5335 1 6 . 1 1 57 57 GLY N N 57 127.709 127.709 103.625 24.084 19852 5336 1 6 . 1 1 57 57 GLY C C 57 175.979 175.979 171.638 4.341 19852 5337 1 6 . 1 1 57 57 GLY CA C 57 42.281 42.281 44.408 -2.127 19852 5338 1 6 . 1 1 57 57 GLY H H 57 9.373 9.373 7.388 1.985 19852 5339 1 6 . 1 1 58 58 PRO C C 58 177.152 177.152 175.795 1.357 19852 5340 1 6 . 1 1 58 58 PRO CA C 58 65.137 65.137 63.158 1.979 19852 5341 1 6 . 1 1 58 58 PRO CB C 58 29.095 29.095 32.282 -3.187 19852 5342 1 6 . 1 1 59 59 ILE N N 59 128.638 128.638 122.900 5.738 19852 5343 1 6 . 1 1 59 59 ILE C C 59 175.979 175.979 174.917 1.062 19852 5344 1 6 . 1 1 59 59 ILE CA C 59 65.120 65.120 60.181 4.939 19852 5345 1 6 . 1 1 59 59 ILE CB C 59 40.524 40.524 41.452 -0.928 19852 5346 1 6 . 1 1 59 59 ILE H H 59 8.794 8.794 9.075 -0.281 19852 5347 1 6 . 1 1 60 60 LYS N N 60 115.756 115.756 125.473 -9.717 19852 5348 1 6 . 1 1 60 60 LYS C C 60 175.979 175.979 175.518 0.461 19852 5349 1 6 . 1 1 60 60 LYS CA C 60 56.921 56.921 54.698 2.223 19852 5350 1 6 . 1 1 60 60 LYS CB C 60 32.325 32.325 34.703 -2.377 19852 5351 1 6 . 1 1 60 60 LYS H H 60 7.253 7.253 8.645 -1.392 19852 5352 1 6 . 1 1 61 61 PHE N N 61 120.670 120.670 124.055 -3.385 19852 5353 1 6 . 1 1 61 61 PHE C C 61 175.393 175.393 175.241 0.152 19852 5354 1 6 . 1 1 61 61 PHE CA C 61 57.507 57.507 56.846 0.661 19852 5355 1 6 . 1 1 61 61 PHE CB C 61 41.109 41.109 41.148 -0.039 19852 5356 1 6 . 1 1 61 61 PHE H H 61 7.515 7.515 9.481 -1.966 19852 5357 1 6 . 1 1 62 62 ASN N N 62 119.076 119.076 124.610 -5.534 19852 5358 1 6 . 1 1 62 62 ASN C C 62 175.100 175.100 174.600 0.500 19852 5359 1 6 . 1 1 62 62 ASN CA C 62 53.407 53.407 53.286 0.121 19852 5360 1 6 . 1 1 62 62 ASN CB C 62 38.767 38.767 39.031 -0.264 19852 5361 1 6 . 1 1 62 62 ASN H H 62 7.558 7.558 9.361 -1.803 19852 5362 1 6 . 1 1 63 63 VAL N N 63 106.127 106.127 125.606 -19.479 19852 5363 1 6 . 1 1 63 63 VAL C C 63 175.100 175.100 175.692 -0.592 19852 5364 1 6 . 1 1 63 63 VAL CA C 63 61.020 61.020 62.767 -1.747 19852 5365 1 6 . 1 1 63 63 VAL CB C 63 31.154 31.154 32.600 -1.446 19852 5366 1 6 . 1 1 63 63 VAL H H 63 8.113 8.113 9.188 -1.075 19852 5367 1 6 . 1 1 64 64 TRP N N 64 129.302 129.302 129.891 -0.589 19852 5368 1 6 . 1 1 64 64 TRP C C 64 177.152 177.152 175.836 1.316 19852 5369 1 6 . 1 1 64 64 TRP CA C 64 59.264 59.264 54.719 4.545 19852 5370 1 6 . 1 1 64 64 TRP CB C 64 29.397 29.397 29.583 -0.186 19852 5371 1 6 . 1 1 64 64 TRP H H 64 8.970 8.970 9.568 -0.598 19852 5372 1 6 . 1 1 65 65 ASP N N 65 119.607 119.607 123.595 -3.988 19852 5373 1 6 . 1 1 65 65 ASP C C 65 174.514 174.514 175.943 -1.429 19852 5374 1 6 . 1 1 65 65 ASP CA C 65 55.164 55.164 52.744 2.420 19852 5375 1 6 . 1 1 65 65 ASP CB C 65 41.109 41.109 45.070 -3.961 19852 5376 1 6 . 1 1 65 65 ASP H H 65 8.638 8.638 9.240 -0.602 19852 5377 1 6 . 1 1 66 66 THR N N 66 122.463 122.463 114.590 7.873 19852 5378 1 6 . 1 1 66 66 THR C C 66 178.617 178.617 174.734 3.883 19852 5379 1 6 . 1 1 66 66 THR CA C 66 68.048 68.048 61.717 6.331 19852 5380 1 6 . 1 1 66 66 THR CB C 66 71.562 71.562 69.748 1.814 19852 5381 1 6 . 1 1 66 66 THR H H 66 8.293 8.293 8.407 -0.114 19852 5382 1 6 . 1 1 67 67 ALA N N 67 104.865 104.865 124.333 -19.468 19852 5383 1 6 . 1 1 67 67 ALA C C 67 177.738 177.738 177.377 0.361 19852 5384 1 6 . 1 1 67 67 ALA CA C 67 48.722 48.722 52.083 -3.361 19852 5385 1 6 . 1 1 67 67 ALA CB C 67 14.171 14.171 19.117 -4.946 19852 5386 1 6 . 1 1 67 67 ALA H H 67 8.657 8.657 8.415 0.242 19852 5387 1 6 . 1 1 68 68 GLY N N 68 115.357 115.357 107.194 8.163 19852 5388 1 6 . 1 1 68 68 GLY C C 68 189.533 189.533 176.301 13.232 19852 5389 1 6 . 1 1 68 68 GLY CA C 68 45.209 45.209 45.291 -0.083 19852 5390 1 6 . 1 1 68 68 GLY H H 68 10.969 10.969 7.657 3.312 19852 5391 1 6 . 1 1 69 69 GLN N N 69 110.111 110.111 119.671 -9.560 19852 5392 1 6 . 1 1 69 69 GLN C C 69 176.859 176.859 177.467 -0.608 19852 5393 1 6 . 1 1 69 69 GLN CA C 69 55.750 55.750 58.939 -3.189 19852 5394 1 6 . 1 1 69 69 GLN CB C 69 27.640 27.640 28.254 -0.614 19852 5395 1 6 . 1 1 69 69 GLN H H 69 8.344 8.344 8.673 -0.329 19852 5396 1 6 . 1 1 70 70 GLU N N 70 114.826 114.826 117.875 -3.049 19852 5397 1 6 . 1 1 70 70 GLU C C 70 176.273 176.273 177.863 -1.590 19852 5398 1 6 . 1 1 70 70 GLU CA C 70 57.507 57.507 58.755 -1.248 19852 5399 1 6 . 1 1 70 70 GLU CB C 70 28.811 28.811 29.398 -0.587 19852 5400 1 6 . 1 1 70 70 GLU H H 70 9.651 9.651 8.646 1.005 19852 5401 1 6 . 1 1 71 71 LYS N N 71 116.685 116.685 117.889 -1.204 19852 5402 1 6 . 1 1 71 71 LYS C C 71 175.979 175.979 178.755 -2.776 19852 5403 1 6 . 1 1 71 71 LYS CA C 71 48.722 48.722 58.493 -9.771 19852 5404 1 6 . 1 1 71 71 LYS CB C 71 37.010 37.010 32.576 4.434 19852 5405 1 6 . 1 1 71 71 LYS H H 71 8.712 8.712 7.734 0.978 19852 5406 1 6 . 1 1 72 72 PHE N N 72 114.959 114.959 118.397 -3.438 19852 5407 1 6 . 1 1 72 72 PHE C C 72 175.686 175.686 175.925 -0.239 19852 5408 1 6 . 1 1 72 72 PHE CA C 72 56.336 56.336 59.130 -2.794 19852 5409 1 6 . 1 1 72 72 PHE CB C 72 36.424 36.424 40.274 -3.850 19852 5410 1 6 . 1 1 72 72 PHE H H 72 7.965 7.965 7.697 0.268 19852 5411 1 6 . 1 1 73 73 GLY N N 73 117.084 117.084 104.861 12.223 19852 5412 1 6 . 1 1 73 73 GLY C C 73 168.068 168.068 172.464 -4.396 19852 5413 1 6 . 1 1 73 73 GLY CA C 73 42.281 42.281 44.755 -2.474 19852 5414 1 6 . 1 1 73 73 GLY H H 73 7.609 7.609 8.048 -0.439 19852 5415 1 6 . 1 1 74 74 GLY N N 74 120.537 120.537 106.324 14.213 19852 5416 1 6 . 1 1 74 74 GLY C C 74 174.514 174.514 174.375 0.139 19852 5417 1 6 . 1 1 74 74 GLY CA C 74 44.037 44.037 44.493 -0.456 19852 5418 1 6 . 1 1 74 74 GLY H H 74 9.326 9.326 8.323 1.003 19852 5419 1 6 . 1 1 75 75 LEU N N 75 127.177 127.177 121.208 5.969 19852 5420 1 6 . 1 1 75 75 LEU C C 75 178.617 178.617 177.252 1.365 19852 5421 1 6 . 1 1 75 75 LEU CA C 75 53.407 53.407 54.063 -0.656 19852 5422 1 6 . 1 1 75 75 LEU CB C 75 42.281 42.281 43.525 -1.244 19852 5423 1 6 . 1 1 75 75 LEU H H 75 7.628 7.628 8.796 -1.168 19852 5424 1 6 . 1 1 76 76 ARG N N 76 116.486 116.486 122.027 -5.541 19852 5425 1 6 . 1 1 76 76 ARG C C 76 176.859 176.859 177.217 -0.358 19852 5426 1 6 . 1 1 76 76 ARG CA C 76 59.264 59.264 56.413 2.851 19852 5427 1 6 . 1 1 76 76 ARG CB C 76 31.154 31.154 31.206 -0.052 19852 5428 1 6 . 1 1 76 76 ARG H H 76 7.143 7.143 8.560 -1.417 19852 5429 1 6 . 1 1 77 77 ASP N N 77 129.236 129.236 122.285 6.951 19852 5430 1 6 . 1 1 77 77 ASP C C 77 177.152 177.152 178.562 -1.410 19852 5431 1 6 . 1 1 77 77 ASP CA C 77 52.822 52.822 57.851 -5.029 19852 5432 1 6 . 1 1 77 77 ASP CB C 77 41.695 41.695 40.571 1.124 19852 5433 1 6 . 1 1 77 77 ASP H H 77 8.947 8.947 8.947 0.000 19852 5434 1 6 . 1 1 78 78 GLY N N 78 127.244 127.244 107.333 19.911 19852 5435 1 6 . 1 1 78 78 GLY C C 78 173.928 173.928 175.274 -1.346 19852 5436 1 6 . 1 1 78 78 GLY CA C 78 44.623 44.623 47.047 -2.424 19852 5437 1 6 . 1 1 78 78 GLY H H 78 8.219 8.219 8.599 -0.380 19852 5438 1 6 . 1 1 79 79 TYR N N 79 120.537 120.537 121.407 -0.870 19852 5439 1 6 . 1 1 79 79 TYR C C 79 176.273 176.273 176.781 -0.508 19852 5440 1 6 . 1 1 79 79 TYR CA C 79 58.678 58.678 60.963 -2.285 19852 5441 1 6 . 1 1 79 79 TYR CB C 79 40.524 40.524 38.732 1.792 19852 5442 1 6 . 1 1 79 79 TYR H H 79 8.563 8.563 7.575 0.988 19852 5443 1 6 . 1 1 80 80 TYR N N 80 115.822 115.822 115.797 0.025 19852 5444 1 6 . 1 1 80 80 TYR C C 80 175.979 175.979 176.485 -0.506 19852 5445 1 6 . 1 1 80 80 TYR CA C 80 58.092 58.092 60.865 -2.773 19852 5446 1 6 . 1 1 80 80 TYR CB C 80 38.181 38.181 38.469 -0.288 19852 5447 1 6 . 1 1 80 80 TYR H H 80 7.194 7.194 7.409 -0.215 19852 5448 1 6 . 1 1 81 81 ILE N N 81 120.072 120.072 118.453 1.619 19852 5449 1 6 . 1 1 81 81 ILE C C 81 177.445 177.445 175.942 1.503 19852 5450 1 6 . 1 1 81 81 ILE CA C 81 67.462 67.462 63.691 3.771 19852 5451 1 6 . 1 1 81 81 ILE CB C 81 41.109 41.109 37.908 3.201 19852 5452 1 6 . 1 1 81 81 ILE H H 81 8.837 8.837 8.006 0.831 19852 5453 1 6 . 1 1 82 82 GLN N N 82 109.580 109.580 118.616 -9.036 19852 5454 1 6 . 1 1 82 82 GLN C C 82 177.152 177.152 174.471 2.681 19852 5455 1 6 . 1 1 82 82 GLN CA C 82 56.336 56.336 56.361 -0.025 19852 5456 1 6 . 1 1 82 82 GLN CB C 82 24.126 24.126 26.204 -2.078 19852 5457 1 6 . 1 1 82 82 GLN H H 82 8.493 8.493 8.734 -0.241 19852 5458 1 6 . 1 1 83 83 ALA N N 83 109.713 109.713 120.782 -11.069 19852 5459 1 6 . 1 1 83 83 ALA C C 83 175.979 175.979 176.960 -0.981 19852 5460 1 6 . 1 1 83 83 ALA CA C 83 54.579 54.579 52.686 1.893 19852 5461 1 6 . 1 1 83 83 ALA CB C 83 16.513 16.513 19.271 -2.758 19852 5462 1 6 . 1 1 83 83 ALA H H 83 6.306 6.306 7.361 -1.055 19852 5463 1 6 . 1 1 84 84 GLN N N 84 131.380 131.380 123.215 8.165 19852 5464 1 6 . 1 1 84 84 GLN C C 84 175.686 175.686 176.130 -0.444 19852 5465 1 6 . 1 1 84 84 GLN CA C 84 51.065 51.065 57.026 -5.961 19852 5466 1 6 . 1 1 84 84 GLN CB C 84 32.325 32.325 31.215 1.110 19852 5467 1 6 . 1 1 84 84 GLN H H 84 11.169 11.169 8.492 2.677 19852 5468 1 6 . 1 1 85 85 CYS N N 85 124.322 124.322 112.593 11.729 19852 5469 1 6 . 1 1 85 85 CYS C C 85 173.049 173.049 172.733 0.316 19852 5470 1 6 . 1 1 85 85 CYS CA C 85 57.507 57.507 55.875 1.632 19852 5471 1 6 . 1 1 85 85 CYS CB C 85 35.253 35.253 31.873 3.380 19852 5472 1 6 . 1 1 85 85 CYS H H 85 8.602 8.602 8.118 0.484 19852 5473 1 6 . 1 1 86 86 ALA N N 86 114.295 114.295 122.225 -7.930 19852 5474 1 6 . 1 1 86 86 ALA CA C 86 57.507 57.507 50.757 6.750 19852 5475 1 6 . 1 1 86 86 ALA CB C 86 21.784 21.784 22.690 -0.906 19852 5476 1 6 . 1 1 86 86 ALA H H 86 6.897 6.897 8.867 -1.970 19852 5477 1 6 . 1 1 87 87 ILE N N 87 120.670 120.670 121.122 -0.452 19852 5478 1 6 . 1 1 87 87 ILE C C 87 173.928 173.928 174.701 -0.773 19852 5479 1 6 . 1 1 87 87 ILE CA C 87 61.020 61.020 59.880 1.140 19852 5480 1 6 . 1 1 87 87 ILE CB C 87 39.938 39.938 41.136 -1.198 19852 5481 1 6 . 1 1 87 87 ILE H H 87 8.282 8.282 8.622 -0.340 19852 5482 1 6 . 1 1 88 88 ILE N N 88 120.205 120.205 127.219 -7.014 19852 5483 1 6 . 1 1 88 88 ILE C C 88 173.635 173.635 175.120 -1.485 19852 5484 1 6 . 1 1 88 88 ILE CA C 88 64.534 64.534 60.018 4.516 19852 5485 1 6 . 1 1 88 88 ILE CB C 88 37.596 37.596 40.084 -2.488 19852 5486 1 6 . 1 1 88 88 ILE H H 88 5.528 5.528 8.942 -3.414 19852 5487 1 6 . 1 1 89 89 MET N N 89 119.209 119.209 126.301 -7.092 19852 5488 1 6 . 1 1 89 89 MET C C 89 176.566 176.566 175.487 1.079 19852 5489 1 6 . 1 1 89 89 MET CA C 89 56.921 56.921 54.251 2.670 19852 5490 1 6 . 1 1 89 89 MET CB C 89 34.668 34.668 34.903 -0.235 19852 5491 1 6 . 1 1 89 89 MET H H 89 8.164 8.164 8.873 -0.709 19852 5492 1 6 . 1 1 90 90 PHE N N 90 121.134 121.134 118.406 2.728 19852 5493 1 6 . 1 1 90 90 PHE C C 90 175.393 175.393 173.344 2.049 19852 5494 1 6 . 1 1 90 90 PHE CA C 90 60.435 60.435 55.455 4.980 19852 5495 1 6 . 1 1 90 90 PHE CB C 90 38.767 38.767 42.416 -3.649 19852 5496 1 6 . 1 1 90 90 PHE H H 90 9.334 9.334 8.843 0.491 19852 5497 1 6 . 1 1 91 91 ASP N N 91 125.185 125.185 121.214 3.971 19852 5498 1 6 . 1 1 91 91 ASP C C 91 176.566 176.566 177.910 -1.344 19852 5499 1 6 . 1 1 91 91 ASP CA C 91 52.822 52.822 52.249 0.573 19852 5500 1 6 . 1 1 91 91 ASP CB C 91 39.938 39.938 42.835 -2.897 19852 5501 1 6 . 1 1 91 91 ASP H H 91 9.056 9.056 8.819 0.237 19852 5502 1 6 . 1 1 92 92 VAL N N 92 115.158 115.158 123.518 -8.360 19852 5503 1 6 . 1 1 92 92 VAL C C 92 173.342 173.342 176.731 -3.389 19852 5504 1 6 . 1 1 92 92 VAL CA C 92 64.534 64.534 65.103 -0.569 19852 5505 1 6 . 1 1 92 92 VAL CB C 92 37.596 37.596 31.388 6.208 19852 5506 1 6 . 1 1 92 92 VAL H H 92 7.738 7.738 8.555 -0.817 19852 5507 1 6 . 1 1 93 93 THR N N 93 112.302 112.302 110.509 1.793 19852 5508 1 6 . 1 1 93 93 THR C C 93 177.152 177.152 174.242 2.910 19852 5509 1 6 . 1 1 93 93 THR CA C 93 64.534 64.534 63.372 1.162 19852 5510 1 6 . 1 1 93 93 THR CB C 93 72.147 72.147 69.079 3.068 19852 5511 1 6 . 1 1 93 93 THR H H 93 7.269 7.269 8.255 -0.986 19852 5512 1 6 . 1 1 94 94 SER N N 94 122.263 122.263 115.641 6.622 19852 5513 1 6 . 1 1 94 94 SER C C 94 163.965 163.965 175.203 -11.238 19852 5514 1 6 . 1 1 94 94 SER CA C 94 59.849 59.849 55.315 4.534 19852 5515 1 6 . 1 1 94 94 SER CB C 94 62.192 62.192 64.377 -2.185 19852 5516 1 6 . 1 1 94 94 SER H H 94 7.628 7.628 7.775 -0.147 19852 5517 1 6 . 1 1 95 95 ARG N N 95 113.099 113.099 128.027 -14.928 19852 5518 1 6 . 1 1 95 95 ARG C C 95 176.273 176.273 177.963 -1.690 19852 5519 1 6 . 1 1 95 95 ARG CA C 95 53.407 53.407 59.505 -6.098 19852 5520 1 6 . 1 1 95 95 ARG CB C 95 31.154 31.154 30.127 1.027 19852 5521 1 6 . 1 1 95 95 ARG H H 95 8.102 8.102 9.014 -0.912 19852 5522 1 6 . 1 1 96 96 VAL N N 96 124.787 124.787 118.960 5.827 19852 5523 1 6 . 1 1 96 96 VAL C C 96 178.031 178.031 177.639 0.392 19852 5524 1 6 . 1 1 96 96 VAL CA C 96 68.634 68.634 66.421 2.213 19852 5525 1 6 . 1 1 96 96 VAL CB C 96 24.126 24.126 31.356 -7.230 19852 5526 1 6 . 1 1 96 96 VAL H H 96 9.146 9.146 8.064 1.082 19852 5527 1 6 . 1 1 97 97 THR N N 97 111.970 111.970 116.015 -4.045 19852 5528 1 6 . 1 1 97 97 THR C C 97 178.031 178.031 176.036 1.995 19852 5529 1 6 . 1 1 97 97 THR CA C 97 63.949 63.949 66.448 -2.499 19852 5530 1 6 . 1 1 97 97 THR CB C 97 70.390 70.390 68.905 1.485 19852 5531 1 6 . 1 1 97 97 THR H H 97 7.984 7.984 7.605 0.379 19852 5532 1 6 . 1 1 98 98 TYR N N 98 113.232 113.232 121.204 -7.972 19852 5533 1 6 . 1 1 98 98 TYR C C 98 176.273 176.273 177.615 -1.342 19852 5534 1 6 . 1 1 98 98 TYR H H 98 7.605 7.605 7.582 0.023 19852 5535 1 6 . 1 1 99 99 LYS N N 99 121.998 121.998 118.766 3.232 19852 5536 1 6 . 1 1 99 99 LYS C C 99 174.221 174.221 178.308 -4.087 19852 5537 1 6 . 1 1 99 99 LYS CA C 99 59.264 59.264 59.304 -0.040 19852 5538 1 6 . 1 1 99 99 LYS CB C 99 34.668 34.668 32.038 2.630 19852 5539 1 6 . 1 1 99 99 LYS H H 99 8.129 8.129 7.889 0.240 19852 5540 1 6 . 1 1 100 100 ASN N N 100 111.970 111.970 115.985 -4.015 19852 5541 1 6 . 1 1 100 100 ASN C C 100 175.979 175.979 176.578 -0.599 19852 5542 1 6 . 1 1 100 100 ASN CA C 100 53.407 53.407 54.416 -1.010 19852 5543 1 6 . 1 1 100 100 ASN CB C 100 37.596 37.596 38.295 -0.699 19852 5544 1 6 . 1 1 100 100 ASN H H 100 5.778 5.778 7.831 -2.053 19852 5545 1 6 . 1 1 101 101 VAL N N 101 118.877 118.877 121.880 -3.003 19852 5546 1 6 . 1 1 101 101 VAL C C 101 173.635 173.635 175.085 -1.450 19852 5547 1 6 . 1 1 101 101 VAL CA C 101 62.777 62.777 68.386 -5.609 19852 5548 1 6 . 1 1 101 101 VAL CB C 101 27.054 27.054 29.408 -2.354 19852 5549 1 6 . 1 1 101 101 VAL H H 101 7.370 7.370 7.415 -0.045 19852 5550 1 6 . 1 1 102 102 PRO C C 102 176.566 176.566 178.393 -1.827 19852 5551 1 6 . 1 1 102 102 PRO CA C 102 62.500 62.500 66.381 -3.881 19852 5552 1 6 . 1 1 102 102 PRO CB C 102 30.853 30.853 30.836 0.017 19852 5553 1 6 . 1 1 103 103 ASN N N 103 122.728 122.728 116.704 6.024 19852 5554 1 6 . 1 1 103 103 ASN C C 103 175.100 175.100 177.579 -2.479 19852 5555 1 6 . 1 1 103 103 ASN CA C 103 54.579 54.579 55.970 -1.391 19852 5556 1 6 . 1 1 103 103 ASN CB C 103 38.767 38.767 37.623 1.144 19852 5557 1 6 . 1 1 103 103 ASN H H 103 7.879 7.879 7.526 0.353 19852 5558 1 6 . 1 1 104 104 TRP N N 104 132.158 132.158 121.068 11.090 19852 5559 1 6 . 1 1 104 104 TRP C C 104 176.273 176.273 179.084 -2.811 19852 5560 1 6 . 1 1 104 104 TRP CA C 104 60.435 60.435 60.859 -0.424 19852 5561 1 6 . 1 1 104 104 TRP CB C 104 29.983 29.983 29.389 0.594 19852 5562 1 6 . 1 1 104 104 TRP H H 104 9.541 9.541 7.995 1.546 19852 5563 1 6 . 1 1 105 105 HIS N N 105 120.869 120.869 118.774 2.095 19852 5564 1 6 . 1 1 105 105 HIS C C 105 177.738 177.738 177.618 0.120 19852 5565 1 6 . 1 1 105 105 HIS H H 105 6.971 6.971 8.675 -1.704 19852 5566 1 6 . 1 1 106 106 ARG N N 106 126.314 126.314 118.931 7.383 19852 5567 1 6 . 1 1 106 106 ARG C C 106 176.566 176.566 178.801 -2.235 19852 5568 1 6 . 1 1 106 106 ARG CA C 106 62.777 62.777 60.004 2.773 19852 5569 1 6 . 1 1 106 106 ARG CB C 106 29.397 29.397 30.044 -0.647 19852 5570 1 6 . 1 1 106 106 ARG H H 106 7.507 7.507 8.338 -0.832 19852 5571 1 6 . 1 1 107 107 ASP N N 107 119.076 119.076 120.277 -1.201 19852 5572 1 6 . 1 1 107 107 ASP C C 107 176.566 176.566 178.370 -1.804 19852 5573 1 6 . 1 1 107 107 ASP CA C 107 55.164 55.164 57.069 -1.905 19852 5574 1 6 . 1 1 107 107 ASP CB C 107 41.695 41.695 40.437 1.258 19852 5575 1 6 . 1 1 107 107 ASP H H 107 9.076 9.076 7.959 1.117 19852 5576 1 6 . 1 1 108 108 LEU N N 108 113.299 113.299 121.030 -7.731 19852 5577 1 6 . 1 1 108 108 LEU C C 108 176.273 176.273 178.290 -2.017 19852 5578 1 6 . 1 1 108 108 LEU CA C 108 59.264 59.264 57.762 1.502 19852 5579 1 6 . 1 1 108 108 LEU CB C 108 48.722 48.722 41.907 6.815 19852 5580 1 6 . 1 1 108 108 LEU H H 108 6.725 6.725 7.925 -1.200 19852 5581 1 6 . 1 1 109 109 VAL N N 109 121.267 121.267 119.054 2.213 19852 5582 1 6 . 1 1 109 109 VAL C C 109 175.393 175.393 177.836 -2.443 19852 5583 1 6 . 1 1 109 109 VAL CA C 109 63.949 63.949 66.105 -2.156 19852 5584 1 6 . 1 1 109 109 VAL CB C 109 32.911 32.911 31.280 1.631 19852 5585 1 6 . 1 1 109 109 VAL H H 109 8.763 8.763 7.998 0.765 19852 5586 1 6 . 1 1 110 110 ARG N N 110 112.900 112.900 119.160 -6.260 19852 5587 1 6 . 1 1 110 110 ARG C C 110 176.273 176.273 177.933 -1.660 19852 5588 1 6 . 1 1 110 110 ARG CA C 110 57.507 57.507 58.832 -1.325 19852 5589 1 6 . 1 1 110 110 ARG CB C 110 30.568 30.568 30.276 0.292 19852 5590 1 6 . 1 1 110 110 ARG H H 110 7.241 7.241 7.695 -0.454 19852 5591 1 6 . 1 1 111 111 VAL N N 111 115.556 115.556 116.891 -1.335 19852 5592 1 6 . 1 1 111 111 VAL C C 111 177.445 177.445 176.406 1.039 19852 5593 1 6 . 1 1 111 111 VAL CA C 111 59.849 59.849 65.707 -5.858 19852 5594 1 6 . 1 1 111 111 VAL CB C 111 32.911 32.911 32.493 0.418 19852 5595 1 6 . 1 1 111 111 VAL H H 111 7.566 7.566 7.433 0.133 19852 5596 1 6 . 1 1 112 112 CYS N N 112 114.295 114.295 119.760 -5.465 19852 5597 1 6 . 1 1 112 112 CYS C C 112 169.826 169.826 173.348 -3.522 19852 5598 1 6 . 1 1 112 112 CYS CA C 112 57.507 57.507 57.879 -0.372 19852 5599 1 6 . 1 1 112 112 CYS CB C 112 35.839 35.839 29.163 6.676 19852 5600 1 6 . 1 1 112 112 CYS H H 112 7.425 7.425 8.169 -0.744 19852 5601 1 6 . 1 1 113 113 GLU N N 113 116.486 116.486 125.957 -9.471 19852 5602 1 6 . 1 1 113 113 GLU C C 113 176.566 176.566 175.602 0.964 19852 5603 1 6 . 1 1 113 113 GLU CA C 113 69.219 69.219 56.582 12.637 19852 5604 1 6 . 1 1 113 113 GLU CB C 113 30.568 30.568 30.497 0.071 19852 5605 1 6 . 1 1 113 113 GLU H H 113 7.241 7.241 8.681 -1.440 19852 5606 1 6 . 1 1 114 114 ASN N N 114 129.302 129.302 116.239 13.063 19852 5607 1 6 . 1 1 114 114 ASN C C 114 175.100 175.100 174.198 0.902 19852 5608 1 6 . 1 1 114 114 ASN CA C 114 52.236 52.236 54.044 -1.808 19852 5609 1 6 . 1 1 114 114 ASN CB C 114 39.938 39.938 37.526 2.413 19852 5610 1 6 . 1 1 114 114 ASN H H 114 8.919 8.919 8.589 0.330 19852 5611 1 6 . 1 1 115 115 ILE N N 115 110.443 110.443 120.963 -10.520 19852 5612 1 6 . 1 1 115 115 ILE C C 115 175.100 175.100 174.130 0.970 19852 5613 1 6 . 1 1 115 115 ILE CA C 115 65.705 65.705 56.922 8.783 19852 5614 1 6 . 1 1 115 115 ILE CB C 115 39.353 39.353 38.309 1.044 19852 5615 1 6 . 1 1 115 115 ILE H H 115 9.287 9.287 8.091 1.196 19852 5616 1 6 . 1 1 116 116 PRO C C 116 175.979 175.979 175.624 0.355 19852 5617 1 6 . 1 1 116 116 PRO CA C 116 63.086 63.086 63.148 -0.062 19852 5618 1 6 . 1 1 116 116 PRO CB C 116 29.681 29.681 32.169 -2.488 19852 5619 1 6 . 1 1 117 117 ILE N N 117 123.591 123.591 123.934 -0.343 19852 5620 1 6 . 1 1 117 117 ILE C C 117 174.807 174.807 175.086 -0.279 19852 5621 1 6 . 1 1 117 117 ILE CA C 117 66.291 66.291 60.196 6.095 19852 5622 1 6 . 1 1 117 117 ILE CB C 117 38.767 38.767 42.320 -3.553 19852 5623 1 6 . 1 1 117 117 ILE H H 117 7.781 7.781 8.504 -0.723 19852 5624 1 6 . 1 1 118 118 VAL N N 118 119.009 119.009 125.321 -6.312 19852 5625 1 6 . 1 1 118 118 VAL C C 118 178.324 178.324 174.612 3.712 19852 5626 1 6 . 1 1 118 118 VAL CA C 118 62.777 62.777 60.745 2.032 19852 5627 1 6 . 1 1 118 118 VAL CB C 118 31.154 31.154 33.969 -2.815 19852 5628 1 6 . 1 1 118 118 VAL H H 118 8.767 8.767 8.649 0.118 19852 5629 1 6 . 1 1 119 119 LEU N N 119 119.408 119.408 126.489 -7.081 19852 5630 1 6 . 1 1 119 119 LEU C C 119 178.031 178.031 176.178 1.853 19852 5631 1 6 . 1 1 119 119 LEU CA C 119 42.866 42.866 53.477 -10.611 19852 5632 1 6 . 1 1 119 119 LEU CB C 119 38.767 38.767 43.941 -5.173 19852 5633 1 6 . 1 1 119 119 LEU H H 119 7.734 7.734 8.991 -1.257 19852 5634 1 6 . 1 1 120 120 CYS N N 120 113.232 113.232 122.155 -8.923 19852 5635 1 6 . 1 1 120 120 CYS C C 120 178.031 178.031 174.336 3.695 19852 5636 1 6 . 1 1 120 120 CYS H H 120 8.317 8.317 9.062 -0.745 19852 5637 1 6 . 1 1 121 121 GLY N N 121 117.349 117.349 112.865 4.484 19852 5638 1 6 . 1 1 121 121 GLY C C 121 176.851 176.851 172.642 4.209 19852 5639 1 6 . 1 1 121 121 GLY CA C 121 41.109 41.109 43.631 -2.522 19852 5640 1 6 . 1 1 121 121 GLY H H 121 7.515 7.515 8.590 -1.075 19852 5641 1 6 . 1 1 122 122 ASN N N 122 125.318 125.318 124.936 0.382 19852 5642 1 6 . 1 1 122 122 ASN C C 122 175.686 175.686 175.621 0.065 19852 5643 1 6 . 1 1 122 122 ASN CA C 122 50.479 50.479 51.726 -1.247 19852 5644 1 6 . 1 1 122 122 ASN CB C 122 39.353 39.353 40.882 -1.528 19852 5645 1 6 . 1 1 122 122 ASN H H 122 9.162 9.162 8.649 0.513 19852 5646 1 6 . 1 1 123 123 LYS N N 123 124.920 124.920 116.732 8.188 19852 5647 1 6 . 1 1 123 123 LYS C C 123 176.566 176.566 177.388 -0.822 19852 5648 1 6 . 1 1 123 123 LYS CA C 123 70.976 70.976 57.829 13.147 19852 5649 1 6 . 1 1 123 123 LYS CB C 123 35.253 35.253 30.075 5.178 19852 5650 1 6 . 1 1 123 123 LYS H H 123 8.086 8.086 8.662 -0.576 19852 5651 1 6 . 1 1 124 124 VAL N N 124 125.517 125.517 112.780 12.737 19852 5652 1 6 . 1 1 124 124 VAL C C 124 177.738 177.738 176.616 1.122 19852 5653 1 6 . 1 1 124 124 VAL CA C 124 62.777 62.777 64.118 -1.341 19852 5654 1 6 . 1 1 124 124 VAL CB C 124 33.496 33.496 31.326 2.170 19852 5655 1 6 . 1 1 124 124 VAL H H 124 9.483 9.483 7.580 1.903 19852 5656 1 6 . 1 1 125 125 ASP N N 125 119.607 119.607 121.287 -1.680 19852 5657 1 6 . 1 1 125 125 ASP C C 125 176.566 176.566 176.701 -0.135 19852 5658 1 6 . 1 1 125 125 ASP CA C 125 55.750 55.750 57.011 -1.261 19852 5659 1 6 . 1 1 125 125 ASP CB C 125 40.524 40.524 40.702 -0.178 19852 5660 1 6 . 1 1 125 125 ASP H H 125 7.875 7.875 7.769 0.106 19852 5661 1 6 . 1 1 126 126 ILE N N 126 116.088 116.088 120.566 -4.478 19852 5662 1 6 . 1 1 126 126 ILE C C 126 177.152 177.152 176.864 0.288 19852 5663 1 6 . 1 1 126 126 ILE CA C 126 66.291 66.291 62.363 3.928 19852 5664 1 6 . 1 1 126 126 ILE CB C 126 39.353 39.353 38.335 1.018 19852 5665 1 6 . 1 1 126 126 ILE H H 126 7.511 7.511 7.460 0.051 19852 5666 1 6 . 1 1 127 127 LYS N N 127 117.681 117.681 125.088 -7.407 19852 5667 1 6 . 1 1 127 127 LYS C C 127 177.152 177.152 176.446 0.706 19852 5668 1 6 . 1 1 127 127 LYS CA C 127 57.507 57.507 58.252 -0.745 19852 5669 1 6 . 1 1 127 127 LYS CB C 127 31.154 31.154 32.467 -1.313 19852 5670 1 6 . 1 1 127 127 LYS H H 127 8.059 8.059 8.591 -0.532 19852 5671 1 6 . 1 1 128 128 ASP N N 128 118.279 118.279 119.851 -1.572 19852 5672 1 6 . 1 1 128 128 ASP C C 128 176.566 176.566 175.050 1.516 19852 5673 1 6 . 1 1 128 128 ASP CA C 128 53.407 53.407 54.126 -0.719 19852 5674 1 6 . 1 1 128 128 ASP CB C 128 40.524 40.524 40.133 0.391 19852 5675 1 6 . 1 1 128 128 ASP H H 128 7.241 7.241 8.308 -1.067 19852 5676 1 6 . 1 1 129 129 ARG N N 129 118.943 118.943 124.766 -5.823 19852 5677 1 6 . 1 1 129 129 ARG C C 129 177.738 177.738 175.387 2.351 19852 5678 1 6 . 1 1 129 129 ARG CA C 129 45.794 45.794 56.230 -10.436 19852 5679 1 6 . 1 1 129 129 ARG CB C 129 31.154 31.154 30.387 0.766 19852 5680 1 6 . 1 1 129 129 ARG H H 129 8.423 8.423 7.993 0.430 19852 5681 1 6 . 1 1 130 130 LYS N N 130 109.381 109.381 124.691 -15.310 19852 5682 1 6 . 1 1 130 130 LYS C C 130 176.566 176.566 176.775 -0.209 19852 5683 1 6 . 1 1 130 130 LYS CA C 130 55.164 55.164 57.645 -2.482 19852 5684 1 6 . 1 1 130 130 LYS CB C 130 36.424 36.424 33.581 2.843 19852 5685 1 6 . 1 1 130 130 LYS H H 130 7.296 7.296 8.369 -1.073 19852 5686 1 6 . 1 1 131 131 VAL N N 131 110.377 110.377 121.035 -10.658 19852 5687 1 6 . 1 1 131 131 VAL C C 131 178.617 178.617 174.782 3.835 19852 5688 1 6 . 1 1 131 131 VAL CA C 131 65.705 65.705 62.111 3.595 19852 5689 1 6 . 1 1 131 131 VAL CB C 131 35.839 35.839 31.438 4.401 19852 5690 1 6 . 1 1 131 131 VAL H H 131 9.283 9.283 8.222 1.061 19852 5691 1 6 . 1 1 132 132 LYS N N 132 110.310 110.310 127.335 -17.025 19852 5692 1 6 . 1 1 132 132 LYS C C 132 176.273 176.273 177.679 -1.406 19852 5693 1 6 . 1 1 132 132 LYS CA C 132 59.849 59.849 54.407 5.442 19852 5694 1 6 . 1 1 132 132 LYS CB C 132 35.253 35.253 34.546 0.707 19852 5695 1 6 . 1 1 132 132 LYS H H 132 9.709 9.709 7.559 2.150 19852 5696 1 6 . 1 1 133 133 ALA N N 133 134.349 134.349 124.243 10.106 19852 5697 1 6 . 1 1 133 133 ALA CA C 133 51.065 51.065 55.353 -4.288 19852 5698 1 6 . 1 1 133 133 ALA CB C 133 12.999 12.999 18.123 -5.124 19852 5699 1 6 . 1 1 133 133 ALA H H 133 6.322 6.322 8.747 -2.425 19852 5700 1 6 . 1 1 134 134 LYS N N 134 117.615 117.615 117.419 0.196 19852 5701 1 6 . 1 1 134 134 LYS C C 134 176.859 176.859 178.907 -2.048 19852 5702 1 6 . 1 1 134 134 LYS CA C 134 55.750 55.750 59.403 -3.653 19852 5703 1 6 . 1 1 134 134 LYS CB C 134 54.579 54.579 32.242 22.337 19852 5704 1 6 . 1 1 134 134 LYS H H 134 6.549 6.549 8.638 -2.089 19852 5705 1 6 . 1 1 135 135 SER N N 135 109.314 109.314 112.187 -2.873 19852 5706 1 6 . 1 1 135 135 SER C C 135 173.635 173.635 174.422 -0.787 19852 5707 1 6 . 1 1 135 135 SER CA C 135 56.336 56.336 58.117 -1.781 19852 5708 1 6 . 1 1 135 135 SER CB C 135 63.949 63.949 64.188 -0.239 19852 5709 1 6 . 1 1 135 135 SER H H 135 7.840 7.840 7.614 0.226 19852 5710 1 6 . 1 1 136 136 ILE N N 136 124.123 124.123 124.009 0.114 19852 5711 1 6 . 1 1 136 136 ILE C C 136 175.100 175.100 174.333 0.767 19852 5712 1 6 . 1 1 136 136 ILE CA C 136 68.634 68.634 61.295 7.339 19852 5713 1 6 . 1 1 136 136 ILE CB C 136 43.452 43.452 36.958 6.494 19852 5714 1 6 . 1 1 136 136 ILE H H 136 8.098 8.098 7.360 0.738 19852 5715 1 6 . 1 1 137 137 VAL N N 137 113.232 113.232 127.433 -14.201 19852 5716 1 6 . 1 1 137 137 VAL C C 137 176.859 176.859 176.727 0.132 19852 5717 1 6 . 1 1 137 137 VAL CA C 137 64.534 64.534 62.556 1.978 19852 5718 1 6 . 1 1 137 137 VAL CB C 137 34.082 34.082 32.220 1.862 19852 5719 1 6 . 1 1 137 137 VAL H H 137 7.711 7.711 8.237 -0.526 19852 5720 1 6 . 1 1 138 138 PHE N N 138 118.279 118.279 121.893 -3.614 19852 5721 1 6 . 1 1 138 138 PHE C C 138 175.393 175.393 176.218 -0.825 19852 5722 1 6 . 1 1 138 138 PHE CA C 138 58.092 58.092 61.713 -3.621 19852 5723 1 6 . 1 1 138 138 PHE CB C 138 39.353 39.353 38.882 0.471 19852 5724 1 6 . 1 1 138 138 PHE H H 138 8.317 8.317 7.870 0.447 19852 5725 1 6 . 1 1 139 139 HIS N N 139 107.654 107.654 115.890 -8.236 19852 5726 1 6 . 1 1 139 139 HIS C C 139 175.979 175.979 177.785 -1.806 19852 5727 1 6 . 1 1 139 139 HIS CA C 139 53.993 53.993 59.795 -5.802 19852 5728 1 6 . 1 1 139 139 HIS CB C 139 28.811 28.811 29.272 -0.461 19852 5729 1 6 . 1 1 139 139 HIS H H 139 8.016 8.016 7.884 0.132 19852 5730 1 6 . 1 1 140 140 ARG N N 140 117.084 117.084 119.645 -2.561 19852 5731 1 6 . 1 1 140 140 ARG C C 140 176.859 176.859 178.920 -2.061 19852 5732 1 6 . 1 1 140 140 ARG CA C 140 57.507 57.507 59.589 -2.082 19852 5733 1 6 . 1 1 140 140 ARG CB C 140 31.739 31.739 30.192 1.547 19852 5734 1 6 . 1 1 140 140 ARG H H 140 8.763 8.763 7.613 1.150 19852 5735 1 6 . 1 1 141 141 LYS N N 141 115.623 115.623 119.176 -3.553 19852 5736 1 6 . 1 1 141 141 LYS C C 141 173.635 173.635 177.863 -4.228 19852 5737 1 6 . 1 1 141 141 LYS CA C 141 58.092 58.092 58.436 -0.344 19852 5738 1 6 . 1 1 141 141 LYS CB C 141 33.496 33.496 31.755 1.741 19852 5739 1 6 . 1 1 141 141 LYS H H 141 7.449 7.449 7.808 -0.359 19852 5740 1 6 . 1 1 142 142 LYS N N 142 114.162 114.162 114.982 -0.820 19852 5741 1 6 . 1 1 142 142 LYS C C 142 175.979 175.979 175.922 0.057 19852 5742 1 6 . 1 1 142 142 LYS CA C 142 51.065 51.065 54.481 -3.416 19852 5743 1 6 . 1 1 142 142 LYS CB C 142 34.668 34.668 31.997 2.671 19852 5744 1 6 . 1 1 142 142 LYS H H 142 8.982 8.982 7.258 1.724 19852 5745 1 6 . 1 1 143 143 ASN N N 143 112.103 112.103 115.156 -3.053 19852 5746 1 6 . 1 1 143 143 ASN C C 143 175.100 175.100 174.174 0.926 19852 5747 1 6 . 1 1 143 143 ASN CA C 143 53.407 53.407 54.200 -0.792 19852 5748 1 6 . 1 1 143 143 ASN CB C 143 39.938 39.938 36.237 3.701 19852 5749 1 6 . 1 1 143 143 ASN H H 143 7.402 7.402 7.875 -0.473 19852 5750 1 6 . 1 1 144 144 LEU N N 144 118.810 118.810 117.386 1.424 19852 5751 1 6 . 1 1 144 144 LEU CA C 144 53.993 53.993 53.639 0.354 19852 5752 1 6 . 1 1 144 144 LEU CB C 144 42.866 42.866 44.000 -1.134 19852 5753 1 6 . 1 1 144 144 LEU H H 144 7.793 7.793 8.019 -0.226 19852 5754 1 6 . 1 1 145 145 GLN N N 145 119.607 119.607 117.429 2.178 19852 5755 1 6 . 1 1 145 145 GLN C C 145 176.859 176.859 174.142 2.717 19852 5756 1 6 . 1 1 145 145 GLN CA C 145 55.164 55.164 53.142 2.022 19852 5757 1 6 . 1 1 145 145 GLN CB C 145 29.983 29.983 30.709 -0.726 19852 5758 1 6 . 1 1 145 145 GLN H H 145 7.014 7.014 7.443 -0.429 19852 5759 1 6 . 1 1 146 146 TYR N N 146 119.275 119.275 124.214 -4.939 19852 5760 1 6 . 1 1 146 146 TYR C C 146 174.807 174.807 174.222 0.585 19852 5761 1 6 . 1 1 146 146 TYR CA C 146 62.777 62.777 55.922 6.856 19852 5762 1 6 . 1 1 146 146 TYR CB C 146 41.109 41.109 39.889 1.220 19852 5763 1 6 . 1 1 146 146 TYR H H 146 9.350 9.350 8.214 1.136 19852 5764 1 6 . 1 1 147 147 TYR N N 147 123.658 123.658 125.422 -1.764 19852 5765 1 6 . 1 1 147 147 TYR C C 147 177.738 177.738 173.449 4.289 19852 5766 1 6 . 1 1 147 147 TYR CA C 147 58.092 58.092 56.365 1.727 19852 5767 1 6 . 1 1 147 147 TYR CB C 147 39.938 39.938 42.007 -2.069 19852 5768 1 6 . 1 1 147 147 TYR H H 147 8.340 8.340 8.114 0.226 19852 5769 1 6 . 1 1 148 148 ASP N N 148 121.267 121.267 123.515 -2.248 19852 5770 1 6 . 1 1 148 148 ASP C C 148 176.859 176.859 175.473 1.386 19852 5771 1 6 . 1 1 148 148 ASP CA C 148 54.579 54.579 54.728 -0.149 19852 5772 1 6 . 1 1 148 148 ASP CB C 148 41.109 41.109 41.830 -0.721 19852 5773 1 6 . 1 1 148 148 ASP H H 148 8.911 8.911 8.410 0.501 19852 5774 1 6 . 1 1 149 149 ILE N N 149 119.607 119.607 120.130 -0.523 19852 5775 1 6 . 1 1 149 149 ILE C C 149 174.807 174.807 174.334 0.473 19852 5776 1 6 . 1 1 149 149 ILE CA C 149 61.020 61.020 59.357 1.663 19852 5777 1 6 . 1 1 149 149 ILE CB C 149 39.353 39.353 42.456 -3.103 19852 5778 1 6 . 1 1 149 149 ILE H H 149 8.712 8.712 8.661 0.051 19852 5779 1 6 . 1 1 150 150 SER N N 150 117.349 117.349 118.707 -1.358 19852 5780 1 6 . 1 1 150 150 SER C C 150 175.686 175.686 174.409 1.277 19852 5781 1 6 . 1 1 150 150 SER CA C 150 60.435 60.435 56.845 3.590 19852 5782 1 6 . 1 1 150 150 SER CB C 150 62.192 62.192 65.642 -3.450 19852 5783 1 6 . 1 1 150 150 SER H H 150 8.454 8.454 8.560 -0.106 19852 5784 1 6 . 1 1 151 151 ALA N N 151 131.162 131.162 130.364 0.798 19852 5785 1 6 . 1 1 151 151 ALA C C 151 160.742 160.742 179.465 -18.723 19852 5786 1 6 . 1 1 151 151 ALA CA C 151 53.993 53.993 55.725 -1.732 19852 5787 1 6 . 1 1 151 151 ALA CB C 151 22.369 22.369 18.884 3.485 19852 5788 1 6 . 1 1 151 151 ALA H H 151 10.640 10.640 9.242 1.398 19852 5789 1 6 . 1 1 152 152 LYS N N 152 121.400 121.400 118.420 2.980 19852 5790 1 6 . 1 1 152 152 LYS C C 152 174.221 174.221 178.037 -3.816 19852 5791 1 6 . 1 1 152 152 LYS CA C 152 59.849 59.849 59.567 0.282 19852 5792 1 6 . 1 1 152 152 LYS CB C 152 34.668 34.668 32.332 2.336 19852 5793 1 6 . 1 1 152 152 LYS H H 152 9.099 9.099 8.717 0.382 19852 5794 1 6 . 1 1 153 153 SER N N 153 115.212 115.212 111.271 3.941 19852 5795 1 6 . 1 1 153 153 SER C C 153 177.152 177.152 174.378 2.774 19852 5796 1 6 . 1 1 153 153 SER CA C 153 62.192 62.192 58.286 3.906 19852 5797 1 6 . 1 1 153 153 SER CB C 153 66.291 66.291 63.904 2.387 19852 5798 1 6 . 1 1 153 153 SER H H 153 8.935 8.935 7.921 1.014 19852 5799 1 6 . 1 1 154 154 ASN N N 154 119.341 119.341 116.420 2.921 19852 5800 1 6 . 1 1 154 154 ASN C C 154 175.979 175.979 174.009 1.970 19852 5801 1 6 . 1 1 154 154 ASN CA C 154 49.894 49.894 54.674 -4.780 19852 5802 1 6 . 1 1 154 154 ASN CB C 154 39.353 39.353 36.618 2.735 19852 5803 1 6 . 1 1 154 154 ASN H H 154 7.488 7.488 7.865 -0.377 19852 5804 1 6 . 1 1 155 155 TYR N N 155 113.498 113.498 123.288 -9.790 19852 5805 1 6 . 1 1 155 155 TYR C C 155 173.928 173.928 175.206 -1.278 19852 5806 1 6 . 1 1 155 155 TYR CA C 155 56.336 56.336 59.651 -3.315 19852 5807 1 6 . 1 1 155 155 TYR CB C 155 37.596 37.596 39.000 -1.404 19852 5808 1 6 . 1 1 155 155 TYR H H 155 6.486 6.486 8.236 -1.750 19852 5809 1 6 . 1 1 156 156 ASN N N 156 122.396 122.396 122.392 0.004 19852 5810 1 6 . 1 1 156 156 ASN C C 156 175.979 175.979 174.175 1.804 19852 5811 1 6 . 1 1 156 156 ASN CA C 156 51.651 51.651 54.269 -2.618 19852 5812 1 6 . 1 1 156 156 ASN CB C 156 38.767 38.767 35.974 2.793 19852 5813 1 6 . 1 1 156 156 ASN H H 156 8.352 8.352 8.788 -0.436 19852 5814 1 6 . 1 1 157 157 PHE N N 157 123.459 123.459 118.954 4.505 19852 5815 1 6 . 1 1 157 157 PHE C C 157 174.221 174.221 176.646 -2.425 19852 5816 1 6 . 1 1 157 157 PHE CA C 157 57.507 57.507 60.922 -3.416 19852 5817 1 6 . 1 1 157 157 PHE CB C 157 39.353 39.353 39.407 -0.054 19852 5818 1 6 . 1 1 157 157 PHE H H 157 7.429 7.429 7.532 -0.103 19852 5819 1 6 . 1 1 158 158 GLU N N 158 112.568 112.568 118.730 -6.162 19852 5820 1 6 . 1 1 158 158 GLU C C 158 176.566 176.566 178.676 -2.110 19852 5821 1 6 . 1 1 158 158 GLU CA C 158 72.147 72.147 59.468 12.679 19852 5822 1 6 . 1 1 158 158 GLU CB C 158 27.640 27.640 29.014 -1.374 19852 5823 1 6 . 1 1 158 158 GLU H H 158 7.495 7.495 8.994 -1.499 19852 5824 1 6 . 1 1 159 159 LYS N N 159 113.232 113.232 118.573 -5.341 19852 5825 1 6 . 1 1 159 159 LYS C C 159 176.566 176.566 175.687 0.879 19852 5826 1 6 . 1 1 159 159 LYS CA C 159 53.993 53.993 60.783 -6.790 19852 5827 1 6 . 1 1 159 159 LYS CB C 159 33.496 33.496 29.908 3.588 19852 5828 1 6 . 1 1 159 159 LYS H H 159 6.862 6.862 8.189 -1.327 19852 5829 1 6 . 1 1 160 160 PRO C C 160 176.273 176.273 178.468 -2.195 19852 5830 1 6 . 1 1 160 160 PRO CA C 160 64.258 64.258 65.401 -1.143 19852 5831 1 6 . 1 1 160 160 PRO CB C 160 32.318 32.318 31.019 1.299 19852 5832 1 6 . 1 1 161 161 PHE N N 161 120.271 120.271 116.790 3.481 19852 5833 1 6 . 1 1 161 161 PHE C C 161 175.100 175.100 177.818 -2.718 19852 5834 1 6 . 1 1 161 161 PHE CA C 161 56.336 56.336 61.560 -5.224 19852 5835 1 6 . 1 1 161 161 PHE CB C 161 39.353 39.353 37.743 1.610 19852 5836 1 6 . 1 1 161 161 PHE H H 161 8.074 8.074 7.132 0.942 19852 5837 1 6 . 1 1 162 162 LEU N N 162 110.177 110.177 120.206 -10.029 19852 5838 1 6 . 1 1 162 162 LEU C C 162 176.273 176.273 177.979 -1.706 19852 5839 1 6 . 1 1 162 162 LEU CA C 162 55.750 55.750 58.042 -2.292 19852 5840 1 6 . 1 1 162 162 LEU CB C 162 44.037 44.037 41.032 3.005 19852 5841 1 6 . 1 1 162 162 LEU H H 162 7.527 7.527 8.024 -0.497 19852 5842 1 6 . 1 1 163 163 TRP N N 163 123.525 123.525 120.730 2.795 19852 5843 1 6 . 1 1 163 163 TRP C C 163 177.152 177.152 178.048 -0.896 19852 5844 1 6 . 1 1 163 163 TRP CA C 163 61.606 61.606 62.362 -0.756 19852 5845 1 6 . 1 1 163 163 TRP CB C 163 28.811 28.811 29.515 -0.704 19852 5846 1 6 . 1 1 163 163 TRP H H 163 7.476 7.476 7.937 -0.461 19852 5847 1 6 . 1 1 164 164 LEU N N 164 119.740 119.740 119.027 0.713 19852 5848 1 6 . 1 1 164 164 LEU C C 164 175.686 175.686 179.004 -3.318 19852 5849 1 6 . 1 1 164 164 LEU CA C 164 61.020 61.020 57.936 3.084 19852 5850 1 6 . 1 1 164 164 LEU CB C 164 45.794 45.794 41.426 4.368 19852 5851 1 6 . 1 1 164 164 LEU H H 164 9.412 9.412 8.134 1.278 19852 5852 1 6 . 1 1 165 165 ALA N N 165 118.013 118.013 121.529 -3.516 19852 5853 1 6 . 1 1 165 165 ALA C C 165 165.723 165.723 179.637 -13.914 19852 5854 1 6 . 1 1 165 165 ALA CA C 165 52.236 52.236 55.342 -3.106 19852 5855 1 6 . 1 1 165 165 ALA CB C 165 21.784 21.784 18.275 3.509 19852 5856 1 6 . 1 1 165 165 ALA H H 165 7.707 7.707 8.455 -0.748 19852 5857 1 6 . 1 1 166 166 ARG N N 166 122.994 122.994 118.129 4.865 19852 5858 1 6 . 1 1 166 166 ARG C C 166 175.979 175.979 179.085 -3.106 19852 5859 1 6 . 1 1 166 166 ARG CA C 166 49.308 49.308 59.278 -9.970 19852 5860 1 6 . 1 1 166 166 ARG CB C 166 29.397 29.397 30.089 -0.692 19852 5861 1 6 . 1 1 166 166 ARG H H 166 8.692 8.692 8.110 0.582 19852 5862 1 6 . 1 1 167 167 LYS N N 167 112.568 112.568 119.414 -6.846 19852 5863 1 6 . 1 1 167 167 LYS C C 167 176.273 176.273 179.268 -2.995 19852 5864 1 6 . 1 1 167 167 LYS CA C 167 58.092 58.092 58.379 -0.287 19852 5865 1 6 . 1 1 167 167 LYS CB C 167 34.668 34.668 31.569 3.099 19852 5866 1 6 . 1 1 167 167 LYS H H 167 6.819 6.819 7.571 -0.752 19852 5867 1 6 . 1 1 168 168 LEU N N 168 114.959 114.959 119.790 -4.831 19852 5868 1 6 . 1 1 168 168 LEU C C 168 177.738 177.738 179.075 -1.337 19852 5869 1 6 . 1 1 168 168 LEU CA C 168 56.921 56.921 57.466 -0.545 19852 5870 1 6 . 1 1 168 168 LEU CB C 168 41.695 41.695 41.496 0.199 19852 5871 1 6 . 1 1 168 168 LEU H H 168 7.269 7.269 7.928 -0.659 19852 5872 1 6 . 1 1 169 169 ILE N N 169 124.986 124.986 117.340 7.646 19852 5873 1 6 . 1 1 169 169 ILE C C 169 171.877 171.877 177.080 -5.203 19852 5874 1 6 . 1 1 169 169 ILE CA C 169 68.048 68.048 63.262 4.786 19852 5875 1 6 . 1 1 169 169 ILE CB C 169 39.353 39.353 38.632 0.721 19852 5876 1 6 . 1 1 169 169 ILE H H 169 8.915 8.915 8.013 0.902 19852 5877 1 6 . 1 1 170 170 GLY N N 170 113.099 113.099 106.705 6.394 19852 5878 1 6 . 1 1 170 170 GLY C C 170 162.496 162.496 173.886 -11.390 19852 5879 1 6 . 1 1 170 170 GLY CA C 170 44.037 44.037 44.856 -0.819 19852 5880 1 6 . 1 1 170 170 GLY H H 170 6.686 6.686 7.982 -1.296 19852 5881 1 6 . 1 1 171 171 ASP N N 171 113.232 113.232 121.367 -8.135 19852 5882 1 6 . 1 1 171 171 ASP C C 171 178.910 178.910 175.374 3.536 19852 5883 1 6 . 1 1 171 171 ASP CA C 171 50.479 50.479 50.603 -0.124 19852 5884 1 6 . 1 1 171 171 ASP CB C 171 41.109 41.109 42.031 -0.922 19852 5885 1 6 . 1 1 171 171 ASP H H 171 6.815 6.815 7.649 -0.834 19852 5886 1 6 . 1 1 172 172 PRO C C 172 176.566 176.566 176.726 -0.160 19852 5887 1 6 . 1 1 172 172 PRO CA C 172 63.965 63.965 63.740 0.225 19852 5888 1 6 . 1 1 172 172 PRO CB C 172 31.732 31.732 32.262 -0.530 19852 5889 1 6 . 1 1 173 173 ASN N N 173 109.779 109.779 116.489 -6.710 19852 5890 1 6 . 1 1 173 173 ASN C C 173 175.979 175.979 175.103 0.876 19852 5891 1 6 . 1 1 173 173 ASN CA C 173 54.579 54.579 53.264 1.315 19852 5892 1 6 . 1 1 173 173 ASN CB C 173 36.424 36.424 38.950 -2.526 19852 5893 1 6 . 1 1 173 173 ASN H H 173 8.016 8.016 8.434 -0.418 19852 5894 1 6 . 1 1 174 174 LEU N N 174 109.248 109.248 122.739 -13.491 19852 5895 1 6 . 1 1 174 174 LEU C C 174 176.566 176.566 175.380 1.186 19852 5896 1 6 . 1 1 174 174 LEU CA C 174 56.336 56.336 55.862 0.474 19852 5897 1 6 . 1 1 174 174 LEU CB C 174 44.037 44.037 42.751 1.286 19852 5898 1 6 . 1 1 174 174 LEU H H 174 7.871 7.871 7.182 0.689 19852 5899 1 6 . 1 1 175 175 GLU N N 175 125.185 125.185 124.133 1.052 19852 5900 1 6 . 1 1 175 175 GLU C C 175 177.445 177.445 174.600 2.845 19852 5901 1 6 . 1 1 175 175 GLU CA C 175 76.247 76.247 54.106 22.141 19852 5902 1 6 . 1 1 175 175 GLU CB C 175 28.811 28.811 34.108 -5.298 19852 5903 1 6 . 1 1 175 175 GLU H H 175 9.127 9.127 8.201 0.926 19852 5904 1 6 . 1 1 176 176 PHE N N 176 136.873 136.873 121.909 14.964 19852 5905 1 6 . 1 1 176 176 PHE C C 176 178.617 178.617 176.768 1.849 19852 5906 1 6 . 1 1 176 176 PHE CA C 176 59.264 59.264 56.076 3.188 19852 5907 1 6 . 1 1 176 176 PHE CB C 176 44.623 44.623 37.973 6.650 19852 5908 1 6 . 1 1 176 176 PHE H H 176 10.058 10.058 8.655 1.403 19852 5909 1 6 . 1 1 177 177 VAL N N 177 118.877 118.877 126.094 -7.217 19852 5910 1 6 . 1 1 177 177 VAL C C 177 177.445 177.445 175.988 1.457 19852 5911 1 6 . 1 1 177 177 VAL CA C 177 62.777 62.777 64.913 -2.136 19852 5912 1 6 . 1 1 177 177 VAL CB C 177 34.668 34.668 32.190 2.478 19852 5913 1 6 . 1 1 177 177 VAL H H 177 7.789 7.789 8.401 -0.612 19852 5914 1 6 . 1 1 178 178 ALA N N 178 128.904 128.904 120.472 8.432 19852 5915 1 6 . 1 1 178 178 ALA CA C 178 57.507 57.507 50.875 6.632 19852 5916 1 6 . 1 1 178 178 ALA CB C 178 19.441 19.441 21.472 -2.031 19852 5917 1 6 . 1 1 178 178 ALA H H 178 7.566 7.566 7.473 0.093 19852 5918 1 6 . 1 1 179 179 MET N N 179 120.736 120.736 122.440 -1.704 19852 5919 1 6 . 1 1 179 179 MET C C 179 176.859 176.859 174.433 2.426 19852 5920 1 6 . 1 1 179 179 MET CA C 179 56.336 56.336 52.811 3.525 19852 5921 1 6 . 1 1 179 179 MET CB C 179 34.668 34.668 33.507 1.161 19852 5922 1 6 . 1 1 179 179 MET H H 179 7.930 7.930 8.549 -0.619 19852 5923 1 6 . 1 1 180 180 PRO C C 180 177.445 177.445 175.602 1.843 19852 5924 1 6 . 1 1 180 180 PRO CA C 180 64.844 64.844 62.438 2.405 19852 5925 1 6 . 1 1 180 180 PRO CB C 180 29.974 29.974 32.107 -2.133 19852 5926 1 6 . 1 1 181 181 ALA N N 181 128.439 128.439 123.256 5.183 19852 5927 1 6 . 1 1 181 181 ALA C C 181 176.273 176.273 176.125 0.148 19852 5928 1 6 . 1 1 181 181 ALA CA C 181 58.092 58.092 52.506 5.586 19852 5929 1 6 . 1 1 181 181 ALA CB C 181 21.198 21.198 19.180 2.018 19852 5930 1 6 . 1 1 181 181 ALA H H 181 8.673 8.673 8.174 0.499 19852 5931 1 6 . 1 1 182 182 LEU N N 182 122.130 122.130 123.265 -1.135 19852 5932 1 6 . 1 1 182 182 LEU C C 182 177.445 177.445 176.906 0.539 19852 5933 1 6 . 1 1 182 182 LEU CA C 182 55.164 55.164 52.481 2.683 19852 5934 1 6 . 1 1 182 182 LEU CB C 182 42.866 42.866 45.356 -2.490 19852 5935 1 6 . 1 1 182 182 LEU H H 182 8.821 8.821 8.031 0.790 19852 5936 1 6 . 1 1 183 183 ALA N N 183 108.783 108.783 125.432 -16.649 19852 5937 1 6 . 1 1 183 183 ALA C C 183 160.742 160.742 175.499 -14.757 19852 5938 1 6 . 1 1 183 183 ALA CA C 183 51.651 51.651 50.671 0.980 19852 5939 1 6 . 1 1 183 183 ALA CB C 183 18.856 18.856 18.001 0.855 19852 5940 1 6 . 1 1 183 183 ALA H H 183 7.621 7.621 8.357 -0.736 19852 5941 1 6 . 1 1 184 184 PRO C C 184 177.152 177.152 174.941 2.211 19852 5942 1 6 . 1 1 184 184 PRO CA C 184 64.258 64.258 62.157 2.101 19852 5943 1 6 . 1 1 184 184 PRO CB C 184 29.681 29.681 31.524 -1.843 19852 5944 1 6 . 1 1 185 185 PRO C C 185 175.686 175.686 177.139 -1.453 19852 5945 1 6 . 1 1 185 185 PRO CA C 185 63.379 63.379 63.164 0.215 19852 5946 1 6 . 1 1 185 185 PRO CB C 185 35.248 35.248 32.191 3.057 19852 5947 1 6 . 1 1 186 186 GLU N N 186 104.931 104.931 124.696 -19.765 19852 5948 1 6 . 1 1 186 186 GLU C C 186 174.221 174.221 176.716 -2.495 19852 5949 1 6 . 1 1 186 186 GLU CA C 186 57.507 57.507 58.569 -1.062 19852 5950 1 6 . 1 1 186 186 GLU CB C 186 31.739 31.739 30.198 1.541 19852 5951 1 6 . 1 1 186 186 GLU H H 186 8.673 8.673 8.755 -0.082 19852 5952 1 6 . 1 1 187 187 VAL N N 187 124.455 124.455 112.062 12.393 19852 5953 1 6 . 1 1 187 187 VAL C C 187 178.910 178.910 174.059 4.851 19852 5954 1 6 . 1 1 187 187 VAL CA C 187 63.363 63.363 60.499 2.864 19852 5955 1 6 . 1 1 187 187 VAL CB C 187 34.082 34.082 34.797 -0.715 19852 5956 1 6 . 1 1 187 187 VAL H H 187 8.622 8.622 7.465 1.157 19852 5957 1 6 . 1 1 188 188 VAL N N 188 128.572 128.572 121.574 6.998 19852 5958 1 6 . 1 1 188 188 VAL C C 188 178.324 178.324 175.391 2.933 19852 5959 1 6 . 1 1 188 188 VAL CA C 188 68.634 68.634 61.717 6.918 19852 5960 1 6 . 1 1 188 188 VAL CB C 188 31.154 31.154 33.175 -2.021 19852 5961 1 6 . 1 1 188 188 VAL H H 188 8.497 8.497 8.194 0.303 19852 5962 1 6 . 1 1 189 189 MET N N 189 122.795 122.795 126.738 -3.943 19852 5963 1 6 . 1 1 189 189 MET C C 189 177.445 177.445 175.291 2.154 19852 5964 1 6 . 1 1 189 189 MET CA C 189 55.164 55.164 54.889 0.276 19852 5965 1 6 . 1 1 189 189 MET CB C 189 35.253 35.253 33.637 1.616 19852 5966 1 6 . 1 1 189 189 MET H H 189 6.991 6.991 8.436 -1.445 19852 5967 1 6 . 1 1 190 190 ASP N N 190 114.959 114.959 128.056 -13.097 19852 5968 1 6 . 1 1 190 190 ASP C C 190 175.686 175.686 176.473 -0.787 19852 5969 1 6 . 1 1 190 190 ASP CA C 190 51.065 51.065 52.056 -0.991 19852 5970 1 6 . 1 1 190 190 ASP CB C 190 41.695 41.695 42.075 -0.380 19852 5971 1 6 . 1 1 190 190 ASP H H 190 7.210 7.210 8.565 -1.355 19852 5972 1 6 . 1 1 191 191 PRO C C 191 176.566 176.566 178.116 -1.550 19852 5973 1 6 . 1 1 191 191 PRO CA C 191 63.965 63.965 65.192 -1.227 19852 5974 1 6 . 1 1 191 191 PRO CB C 191 31.146 31.146 31.779 -0.633 19852 5975 1 6 . 1 1 192 192 ALA N N 192 109.513 109.513 120.483 -10.970 19852 5976 1 6 . 1 1 192 192 ALA CA C 192 53.993 53.993 54.793 -0.800 19852 5977 1 6 . 1 1 192 192 ALA CB C 192 19.441 19.441 18.154 1.287 19852 5978 1 6 . 1 1 192 192 ALA H H 192 7.394 7.394 7.663 -0.269 19852 5979 1 6 . 1 1 193 193 LEU N N 193 119.009 119.009 119.364 -0.355 19852 5980 1 6 . 1 1 193 193 LEU C C 193 175.979 175.979 178.648 -2.669 19852 5981 1 6 . 1 1 193 193 LEU CA C 193 56.336 56.336 57.218 -0.882 19852 5982 1 6 . 1 1 193 193 LEU CB C 193 42.866 42.866 41.351 1.515 19852 5983 1 6 . 1 1 193 193 LEU H H 193 8.340 8.340 8.037 0.303 19852 5984 1 6 . 1 1 194 194 ALA N N 194 121.666 121.666 121.442 0.224 19852 5985 1 6 . 1 1 194 194 ALA C C 194 166.896 166.896 179.242 -12.346 19852 5986 1 6 . 1 1 194 194 ALA CA C 194 55.164 55.164 54.847 0.317 19852 5987 1 6 . 1 1 194 194 ALA CB C 194 16.513 16.513 18.059 -1.546 19852 5988 1 6 . 1 1 194 194 ALA H H 194 8.176 8.176 8.033 0.143 19852 5989 1 6 . 1 1 195 195 ALA N N 195 119.541 119.541 121.106 -1.565 19852 5990 1 6 . 1 1 195 195 ALA C C 195 173.928 173.928 179.506 -5.578 19852 5991 1 6 . 1 1 195 195 ALA CA C 195 57.507 57.507 54.697 2.810 19852 5992 1 6 . 1 1 195 195 ALA CB C 195 19.441 19.441 18.306 1.135 19852 5993 1 6 . 1 1 195 195 ALA H H 195 8.364 8.364 8.105 0.259 19852 5994 1 6 . 1 1 196 196 GLN N N 196 107.322 107.322 119.152 -11.830 19852 5995 1 6 . 1 1 196 196 GLN C C 196 176.273 176.273 178.314 -2.041 19852 5996 1 6 . 1 1 196 196 GLN CA C 196 56.921 56.921 58.568 -1.647 19852 5997 1 6 . 1 1 196 196 GLN CB C 196 29.983 29.983 28.200 1.783 19852 5998 1 6 . 1 1 196 196 GLN H H 196 7.910 7.910 7.957 -0.047 19852 5999 1 6 . 1 1 197 197 TYR N N 197 115.623 115.623 119.087 -3.464 19852 6000 1 6 . 1 1 197 197 TYR CA C 197 67.462 67.462 58.905 8.557 19852 6001 1 6 . 1 1 197 197 TYR CB C 197 41.695 41.695 37.758 3.937 19852 6002 1 6 . 1 1 197 197 TYR H H 197 8.196 8.196 8.245 -0.049 19852 6003 1 6 . 1 1 198 198 GLU N N 198 110.244 110.244 120.330 -10.086 19852 6004 1 6 . 1 1 198 198 GLU C C 198 176.273 176.273 179.003 -2.730 19852 6005 1 6 . 1 1 198 198 GLU CA C 198 53.407 53.407 59.311 -5.904 19852 6006 1 6 . 1 1 198 198 GLU CB C 198 30.568 30.568 29.671 0.897 19852 6007 1 6 . 1 1 198 198 GLU H H 198 7.523 7.523 8.251 -0.728 19852 6008 1 6 . 1 1 199 199 HIS N N 199 118.611 118.611 120.299 -1.688 19852 6009 1 6 . 1 1 199 199 HIS C C 199 175.686 175.686 177.263 -1.577 19852 6010 1 6 . 1 1 199 199 HIS CA C 199 56.921 56.921 59.420 -2.499 19852 6011 1 6 . 1 1 199 199 HIS CB C 199 28.226 28.226 29.792 -1.566 19852 6012 1 6 . 1 1 199 199 HIS H H 199 8.512 8.512 8.359 0.153 19852 6013 1 6 . 1 1 200 200 ASP N N 200 120.736 120.736 119.774 0.962 19852 6014 1 6 . 1 1 200 200 ASP C C 200 176.273 176.273 178.625 -2.352 19852 6015 1 6 . 1 1 200 200 ASP CA C 200 56.921 56.921 57.344 -0.423 19852 6016 1 6 . 1 1 200 200 ASP CB C 200 40.524 40.524 40.523 0.000 19852 6017 1 6 . 1 1 200 200 ASP H H 200 7.519 7.519 8.450 -0.931 19852 6018 1 6 . 1 1 201 201 LEU N N 201 116.353 116.353 121.311 -4.958 19852 6019 1 6 . 1 1 201 201 LEU C C 201 178.910 178.910 178.711 0.199 19852 6020 1 6 . 1 1 201 201 LEU CA C 201 61.606 61.606 57.617 3.989 19852 6021 1 6 . 1 1 201 201 LEU CB C 201 41.109 41.109 41.964 -0.855 19852 6022 1 6 . 1 1 201 201 LEU H H 201 7.722 7.722 7.976 -0.254 19852 6023 1 6 . 1 1 202 202 GLU N N 202 118.080 118.080 118.864 -0.784 19852 6024 1 6 . 1 1 202 202 GLU C C 202 176.566 176.566 179.092 -2.526 19852 6025 1 6 . 1 1 202 202 GLU CA C 202 56.921 56.921 59.557 -2.636 19852 6026 1 6 . 1 1 202 202 GLU CB C 202 30.568 30.568 29.608 0.960 19852 6027 1 6 . 1 1 202 202 GLU H H 202 8.857 8.857 8.019 0.838 19852 6028 1 6 . 1 1 203 203 VAL N N 203 129.369 129.369 119.094 10.275 19852 6029 1 6 . 1 1 203 203 VAL C C 203 178.617 178.617 177.916 0.701 19852 6030 1 6 . 1 1 203 203 VAL CA C 203 64.534 64.534 66.550 -2.016 19852 6031 1 6 . 1 1 203 203 VAL CB C 203 27.640 27.640 31.613 -3.973 19852 6032 1 6 . 1 1 203 203 VAL H H 203 9.283 9.283 8.062 1.221 19852 6033 1 6 . 1 1 204 204 ALA N N 204 109.580 109.580 118.175 -8.595 19852 6034 1 6 . 1 1 204 204 ALA C C 204 176.859 176.859 179.194 -2.335 19852 6035 1 6 . 1 1 204 204 ALA CA C 204 54.579 54.579 52.284 2.295 19852 6036 1 6 . 1 1 204 204 ALA CB C 204 18.270 18.270 18.593 -0.323 19852 6037 1 6 . 1 1 204 204 ALA H H 204 8.528 8.528 7.544 0.984 19852 6038 1 6 . 1 1 205 205 GLN N N 205 115.756 115.756 120.024 -4.268 19852 6039 1 6 . 1 1 205 205 GLN C C 205 175.979 175.979 177.760 -1.781 19852 6040 1 6 . 1 1 205 205 GLN CA C 205 48.137 48.137 58.441 -10.304 19852 6041 1 6 . 1 1 205 205 GLN CB C 205 25.883 25.883 28.978 -3.095 19852 6042 1 6 . 1 1 205 205 GLN H H 205 7.973 7.973 7.886 0.087 19852 6043 1 6 . 1 1 206 206 THR N N 206 120.271 120.271 111.029 9.242 19852 6044 1 6 . 1 1 206 206 THR C C 206 176.273 176.273 174.068 2.205 19852 6045 1 6 . 1 1 206 206 THR CA C 206 67.462 67.462 61.814 5.648 19852 6046 1 6 . 1 1 206 206 THR CB C 206 70.390 70.390 66.896 3.494 19852 6047 1 6 . 1 1 206 206 THR H H 206 7.585 7.585 7.578 0.007 19852 6048 1 6 . 1 1 207 207 THR N N 207 111.970 111.970 110.523 1.447 19852 6049 1 6 . 1 1 207 207 THR C C 207 176.566 176.566 173.958 2.608 19852 6050 1 6 . 1 1 207 207 THR CA C 207 64.534 64.534 63.361 1.173 19852 6051 1 6 . 1 1 207 207 THR CB C 207 72.733 72.733 66.489 6.244 19852 6052 1 6 . 1 1 207 207 THR H H 207 7.468 7.468 7.923 -0.455 19852 6053 1 6 . 1 1 208 208 ALA N N 208 115.623 115.623 122.668 -7.045 19852 6054 1 6 . 1 1 208 208 ALA C C 208 168.947 168.947 177.293 -8.346 19852 6055 1 6 . 1 1 208 208 ALA CA C 208 55.164 55.164 51.214 3.950 19852 6056 1 6 . 1 1 208 208 ALA CB C 208 22.369 22.369 20.297 2.072 19852 6057 1 6 . 1 1 208 208 ALA H H 208 7.390 7.390 7.648 -0.258 19852 6058 1 6 . 1 1 209 209 LEU N N 209 117.814 117.814 115.467 2.347 19852 6059 1 6 . 1 1 209 209 LEU C C 209 176.273 176.273 175.079 1.194 19852 6060 1 6 . 1 1 209 209 LEU CA C 209 58.678 58.678 56.878 1.800 19852 6061 1 6 . 1 1 209 209 LEU CB C 209 46.380 46.380 39.557 6.823 19852 6062 1 6 . 1 1 209 209 LEU H H 209 7.652 7.652 8.274 -0.622 19852 6063 1 6 . 1 1 210 210 PRO C C 210 176.566 176.566 177.258 -0.692 19852 6064 1 6 . 1 1 210 210 PRO CA C 210 63.086 63.086 62.882 0.204 19852 6065 1 6 . 1 1 210 210 PRO CB C 210 31.146 31.146 32.011 -0.865 19852 6066 1 6 . 1 1 211 211 ASP N N 211 121.134 121.134 124.775 -3.641 19852 6067 1 6 . 1 1 211 211 ASP C C 211 176.273 176.273 178.558 -2.285 19852 6068 1 6 . 1 1 211 211 ASP CA C 211 52.236 52.236 57.154 -4.918 19852 6069 1 6 . 1 1 211 211 ASP CB C 211 42.281 42.281 40.728 1.553 19852 6070 1 6 . 1 1 211 211 ASP H H 211 9.510 9.510 8.690 0.820 19852 6071 1 6 . 1 1 212 212 GLU N N 212 131.162 131.162 118.800 12.362 19852 6072 1 6 . 1 1 212 212 GLU C C 212 176.273 176.273 178.809 -2.536 19852 6073 1 6 . 1 1 212 212 GLU CA C 212 55.164 55.164 58.931 -3.768 19852 6074 1 6 . 1 1 212 212 GLU CB C 212 30.568 30.568 29.534 1.034 19852 6075 1 6 . 1 1 212 212 GLU H H 212 8.399 8.399 8.144 0.255 19852 6076 1 6 . 1 1 213 213 ASP N N 213 115.822 115.822 118.909 -3.087 19852 6077 1 6 . 1 1 213 213 ASP C C 213 174.807 174.807 178.820 -4.013 19852 6078 1 6 . 1 1 213 213 ASP CA C 213 51.065 51.065 56.763 -5.698 19852 6079 1 6 . 1 1 213 213 ASP CB C 213 41.109 41.109 40.428 0.681 19852 6080 1 6 . 1 1 213 213 ASP H H 213 10.699 10.699 7.665 3.034 19852 6081 1 6 . 1 1 214 214 ASP N N 214 112.369 112.369 119.188 -6.819 19852 6082 1 6 . 1 1 214 214 ASP C C 214 178.910 178.910 177.499 1.411 19852 6083 1 6 . 1 1 214 214 ASP CA C 214 54.579 54.579 56.376 -1.797 19852 6084 1 6 . 1 1 214 214 ASP CB C 214 39.353 39.353 41.082 -1.729 19852 6085 1 6 . 1 1 214 214 ASP H H 214 7.464 7.464 7.831 -0.367 19852 6086 1 6 . 1 1 215 215 ASP N N 215 127.244 127.244 119.085 8.159 19852 6087 1 6 . 1 1 215 215 ASP C C 215 176.859 176.859 177.271 -0.412 19852 6088 1 6 . 1 1 215 215 ASP CA C 215 54.579 54.579 56.498 -1.919 19852 6089 1 6 . 1 1 215 215 ASP CB C 215 40.524 40.524 41.170 -0.646 19852 6090 1 6 . 1 1 215 215 ASP H H 215 8.301 8.301 7.923 0.378 19852 6091 1 7 . 1 1 2 2 ALA N N 2 131.228 131.228 123.730 7.498 19852 6092 1 7 . 1 1 2 2 ALA C C 2 187.031 187.031 177.753 9.278 19852 6093 1 7 . 1 1 2 2 ALA CA C 2 53.407 53.407 53.344 0.063 19852 6094 1 7 . 1 1 2 2 ALA CB C 2 20.027 20.027 18.738 1.289 19852 6095 1 7 . 1 1 2 2 ALA H H 2 10.644 10.644 8.329 2.315 19852 6096 1 7 . 1 1 3 3 ALA N N 3 124.521 124.521 121.615 2.906 19852 6097 1 7 . 1 1 3 3 ALA C C 3 176.566 176.566 176.921 -0.355 19852 6098 1 7 . 1 1 3 3 ALA CA C 3 49.894 49.894 51.291 -1.397 19852 6099 1 7 . 1 1 3 3 ALA CB C 3 18.270 18.270 20.023 -1.753 19852 6100 1 7 . 1 1 3 3 ALA H H 3 8.669 8.669 7.621 1.048 19852 6101 1 7 . 1 1 4 4 GLN N N 4 118.080 118.080 121.988 -3.908 19852 6102 1 7 . 1 1 4 4 GLN C C 4 176.273 176.273 177.402 -1.129 19852 6103 1 7 . 1 1 4 4 GLN CA C 4 54.579 54.579 56.101 -1.522 19852 6104 1 7 . 1 1 4 4 GLN CB C 4 27.054 27.054 29.310 -2.256 19852 6105 1 7 . 1 1 4 4 GLN H H 4 8.919 8.919 8.438 0.481 19852 6106 1 7 . 1 1 5 5 GLY N N 5 121.002 121.002 109.714 11.288 19852 6107 1 7 . 1 1 5 5 GLY C C 5 181.877 181.877 174.580 7.297 19852 6108 1 7 . 1 1 5 5 GLY CA C 5 45.794 45.794 45.087 0.706 19852 6109 1 7 . 1 1 5 5 GLY H H 5 8.082 8.082 8.724 -0.642 19852 6110 1 7 . 1 1 6 6 GLU N N 6 129.435 129.435 121.680 7.755 19852 6111 1 7 . 1 1 6 6 GLU C C 6 176.566 176.566 175.075 1.491 19852 6112 1 7 . 1 1 6 6 GLU CA C 6 56.336 56.336 54.773 1.563 19852 6113 1 7 . 1 1 6 6 GLU CB C 6 28.811 28.811 29.765 -0.954 19852 6114 1 7 . 1 1 6 6 GLU H H 6 9.267 9.267 8.205 1.062 19852 6115 1 7 . 1 1 7 7 PRO C C 7 176.566 176.566 176.356 0.210 19852 6116 1 7 . 1 1 7 7 PRO CA C 7 63.672 63.672 62.740 0.932 19852 6117 1 7 . 1 1 7 7 PRO CB C 7 31.146 31.146 32.276 -1.130 19852 6118 1 7 . 1 1 8 8 GLN N N 8 112.502 112.502 119.336 -6.834 19852 6119 1 7 . 1 1 8 8 GLN C C 8 177.445 177.445 176.327 1.118 19852 6120 1 7 . 1 1 8 8 GLN CA C 8 50.479 50.479 55.897 -5.418 19852 6121 1 7 . 1 1 8 8 GLN CB C 8 28.811 28.811 28.523 0.288 19852 6122 1 7 . 1 1 8 8 GLN H H 8 6.220 6.220 8.371 -2.151 19852 6123 1 7 . 1 1 9 9 VAL N N 9 117.416 117.416 126.357 -8.941 19852 6124 1 7 . 1 1 9 9 VAL C C 9 178.324 178.324 174.219 4.105 19852 6125 1 7 . 1 1 9 9 VAL CA C 9 63.363 63.363 62.040 1.323 19852 6126 1 7 . 1 1 9 9 VAL CB C 9 34.668 34.668 31.682 2.986 19852 6127 1 7 . 1 1 9 9 VAL H H 9 6.561 6.561 8.635 -2.074 19852 6128 1 7 . 1 1 10 10 GLN N N 10 113.896 113.896 124.808 -10.912 19852 6129 1 7 . 1 1 10 10 GLN C C 10 176.273 176.273 174.724 1.549 19852 6130 1 7 . 1 1 10 10 GLN CA C 10 55.164 55.164 53.869 1.295 19852 6131 1 7 . 1 1 10 10 GLN CB C 10 28.226 28.226 32.313 -4.087 19852 6132 1 7 . 1 1 10 10 GLN H H 10 7.847 7.847 8.171 -0.324 19852 6133 1 7 . 1 1 11 11 PHE N N 11 118.744 118.744 122.390 -3.646 19852 6134 1 7 . 1 1 11 11 PHE C C 11 176.566 176.566 174.563 2.003 19852 6135 1 7 . 1 1 11 11 PHE CA C 11 59.849 59.849 56.464 3.385 19852 6136 1 7 . 1 1 11 11 PHE CB C 11 41.109 41.109 43.105 -1.996 19852 6137 1 7 . 1 1 11 11 PHE H H 11 8.262 8.262 8.934 -0.672 19852 6138 1 7 . 1 1 12 12 LYS N N 12 124.123 124.123 122.737 1.386 19852 6139 1 7 . 1 1 12 12 LYS C C 12 177.152 177.152 175.084 2.068 19852 6140 1 7 . 1 1 12 12 LYS CA C 12 57.507 57.507 55.869 1.638 19852 6141 1 7 . 1 1 12 12 LYS CB C 12 28.811 28.811 33.264 -4.454 19852 6142 1 7 . 1 1 12 12 LYS H H 12 8.415 8.415 8.961 -0.546 19852 6143 1 7 . 1 1 13 13 LEU N N 13 112.103 112.103 128.185 -16.082 19852 6144 1 7 . 1 1 13 13 LEU C C 13 177.738 177.738 174.653 3.085 19852 6145 1 7 . 1 1 13 13 LEU CA C 13 54.579 54.579 53.326 1.253 19852 6146 1 7 . 1 1 13 13 LEU CB C 13 42.866 42.866 45.827 -2.961 19852 6147 1 7 . 1 1 13 13 LEU H H 13 6.905 6.905 9.054 -2.149 19852 6148 1 7 . 1 1 14 14 VAL N N 14 127.310 127.310 126.881 0.429 19852 6149 1 7 . 1 1 14 14 VAL C C 14 175.393 175.393 173.784 1.609 19852 6150 1 7 . 1 1 14 14 VAL CA C 14 70.976 70.976 61.942 9.034 19852 6151 1 7 . 1 1 14 14 VAL CB C 14 28.811 28.811 32.866 -4.055 19852 6152 1 7 . 1 1 14 14 VAL H H 14 8.305 8.305 8.802 -0.497 19852 6153 1 7 . 1 1 15 15 LEU N N 15 121.400 121.400 131.216 -9.816 19852 6154 1 7 . 1 1 15 15 LEU C C 15 173.342 173.342 174.866 -1.524 19852 6155 1 7 . 1 1 15 15 LEU CA C 15 56.336 56.336 53.254 3.082 19852 6156 1 7 . 1 1 15 15 LEU CB C 15 41.695 41.695 44.578 -2.883 19852 6157 1 7 . 1 1 15 15 LEU H H 15 7.785 7.785 8.388 -0.603 19852 6158 1 7 . 1 1 16 16 VAL N N 16 121.267 121.267 119.948 1.319 19852 6159 1 7 . 1 1 16 16 VAL C C 16 178.324 178.324 174.557 3.767 19852 6160 1 7 . 1 1 16 16 VAL CA C 16 63.363 63.363 58.678 4.685 19852 6161 1 7 . 1 1 16 16 VAL CB C 16 35.839 35.839 35.238 0.601 19852 6162 1 7 . 1 1 16 16 VAL H H 16 8.935 8.935 8.753 0.182 19852 6163 1 7 . 1 1 17 17 GLY N N 17 127.908 127.908 107.419 20.489 19852 6164 1 7 . 1 1 17 17 GLY C C 17 174.514 174.514 172.409 2.105 19852 6165 1 7 . 1 1 17 17 GLY CA C 17 42.281 42.281 45.002 -2.721 19852 6166 1 7 . 1 1 17 17 GLY H H 17 9.682 9.682 7.424 2.258 19852 6167 1 7 . 1 1 18 18 ASP N N 18 119.673 119.673 120.393 -0.720 19852 6168 1 7 . 1 1 18 18 ASP C C 18 176.859 176.859 177.230 -0.371 19852 6169 1 7 . 1 1 18 18 ASP CA C 18 55.750 55.750 54.330 1.420 19852 6170 1 7 . 1 1 18 18 ASP CB C 18 39.938 39.938 42.260 -2.322 19852 6171 1 7 . 1 1 18 18 ASP H H 18 7.879 7.879 8.374 -0.495 19852 6172 1 7 . 1 1 19 19 GLY N N 19 120.670 120.670 107.740 12.930 19852 6173 1 7 . 1 1 19 19 GLY C C 19 178.324 178.324 175.007 3.317 19852 6174 1 7 . 1 1 19 19 GLY CA C 19 42.281 42.281 45.431 -3.150 19852 6175 1 7 . 1 1 19 19 GLY H H 19 8.825 8.825 8.638 0.187 19852 6176 1 7 . 1 1 20 20 GLY N N 20 129.369 129.369 112.947 16.422 19852 6177 1 7 . 1 1 20 20 GLY C C 20 174.221 174.221 175.969 -1.748 19852 6178 1 7 . 1 1 20 20 GLY CA C 20 41.695 41.695 45.561 -3.866 19852 6179 1 7 . 1 1 20 20 GLY H H 20 8.477 8.477 8.669 -0.192 19852 6180 1 7 . 1 1 21 21 THR N N 21 114.560 114.560 118.277 -3.717 19852 6181 1 7 . 1 1 21 21 THR C C 21 178.617 178.617 175.323 3.294 19852 6182 1 7 . 1 1 21 21 THR CA C 21 62.192 62.192 66.702 -4.510 19852 6183 1 7 . 1 1 21 21 THR CB C 21 70.390 70.390 69.135 1.255 19852 6184 1 7 . 1 1 21 21 THR H H 21 8.196 8.196 7.757 0.439 19852 6185 1 7 . 1 1 22 22 GLY N N 22 112.369 112.369 106.440 5.929 19852 6186 1 7 . 1 1 22 22 GLY C C 22 184.807 184.807 175.193 9.614 19852 6187 1 7 . 1 1 22 22 GLY CA C 22 45.209 45.209 45.100 0.109 19852 6188 1 7 . 1 1 22 22 GLY H H 22 6.772 6.772 8.339 -1.567 19852 6189 1 7 . 1 1 23 23 LYS N N 23 124.056 124.056 121.518 2.538 19852 6190 1 7 . 1 1 23 23 LYS C C 23 176.566 176.566 178.101 -1.535 19852 6191 1 7 . 1 1 23 23 LYS CA C 23 56.921 56.921 59.699 -2.778 19852 6192 1 7 . 1 1 23 23 LYS CB C 23 35.839 35.839 32.118 3.721 19852 6193 1 7 . 1 1 23 23 LYS H H 23 8.180 8.180 8.528 -0.348 19852 6194 1 7 . 1 1 24 24 THR N N 24 114.627 114.627 114.400 0.227 19852 6195 1 7 . 1 1 24 24 THR C C 24 178.324 178.324 176.481 1.843 19852 6196 1 7 . 1 1 24 24 THR CA C 24 62.192 62.192 67.479 -5.287 19852 6197 1 7 . 1 1 24 24 THR CB C 24 71.562 71.562 67.873 3.689 19852 6198 1 7 . 1 1 24 24 THR H H 24 8.469 8.469 8.239 0.230 19852 6199 1 7 . 1 1 25 25 THR N N 25 110.377 110.377 118.337 -7.960 19852 6200 1 7 . 1 1 25 25 THR C C 25 178.324 178.324 175.839 2.485 19852 6201 1 7 . 1 1 25 25 THR CA C 25 64.534 64.534 67.226 -2.692 19852 6202 1 7 . 1 1 25 25 THR CB C 25 71.562 71.562 68.450 3.112 19852 6203 1 7 . 1 1 25 25 THR H H 25 8.415 8.415 8.115 0.300 19852 6204 1 7 . 1 1 26 26 PHE N N 26 114.295 114.295 121.838 -7.543 19852 6205 1 7 . 1 1 26 26 PHE C C 26 174.514 174.514 177.696 -3.182 19852 6206 1 7 . 1 1 26 26 PHE CA C 26 53.407 53.407 61.523 -8.116 19852 6207 1 7 . 1 1 26 26 PHE CB C 26 40.524 40.524 39.187 1.337 19852 6208 1 7 . 1 1 26 26 PHE H H 26 7.707 7.707 8.251 -0.544 19852 6209 1 7 . 1 1 27 27 VAL N N 27 123.525 123.525 120.356 3.169 19852 6210 1 7 . 1 1 27 27 VAL C C 27 178.031 178.031 177.600 0.431 19852 6211 1 7 . 1 1 27 27 VAL CA C 27 67.462 67.462 66.518 0.944 19852 6212 1 7 . 1 1 27 27 VAL CB C 27 29.397 29.397 31.493 -2.096 19852 6213 1 7 . 1 1 27 27 VAL H H 27 6.987 6.987 8.221 -1.234 19852 6214 1 7 . 1 1 28 28 LYS N N 28 114.228 114.228 117.183 -2.955 19852 6215 1 7 . 1 1 28 28 LYS C C 28 176.566 176.566 177.536 -0.970 19852 6216 1 7 . 1 1 28 28 LYS CA C 28 58.092 58.092 57.943 0.149 19852 6217 1 7 . 1 1 28 28 LYS CB C 28 34.082 34.082 31.756 2.326 19852 6218 1 7 . 1 1 28 28 LYS H H 28 7.429 7.429 7.929 -0.500 19852 6219 1 7 . 1 1 29 29 ARG N N 29 112.037 112.037 116.879 -4.842 19852 6220 1 7 . 1 1 29 29 ARG C C 29 174.221 174.221 176.499 -2.278 19852 6221 1 7 . 1 1 29 29 ARG CA C 29 72.147 72.147 58.263 13.884 19852 6222 1 7 . 1 1 29 29 ARG CB C 29 37.596 37.596 30.208 7.388 19852 6223 1 7 . 1 1 29 29 ARG H H 29 6.803 6.803 7.069 -0.266 19852 6224 1 7 . 1 1 30 30 HIS N N 30 122.396 122.396 119.446 2.950 19852 6225 1 7 . 1 1 30 30 HIS C C 30 172.170 172.170 176.077 -3.907 19852 6226 1 7 . 1 1 30 30 HIS CA C 30 51.651 51.651 55.758 -4.106 19852 6227 1 7 . 1 1 30 30 HIS CB C 30 30.568 30.568 29.983 0.585 19852 6228 1 7 . 1 1 30 30 HIS H H 30 7.644 7.644 7.266 0.378 19852 6229 1 7 . 1 1 31 31 LEU N N 31 110.377 110.377 127.874 -17.497 19852 6230 1 7 . 1 1 31 31 LEU C C 31 178.031 178.031 178.236 -0.205 19852 6231 1 7 . 1 1 31 31 LEU CA C 31 55.164 55.164 57.892 -2.728 19852 6232 1 7 . 1 1 31 31 LEU CB C 31 42.281 42.281 41.595 0.686 19852 6233 1 7 . 1 1 31 31 LEU H H 31 7.894 7.894 7.921 -0.027 19852 6234 1 7 . 1 1 32 32 THR N N 32 118.213 118.213 114.185 4.028 19852 6235 1 7 . 1 1 32 32 THR C C 32 178.910 178.910 176.526 2.384 19852 6236 1 7 . 1 1 32 32 THR CA C 32 63.949 63.949 67.382 -3.433 19852 6237 1 7 . 1 1 32 32 THR CB C 32 72.733 72.733 68.009 4.724 19852 6238 1 7 . 1 1 32 32 THR H H 32 7.570 7.570 8.135 -0.565 19852 6239 1 7 . 1 1 33 33 GLY N N 33 127.841 127.841 108.991 18.850 19852 6240 1 7 . 1 1 33 33 GLY C C 33 161.914 161.914 175.754 -13.840 19852 6241 1 7 . 1 1 33 33 GLY CA C 33 42.866 42.866 46.808 -3.942 19852 6242 1 7 . 1 1 33 33 GLY H H 33 9.662 9.662 8.085 1.577 19852 6243 1 7 . 1 1 34 34 GLU N N 34 122.263 122.263 123.044 -0.781 19852 6244 1 7 . 1 1 34 34 GLU C C 34 176.859 176.859 179.393 -2.534 19852 6245 1 7 . 1 1 34 34 GLU CA C 34 51.651 51.651 58.726 -7.075 19852 6246 1 7 . 1 1 34 34 GLU CB C 34 29.397 29.397 29.796 -0.399 19852 6247 1 7 . 1 1 34 34 GLU H H 34 7.140 7.140 7.848 -0.708 19852 6248 1 7 . 1 1 35 35 PHE N N 35 111.838 111.838 119.281 -7.443 19852 6249 1 7 . 1 1 35 35 PHE C C 35 174.221 174.221 177.931 -3.710 19852 6250 1 7 . 1 1 35 35 PHE CA C 35 49.308 49.308 60.063 -10.755 19852 6251 1 7 . 1 1 35 35 PHE CB C 35 41.695 41.695 38.684 3.011 19852 6252 1 7 . 1 1 35 35 PHE H H 35 6.772 6.772 8.080 -1.308 19852 6253 1 7 . 1 1 36 36 GLU N N 36 124.388 124.388 116.209 8.179 19852 6254 1 7 . 1 1 36 36 GLU C C 36 176.859 176.859 175.627 1.232 19852 6255 1 7 . 1 1 36 36 GLU CA C 36 58.092 58.092 55.770 2.322 19852 6256 1 7 . 1 1 36 36 GLU CB C 36 30.568 30.568 28.880 1.688 19852 6257 1 7 . 1 1 36 36 GLU H H 36 7.734 7.734 8.275 -0.541 19852 6258 1 7 . 1 1 37 37 LYS N N 37 118.810 118.810 119.900 -1.090 19852 6259 1 7 . 1 1 37 37 LYS C C 37 172.756 172.756 176.919 -4.163 19852 6260 1 7 . 1 1 37 37 LYS CA C 37 48.137 48.137 56.571 -8.434 19852 6261 1 7 . 1 1 37 37 LYS CB C 37 37.010 37.010 32.426 4.583 19852 6262 1 7 . 1 1 37 37 LYS H H 37 8.509 8.509 7.225 1.284 19852 6263 1 7 . 1 1 38 38 LYS N N 38 108.052 108.052 124.966 -16.914 19852 6264 1 7 . 1 1 38 38 LYS C C 38 176.273 176.273 174.663 1.610 19852 6265 1 7 . 1 1 38 38 LYS CA C 38 59.849 59.849 55.065 4.784 19852 6266 1 7 . 1 1 38 38 LYS CB C 38 34.668 34.668 35.375 -0.707 19852 6267 1 7 . 1 1 38 38 LYS H H 38 7.715 7.715 8.519 -0.804 19852 6268 1 7 . 1 1 39 39 TYR N N 39 108.650 108.650 126.066 -17.416 19852 6269 1 7 . 1 1 39 39 TYR C C 39 175.686 175.686 175.247 0.439 19852 6270 1 7 . 1 1 39 39 TYR CA C 39 61.020 61.020 57.139 3.881 19852 6271 1 7 . 1 1 39 39 TYR CB C 39 36.424 36.424 39.795 -3.371 19852 6272 1 7 . 1 1 39 39 TYR H H 39 7.362 7.362 8.661 -1.299 19852 6273 1 7 . 1 1 40 40 VAL N N 40 117.947 117.947 128.488 -10.541 19852 6274 1 7 . 1 1 40 40 VAL C C 40 175.393 175.393 175.010 0.383 19852 6275 1 7 . 1 1 40 40 VAL CA C 40 61.020 61.020 60.732 0.288 19852 6276 1 7 . 1 1 40 40 VAL CB C 40 31.154 31.154 32.082 -0.928 19852 6277 1 7 . 1 1 40 40 VAL H H 40 8.442 8.442 8.445 -0.003 19852 6278 1 7 . 1 1 42 42 THR N N 42 117.150 117.150 111.228 5.922 19852 6279 1 7 . 1 1 42 42 THR C C 42 178.910 178.910 176.345 2.565 19852 6280 1 7 . 1 1 42 42 THR CA C 42 60.435 60.435 64.561 -4.126 19852 6281 1 7 . 1 1 42 42 THR CB C 42 70.390 70.390 68.158 2.232 19852 6282 1 7 . 1 1 42 42 THR H H 42 8.192 8.192 8.078 0.114 19852 6283 1 7 . 1 1 43 43 LEU N N 43 119.209 119.209 121.831 -2.622 19852 6284 1 7 . 1 1 43 43 LEU C C 43 174.807 174.807 177.589 -2.782 19852 6285 1 7 . 1 1 43 43 LEU CA C 43 57.507 57.507 55.407 2.099 19852 6286 1 7 . 1 1 43 43 LEU CB C 43 42.866 42.866 41.898 0.968 19852 6287 1 7 . 1 1 43 43 LEU H H 43 9.260 9.260 7.761 1.499 19852 6288 1 7 . 1 1 44 44 GLY N N 44 114.361 114.361 105.964 8.397 19852 6289 1 7 . 1 1 44 44 GLY C C 44 178.910 178.910 173.256 5.654 19852 6290 1 7 . 1 1 44 44 GLY CA C 44 54.579 54.579 45.605 8.975 19852 6291 1 7 . 1 1 44 44 GLY H H 44 6.979 6.979 7.970 -0.991 19852 6292 1 7 . 1 1 45 45 VAL N N 45 110.244 110.244 118.048 -7.804 19852 6293 1 7 . 1 1 45 45 VAL C C 45 174.807 174.807 173.592 1.215 19852 6294 1 7 . 1 1 45 45 VAL CA C 45 63.363 63.363 60.891 2.472 19852 6295 1 7 . 1 1 45 45 VAL CB C 45 17.099 17.099 35.243 -18.145 19852 6296 1 7 . 1 1 45 45 VAL H H 45 8.309 8.309 7.110 1.199 19852 6297 1 7 . 1 1 46 46 GLU N N 46 130.365 130.365 126.467 3.898 19852 6298 1 7 . 1 1 46 46 GLU C C 46 176.859 176.859 175.151 1.708 19852 6299 1 7 . 1 1 46 46 GLU CA C 46 55.164 55.164 54.624 0.540 19852 6300 1 7 . 1 1 46 46 GLU CB C 46 32.325 32.325 32.286 0.039 19852 6301 1 7 . 1 1 46 46 GLU H H 46 9.741 9.741 9.167 0.574 19852 6302 1 7 . 1 1 47 47 VAL N N 47 115.623 115.623 127.917 -12.294 19852 6303 1 7 . 1 1 47 47 VAL C C 47 178.324 178.324 174.861 3.463 19852 6304 1 7 . 1 1 47 47 VAL CA C 47 63.363 63.363 61.406 1.957 19852 6305 1 7 . 1 1 47 47 VAL CB C 47 32.911 32.911 32.464 0.447 19852 6306 1 7 . 1 1 47 47 VAL H H 47 7.339 7.339 9.003 -1.664 19852 6307 1 7 . 1 1 48 48 HIS N N 48 129.236 129.236 127.415 1.821 19852 6308 1 7 . 1 1 48 48 HIS C C 48 169.240 169.240 172.845 -3.605 19852 6309 1 7 . 1 1 48 48 HIS CA C 48 49.894 49.894 53.443 -3.549 19852 6310 1 7 . 1 1 48 48 HIS CB C 48 27.640 27.640 32.395 -4.755 19852 6311 1 7 . 1 1 48 48 HIS H H 48 10.390 10.390 9.434 0.956 19852 6312 1 7 . 1 1 49 49 PRO C C 49 176.273 176.273 175.666 0.607 19852 6313 1 7 . 1 1 49 49 PRO CA C 49 62.500 62.500 62.910 -0.410 19852 6314 1 7 . 1 1 49 49 PRO CB C 49 29.974 29.974 31.462 -1.488 19852 6315 1 7 . 1 1 50 50 LEU N N 50 119.408 119.408 129.098 -9.690 19852 6316 1 7 . 1 1 50 50 LEU C C 50 177.445 177.445 175.234 2.211 19852 6317 1 7 . 1 1 50 50 LEU CA C 50 59.264 59.264 54.094 5.170 19852 6318 1 7 . 1 1 50 50 LEU CB C 50 42.281 42.281 42.731 -0.450 19852 6319 1 7 . 1 1 50 50 LEU H H 50 7.492 7.492 8.949 -1.457 19852 6320 1 7 . 1 1 51 51 VAL N N 51 117.947 117.947 124.510 -6.563 19852 6321 1 7 . 1 1 51 51 VAL C C 51 174.514 174.514 174.887 -0.373 19852 6322 1 7 . 1 1 51 51 VAL CA C 51 64.534 64.534 61.949 2.585 19852 6323 1 7 . 1 1 51 51 VAL CB C 51 37.010 37.010 32.466 4.544 19852 6324 1 7 . 1 1 51 51 VAL H H 51 7.715 7.715 7.998 -0.283 19852 6325 1 7 . 1 1 52 52 PHE N N 52 124.853 124.853 126.623 -1.770 19852 6326 1 7 . 1 1 52 52 PHE C C 52 175.100 175.100 174.157 0.943 19852 6327 1 7 . 1 1 52 52 PHE CA C 52 56.336 56.336 56.136 0.199 19852 6328 1 7 . 1 1 52 52 PHE CB C 52 39.938 39.938 41.987 -2.049 19852 6329 1 7 . 1 1 52 52 PHE H H 52 8.935 8.935 8.980 -0.045 19852 6330 1 7 . 1 1 53 53 HIS N N 53 120.603 120.603 123.326 -2.723 19852 6331 1 7 . 1 1 53 53 HIS C C 53 170.119 170.119 175.044 -4.925 19852 6332 1 7 . 1 1 53 53 HIS CA C 53 55.164 55.164 55.484 -0.320 19852 6333 1 7 . 1 1 53 53 HIS CB C 53 30.568 30.568 30.525 0.043 19852 6334 1 7 . 1 1 53 53 HIS H H 53 8.356 8.356 8.977 -0.621 19852 6335 1 7 . 1 1 54 54 THR N N 54 112.634 112.634 115.743 -3.109 19852 6336 1 7 . 1 1 54 54 THR C C 54 178.910 178.910 175.577 3.333 19852 6337 1 7 . 1 1 54 54 THR CA C 54 63.363 63.363 59.386 3.977 19852 6338 1 7 . 1 1 54 54 THR CB C 54 72.733 72.733 71.707 1.026 19852 6339 1 7 . 1 1 54 54 THR H H 54 7.574 7.574 8.308 -0.734 19852 6340 1 7 . 1 1 55 55 ASN N N 55 131.095 131.095 118.962 12.133 19852 6341 1 7 . 1 1 55 55 ASN C C 55 176.273 176.273 177.188 -0.915 19852 6342 1 7 . 1 1 55 55 ASN CA C 55 51.065 51.065 55.485 -4.420 19852 6343 1 7 . 1 1 55 55 ASN CB C 55 37.010 37.010 38.337 -1.327 19852 6344 1 7 . 1 1 55 55 ASN H H 55 10.187 10.187 8.606 1.581 19852 6345 1 7 . 1 1 56 56 ARG N N 56 122.064 122.064 118.692 3.372 19852 6346 1 7 . 1 1 56 56 ARG C C 56 175.100 175.100 176.355 -1.255 19852 6347 1 7 . 1 1 56 56 ARG CA C 56 61.606 61.606 57.390 4.216 19852 6348 1 7 . 1 1 56 56 ARG CB C 56 32.911 32.911 31.269 1.642 19852 6349 1 7 . 1 1 56 56 ARG H H 56 7.433 7.433 7.761 -0.328 19852 6350 1 7 . 1 1 57 57 GLY N N 57 127.709 127.709 103.806 23.903 19852 6351 1 7 . 1 1 57 57 GLY C C 57 175.979 175.979 171.656 4.323 19852 6352 1 7 . 1 1 57 57 GLY CA C 57 42.281 42.281 44.481 -2.200 19852 6353 1 7 . 1 1 57 57 GLY H H 57 9.373 9.373 7.628 1.745 19852 6354 1 7 . 1 1 58 58 PRO C C 58 177.152 177.152 175.726 1.426 19852 6355 1 7 . 1 1 58 58 PRO CA C 58 65.137 65.137 63.094 2.043 19852 6356 1 7 . 1 1 58 58 PRO CB C 58 29.095 29.095 32.170 -3.075 19852 6357 1 7 . 1 1 59 59 ILE N N 59 128.638 128.638 122.966 5.672 19852 6358 1 7 . 1 1 59 59 ILE C C 59 175.979 175.979 174.787 1.192 19852 6359 1 7 . 1 1 59 59 ILE CA C 59 65.120 65.120 60.180 4.940 19852 6360 1 7 . 1 1 59 59 ILE CB C 59 40.524 40.524 41.445 -0.921 19852 6361 1 7 . 1 1 59 59 ILE H H 59 8.794 8.794 8.945 -0.151 19852 6362 1 7 . 1 1 60 60 LYS N N 60 115.756 115.756 125.410 -9.654 19852 6363 1 7 . 1 1 60 60 LYS C C 60 175.979 175.979 175.510 0.469 19852 6364 1 7 . 1 1 60 60 LYS CA C 60 56.921 56.921 54.626 2.295 19852 6365 1 7 . 1 1 60 60 LYS CB C 60 32.325 32.325 34.630 -2.305 19852 6366 1 7 . 1 1 60 60 LYS H H 60 7.253 7.253 8.793 -1.540 19852 6367 1 7 . 1 1 61 61 PHE N N 61 120.670 120.670 123.973 -3.303 19852 6368 1 7 . 1 1 61 61 PHE C C 61 175.393 175.393 175.222 0.171 19852 6369 1 7 . 1 1 61 61 PHE CA C 61 57.507 57.507 56.835 0.672 19852 6370 1 7 . 1 1 61 61 PHE CB C 61 41.109 41.109 41.048 0.061 19852 6371 1 7 . 1 1 61 61 PHE H H 61 7.515 7.515 9.433 -1.918 19852 6372 1 7 . 1 1 62 62 ASN N N 62 119.076 119.076 124.643 -5.567 19852 6373 1 7 . 1 1 62 62 ASN C C 62 175.100 175.100 174.671 0.429 19852 6374 1 7 . 1 1 62 62 ASN CA C 62 53.407 53.407 53.296 0.111 19852 6375 1 7 . 1 1 62 62 ASN CB C 62 38.767 38.767 39.091 -0.324 19852 6376 1 7 . 1 1 62 62 ASN H H 62 7.558 7.558 9.348 -1.790 19852 6377 1 7 . 1 1 63 63 VAL N N 63 106.127 106.127 125.567 -19.440 19852 6378 1 7 . 1 1 63 63 VAL C C 63 175.100 175.100 175.652 -0.552 19852 6379 1 7 . 1 1 63 63 VAL CA C 63 61.020 61.020 62.815 -1.795 19852 6380 1 7 . 1 1 63 63 VAL CB C 63 31.154 31.154 32.555 -1.401 19852 6381 1 7 . 1 1 63 63 VAL H H 63 8.113 8.113 9.146 -1.033 19852 6382 1 7 . 1 1 64 64 TRP N N 64 129.302 129.302 129.975 -0.673 19852 6383 1 7 . 1 1 64 64 TRP C C 64 177.152 177.152 175.798 1.354 19852 6384 1 7 . 1 1 64 64 TRP CA C 64 59.264 59.264 55.103 4.161 19852 6385 1 7 . 1 1 64 64 TRP CB C 64 29.397 29.397 29.531 -0.134 19852 6386 1 7 . 1 1 64 64 TRP H H 64 8.970 8.970 9.602 -0.632 19852 6387 1 7 . 1 1 65 65 ASP N N 65 119.607 119.607 123.690 -4.083 19852 6388 1 7 . 1 1 65 65 ASP C C 65 174.514 174.514 175.927 -1.413 19852 6389 1 7 . 1 1 65 65 ASP CA C 65 55.164 55.164 52.717 2.447 19852 6390 1 7 . 1 1 65 65 ASP CB C 65 41.109 41.109 45.080 -3.971 19852 6391 1 7 . 1 1 65 65 ASP H H 65 8.638 8.638 9.282 -0.644 19852 6392 1 7 . 1 1 66 66 THR N N 66 122.463 122.463 115.280 7.183 19852 6393 1 7 . 1 1 66 66 THR C C 66 178.617 178.617 174.548 4.069 19852 6394 1 7 . 1 1 66 66 THR CA C 66 68.048 68.048 61.624 6.424 19852 6395 1 7 . 1 1 66 66 THR CB C 66 71.562 71.562 69.990 1.572 19852 6396 1 7 . 1 1 66 66 THR H H 66 8.293 8.293 8.435 -0.142 19852 6397 1 7 . 1 1 67 67 ALA N N 67 104.865 104.865 123.840 -18.975 19852 6398 1 7 . 1 1 67 67 ALA C C 67 177.738 177.738 177.920 -0.182 19852 6399 1 7 . 1 1 67 67 ALA CA C 67 48.722 48.722 51.554 -2.832 19852 6400 1 7 . 1 1 67 67 ALA CB C 67 14.171 14.171 18.778 -4.607 19852 6401 1 7 . 1 1 67 67 ALA H H 67 8.657 8.657 8.019 0.638 19852 6402 1 7 . 1 1 68 68 GLY N N 68 115.357 115.357 107.418 7.939 19852 6403 1 7 . 1 1 68 68 GLY C C 68 189.533 189.533 175.972 13.561 19852 6404 1 7 . 1 1 68 68 GLY CA C 68 45.209 45.209 45.269 -0.060 19852 6405 1 7 . 1 1 68 68 GLY H H 68 10.969 10.969 7.720 3.249 19852 6406 1 7 . 1 1 69 69 GLN N N 69 110.111 110.111 119.214 -9.103 19852 6407 1 7 . 1 1 69 69 GLN C C 69 176.859 176.859 176.786 0.073 19852 6408 1 7 . 1 1 69 69 GLN CA C 69 55.750 55.750 58.449 -2.699 19852 6409 1 7 . 1 1 69 69 GLN CB C 69 27.640 27.640 28.059 -0.419 19852 6410 1 7 . 1 1 69 69 GLN H H 69 8.344 8.344 8.500 -0.156 19852 6411 1 7 . 1 1 70 70 GLU N N 70 114.826 114.826 116.314 -1.488 19852 6412 1 7 . 1 1 70 70 GLU C C 70 176.273 176.273 177.268 -0.995 19852 6413 1 7 . 1 1 70 70 GLU CA C 70 57.507 57.507 58.292 -0.785 19852 6414 1 7 . 1 1 70 70 GLU CB C 70 28.811 28.811 29.262 -0.451 19852 6415 1 7 . 1 1 70 70 GLU H H 70 9.651 9.651 8.382 1.269 19852 6416 1 7 . 1 1 71 71 LYS N N 71 116.685 116.685 117.278 -0.593 19852 6417 1 7 . 1 1 71 71 LYS C C 71 175.979 175.979 178.362 -2.383 19852 6418 1 7 . 1 1 71 71 LYS CA C 71 48.722 48.722 58.254 -9.532 19852 6419 1 7 . 1 1 71 71 LYS CB C 71 37.010 37.010 32.786 4.224 19852 6420 1 7 . 1 1 71 71 LYS H H 71 8.712 8.712 7.477 1.235 19852 6421 1 7 . 1 1 72 72 PHE N N 72 114.959 114.959 114.201 0.758 19852 6422 1 7 . 1 1 72 72 PHE C C 72 175.686 175.686 176.013 -0.327 19852 6423 1 7 . 1 1 72 72 PHE CA C 72 56.336 56.336 57.282 -0.946 19852 6424 1 7 . 1 1 72 72 PHE CB C 72 36.424 36.424 39.690 -3.266 19852 6425 1 7 . 1 1 72 72 PHE H H 72 7.965 7.965 7.293 0.672 19852 6426 1 7 . 1 1 73 73 GLY N N 73 117.084 117.084 107.611 9.473 19852 6427 1 7 . 1 1 73 73 GLY C C 73 168.068 168.068 172.351 -4.283 19852 6428 1 7 . 1 1 73 73 GLY CA C 73 42.281 42.281 45.158 -2.877 19852 6429 1 7 . 1 1 73 73 GLY H H 73 7.609 7.609 7.416 0.193 19852 6430 1 7 . 1 1 74 74 GLY N N 74 120.537 120.537 105.709 14.828 19852 6431 1 7 . 1 1 74 74 GLY C C 74 174.514 174.514 174.169 0.345 19852 6432 1 7 . 1 1 74 74 GLY CA C 74 44.037 44.037 44.055 -0.018 19852 6433 1 7 . 1 1 74 74 GLY H H 74 9.326 9.326 8.324 1.002 19852 6434 1 7 . 1 1 75 75 LEU N N 75 127.177 127.177 120.746 6.431 19852 6435 1 7 . 1 1 75 75 LEU C C 75 178.617 178.617 177.538 1.079 19852 6436 1 7 . 1 1 75 75 LEU CA C 75 53.407 53.407 54.158 -0.751 19852 6437 1 7 . 1 1 75 75 LEU CB C 75 42.281 42.281 43.181 -0.900 19852 6438 1 7 . 1 1 75 75 LEU H H 75 7.628 7.628 8.692 -1.064 19852 6439 1 7 . 1 1 76 76 ARG N N 76 116.486 116.486 122.909 -6.423 19852 6440 1 7 . 1 1 76 76 ARG C C 76 176.859 176.859 176.980 -0.121 19852 6441 1 7 . 1 1 76 76 ARG CA C 76 59.264 59.264 56.304 2.959 19852 6442 1 7 . 1 1 76 76 ARG CB C 76 31.154 31.154 31.115 0.039 19852 6443 1 7 . 1 1 76 76 ARG H H 76 7.143 7.143 8.592 -1.449 19852 6444 1 7 . 1 1 77 77 ASP N N 77 129.236 129.236 122.503 6.733 19852 6445 1 7 . 1 1 77 77 ASP C C 77 177.152 177.152 178.540 -1.388 19852 6446 1 7 . 1 1 77 77 ASP CA C 77 52.822 52.822 57.961 -5.139 19852 6447 1 7 . 1 1 77 77 ASP CB C 77 41.695 41.695 40.604 1.091 19852 6448 1 7 . 1 1 77 77 ASP H H 77 8.947 8.947 8.946 0.001 19852 6449 1 7 . 1 1 78 78 GLY N N 78 127.244 127.244 107.536 19.708 19852 6450 1 7 . 1 1 78 78 GLY C C 78 173.928 173.928 175.247 -1.319 19852 6451 1 7 . 1 1 78 78 GLY CA C 78 44.623 44.623 47.030 -2.407 19852 6452 1 7 . 1 1 78 78 GLY H H 78 8.219 8.219 8.601 -0.382 19852 6453 1 7 . 1 1 79 79 TYR N N 79 120.537 120.537 121.286 -0.749 19852 6454 1 7 . 1 1 79 79 TYR C C 79 176.273 176.273 176.393 -0.120 19852 6455 1 7 . 1 1 79 79 TYR CA C 79 58.678 58.678 60.925 -2.247 19852 6456 1 7 . 1 1 79 79 TYR CB C 79 40.524 40.524 38.807 1.717 19852 6457 1 7 . 1 1 79 79 TYR H H 79 8.563 8.563 7.487 1.076 19852 6458 1 7 . 1 1 80 80 TYR N N 80 115.822 115.822 114.975 0.847 19852 6459 1 7 . 1 1 80 80 TYR C C 80 175.979 175.979 176.598 -0.619 19852 6460 1 7 . 1 1 80 80 TYR CA C 80 58.092 58.092 61.039 -2.947 19852 6461 1 7 . 1 1 80 80 TYR CB C 80 38.181 38.181 38.511 -0.330 19852 6462 1 7 . 1 1 80 80 TYR H H 80 7.194 7.194 7.401 -0.207 19852 6463 1 7 . 1 1 81 81 ILE N N 81 120.072 120.072 118.671 1.401 19852 6464 1 7 . 1 1 81 81 ILE C C 81 177.445 177.445 175.907 1.538 19852 6465 1 7 . 1 1 81 81 ILE CA C 81 67.462 67.462 63.812 3.650 19852 6466 1 7 . 1 1 81 81 ILE CB C 81 41.109 41.109 37.940 3.169 19852 6467 1 7 . 1 1 81 81 ILE H H 81 8.837 8.837 7.964 0.873 19852 6468 1 7 . 1 1 82 82 GLN N N 82 109.580 109.580 118.907 -9.327 19852 6469 1 7 . 1 1 82 82 GLN C C 82 177.152 177.152 174.406 2.746 19852 6470 1 7 . 1 1 82 82 GLN CA C 82 56.336 56.336 56.487 -0.151 19852 6471 1 7 . 1 1 82 82 GLN CB C 82 24.126 24.126 25.664 -1.538 19852 6472 1 7 . 1 1 82 82 GLN H H 82 8.493 8.493 8.809 -0.316 19852 6473 1 7 . 1 1 83 83 ALA N N 83 109.713 109.713 120.547 -10.834 19852 6474 1 7 . 1 1 83 83 ALA C C 83 175.979 175.979 177.005 -1.026 19852 6475 1 7 . 1 1 83 83 ALA CA C 83 54.579 54.579 52.631 1.948 19852 6476 1 7 . 1 1 83 83 ALA CB C 83 16.513 16.513 19.309 -2.796 19852 6477 1 7 . 1 1 83 83 ALA H H 83 6.306 6.306 7.318 -1.012 19852 6478 1 7 . 1 1 84 84 GLN N N 84 131.380 131.380 123.244 8.136 19852 6479 1 7 . 1 1 84 84 GLN C C 84 175.686 175.686 176.186 -0.500 19852 6480 1 7 . 1 1 84 84 GLN CA C 84 51.065 51.065 57.050 -5.984 19852 6481 1 7 . 1 1 84 84 GLN CB C 84 32.325 32.325 31.223 1.102 19852 6482 1 7 . 1 1 84 84 GLN H H 84 11.169 11.169 8.528 2.641 19852 6483 1 7 . 1 1 85 85 CYS N N 85 124.322 124.322 112.623 11.699 19852 6484 1 7 . 1 1 85 85 CYS C C 85 173.049 173.049 172.741 0.308 19852 6485 1 7 . 1 1 85 85 CYS CA C 85 57.507 57.507 55.884 1.623 19852 6486 1 7 . 1 1 85 85 CYS CB C 85 35.253 35.253 31.870 3.383 19852 6487 1 7 . 1 1 85 85 CYS H H 85 8.602 8.602 8.145 0.457 19852 6488 1 7 . 1 1 86 86 ALA N N 86 114.295 114.295 122.174 -7.879 19852 6489 1 7 . 1 1 86 86 ALA CA C 86 57.507 57.507 50.791 6.716 19852 6490 1 7 . 1 1 86 86 ALA CB C 86 21.784 21.784 22.680 -0.896 19852 6491 1 7 . 1 1 86 86 ALA H H 86 6.897 6.897 8.859 -1.962 19852 6492 1 7 . 1 1 87 87 ILE N N 87 120.670 120.670 121.190 -0.520 19852 6493 1 7 . 1 1 87 87 ILE C C 87 173.928 173.928 174.702 -0.774 19852 6494 1 7 . 1 1 87 87 ILE CA C 87 61.020 61.020 59.904 1.116 19852 6495 1 7 . 1 1 87 87 ILE CB C 87 39.938 39.938 41.230 -1.292 19852 6496 1 7 . 1 1 87 87 ILE H H 87 8.282 8.282 8.644 -0.362 19852 6497 1 7 . 1 1 88 88 ILE N N 88 120.205 120.205 127.212 -7.007 19852 6498 1 7 . 1 1 88 88 ILE C C 88 173.635 173.635 175.059 -1.424 19852 6499 1 7 . 1 1 88 88 ILE CA C 88 64.534 64.534 60.060 4.474 19852 6500 1 7 . 1 1 88 88 ILE CB C 88 37.596 37.596 40.058 -2.462 19852 6501 1 7 . 1 1 88 88 ILE H H 88 5.528 5.528 8.921 -3.393 19852 6502 1 7 . 1 1 89 89 MET N N 89 119.209 119.209 126.380 -7.171 19852 6503 1 7 . 1 1 89 89 MET C C 89 176.566 176.566 175.472 1.094 19852 6504 1 7 . 1 1 89 89 MET CA C 89 56.921 56.921 54.328 2.593 19852 6505 1 7 . 1 1 89 89 MET CB C 89 34.668 34.668 34.680 -0.012 19852 6506 1 7 . 1 1 89 89 MET H H 89 8.164 8.164 8.892 -0.728 19852 6507 1 7 . 1 1 90 90 PHE N N 90 121.134 121.134 118.498 2.636 19852 6508 1 7 . 1 1 90 90 PHE C C 90 175.393 175.393 173.310 2.083 19852 6509 1 7 . 1 1 90 90 PHE CA C 90 60.435 60.435 55.425 5.010 19852 6510 1 7 . 1 1 90 90 PHE CB C 90 38.767 38.767 42.469 -3.702 19852 6511 1 7 . 1 1 90 90 PHE H H 90 9.334 9.334 8.823 0.511 19852 6512 1 7 . 1 1 91 91 ASP N N 91 125.185 125.185 121.048 4.137 19852 6513 1 7 . 1 1 91 91 ASP C C 91 176.566 176.566 177.854 -1.288 19852 6514 1 7 . 1 1 91 91 ASP CA C 91 52.822 52.822 52.270 0.551 19852 6515 1 7 . 1 1 91 91 ASP CB C 91 39.938 39.938 43.062 -3.124 19852 6516 1 7 . 1 1 91 91 ASP H H 91 9.056 9.056 8.827 0.229 19852 6517 1 7 . 1 1 92 92 VAL N N 92 115.158 115.158 123.478 -8.320 19852 6518 1 7 . 1 1 92 92 VAL C C 92 173.342 173.342 176.741 -3.399 19852 6519 1 7 . 1 1 92 92 VAL CA C 92 64.534 64.534 65.082 -0.548 19852 6520 1 7 . 1 1 92 92 VAL CB C 92 37.596 37.596 31.389 6.207 19852 6521 1 7 . 1 1 92 92 VAL H H 92 7.738 7.738 8.580 -0.842 19852 6522 1 7 . 1 1 93 93 THR N N 93 112.302 112.302 110.549 1.753 19852 6523 1 7 . 1 1 93 93 THR C C 93 177.152 177.152 174.852 2.300 19852 6524 1 7 . 1 1 93 93 THR CA C 93 64.534 64.534 63.533 1.001 19852 6525 1 7 . 1 1 93 93 THR CB C 93 72.147 72.147 69.196 2.951 19852 6526 1 7 . 1 1 93 93 THR H H 93 7.269 7.269 8.183 -0.914 19852 6527 1 7 . 1 1 94 94 SER N N 94 122.263 122.263 116.401 5.862 19852 6528 1 7 . 1 1 94 94 SER C C 94 163.965 163.965 174.944 -10.979 19852 6529 1 7 . 1 1 94 94 SER CA C 94 59.849 59.849 55.547 4.302 19852 6530 1 7 . 1 1 94 94 SER CB C 94 62.192 62.192 64.158 -1.966 19852 6531 1 7 . 1 1 94 94 SER H H 94 7.628 7.628 7.799 -0.171 19852 6532 1 7 . 1 1 95 95 ARG N N 95 113.099 113.099 128.407 -15.308 19852 6533 1 7 . 1 1 95 95 ARG C C 95 176.273 176.273 177.843 -1.570 19852 6534 1 7 . 1 1 95 95 ARG CA C 95 53.407 53.407 59.527 -6.120 19852 6535 1 7 . 1 1 95 95 ARG CB C 95 31.154 31.154 29.995 1.159 19852 6536 1 7 . 1 1 95 95 ARG H H 95 8.102 8.102 9.039 -0.937 19852 6537 1 7 . 1 1 96 96 VAL N N 96 124.787 124.787 119.260 5.527 19852 6538 1 7 . 1 1 96 96 VAL C C 96 178.031 178.031 177.687 0.344 19852 6539 1 7 . 1 1 96 96 VAL CA C 96 68.634 68.634 66.414 2.220 19852 6540 1 7 . 1 1 96 96 VAL CB C 96 24.126 24.126 31.324 -7.198 19852 6541 1 7 . 1 1 96 96 VAL H H 96 9.146 9.146 8.078 1.068 19852 6542 1 7 . 1 1 97 97 THR N N 97 111.970 111.970 116.098 -4.128 19852 6543 1 7 . 1 1 97 97 THR C C 97 178.031 178.031 176.045 1.986 19852 6544 1 7 . 1 1 97 97 THR CA C 97 63.949 63.949 66.440 -2.491 19852 6545 1 7 . 1 1 97 97 THR CB C 97 70.390 70.390 68.907 1.483 19852 6546 1 7 . 1 1 97 97 THR H H 97 7.984 7.984 7.612 0.372 19852 6547 1 7 . 1 1 98 98 TYR N N 98 113.232 113.232 121.199 -7.967 19852 6548 1 7 . 1 1 98 98 TYR C C 98 176.273 176.273 177.613 -1.340 19852 6549 1 7 . 1 1 98 98 TYR H H 98 7.605 7.605 7.579 0.026 19852 6550 1 7 . 1 1 99 99 LYS N N 99 121.998 121.998 118.783 3.215 19852 6551 1 7 . 1 1 99 99 LYS C C 99 174.221 174.221 178.291 -4.070 19852 6552 1 7 . 1 1 99 99 LYS CA C 99 59.264 59.264 59.305 -0.041 19852 6553 1 7 . 1 1 99 99 LYS CB C 99 34.668 34.668 32.037 2.631 19852 6554 1 7 . 1 1 99 99 LYS H H 99 8.129 8.129 7.872 0.257 19852 6555 1 7 . 1 1 100 100 ASN N N 100 111.970 111.970 115.890 -3.920 19852 6556 1 7 . 1 1 100 100 ASN C C 100 175.979 175.979 176.567 -0.588 19852 6557 1 7 . 1 1 100 100 ASN CA C 100 53.407 53.407 54.574 -1.167 19852 6558 1 7 . 1 1 100 100 ASN CB C 100 37.596 37.596 38.422 -0.826 19852 6559 1 7 . 1 1 100 100 ASN H H 100 5.778 5.778 7.822 -2.044 19852 6560 1 7 . 1 1 101 101 VAL N N 101 118.877 118.877 121.808 -2.931 19852 6561 1 7 . 1 1 101 101 VAL C C 101 173.635 173.635 175.037 -1.402 19852 6562 1 7 . 1 1 101 101 VAL CA C 101 62.777 62.777 68.379 -5.602 19852 6563 1 7 . 1 1 101 101 VAL CB C 101 27.054 27.054 29.409 -2.354 19852 6564 1 7 . 1 1 101 101 VAL H H 101 7.370 7.370 7.403 -0.033 19852 6565 1 7 . 1 1 102 102 PRO C C 102 176.566 176.566 178.396 -1.830 19852 6566 1 7 . 1 1 102 102 PRO CA C 102 62.500 62.500 66.290 -3.790 19852 6567 1 7 . 1 1 102 102 PRO CB C 102 30.853 30.853 30.864 -0.011 19852 6568 1 7 . 1 1 103 103 ASN N N 103 122.728 122.728 117.013 5.715 19852 6569 1 7 . 1 1 103 103 ASN C C 103 175.100 175.100 177.498 -2.398 19852 6570 1 7 . 1 1 103 103 ASN CA C 103 54.579 54.579 55.776 -1.196 19852 6571 1 7 . 1 1 103 103 ASN CB C 103 38.767 38.767 37.466 1.301 19852 6572 1 7 . 1 1 103 103 ASN H H 103 7.879 7.879 7.504 0.375 19852 6573 1 7 . 1 1 104 104 TRP N N 104 132.158 132.158 120.975 11.183 19852 6574 1 7 . 1 1 104 104 TRP C C 104 176.273 176.273 179.144 -2.871 19852 6575 1 7 . 1 1 104 104 TRP CA C 104 60.435 60.435 60.678 -0.243 19852 6576 1 7 . 1 1 104 104 TRP CB C 104 29.983 29.983 29.360 0.623 19852 6577 1 7 . 1 1 104 104 TRP H H 104 9.541 9.541 7.839 1.702 19852 6578 1 7 . 1 1 105 105 HIS N N 105 120.869 120.869 118.754 2.115 19852 6579 1 7 . 1 1 105 105 HIS C C 105 177.738 177.738 177.676 0.062 19852 6580 1 7 . 1 1 105 105 HIS H H 105 6.971 6.971 8.693 -1.722 19852 6581 1 7 . 1 1 106 106 ARG N N 106 126.314 126.314 118.789 7.525 19852 6582 1 7 . 1 1 106 106 ARG C C 106 176.566 176.566 178.672 -2.106 19852 6583 1 7 . 1 1 106 106 ARG CA C 106 62.777 62.777 60.008 2.769 19852 6584 1 7 . 1 1 106 106 ARG CB C 106 29.397 29.397 30.049 -0.652 19852 6585 1 7 . 1 1 106 106 ARG H H 106 7.507 7.507 8.333 -0.826 19852 6586 1 7 . 1 1 107 107 ASP N N 107 119.076 119.076 120.292 -1.216 19852 6587 1 7 . 1 1 107 107 ASP C C 107 176.566 176.566 178.368 -1.802 19852 6588 1 7 . 1 1 107 107 ASP CA C 107 55.164 55.164 57.071 -1.907 19852 6589 1 7 . 1 1 107 107 ASP CB C 107 41.695 41.695 40.375 1.320 19852 6590 1 7 . 1 1 107 107 ASP H H 107 9.076 9.076 7.911 1.165 19852 6591 1 7 . 1 1 108 108 LEU N N 108 113.299 113.299 121.270 -7.971 19852 6592 1 7 . 1 1 108 108 LEU C C 108 176.273 176.273 177.890 -1.617 19852 6593 1 7 . 1 1 108 108 LEU CA C 108 59.264 59.264 57.736 1.528 19852 6594 1 7 . 1 1 108 108 LEU CB C 108 48.722 48.722 41.751 6.971 19852 6595 1 7 . 1 1 108 108 LEU H H 108 6.725 6.725 7.854 -1.129 19852 6596 1 7 . 1 1 109 109 VAL N N 109 121.267 121.267 119.139 2.128 19852 6597 1 7 . 1 1 109 109 VAL C C 109 175.393 175.393 178.156 -2.763 19852 6598 1 7 . 1 1 109 109 VAL CA C 109 63.949 63.949 66.118 -2.169 19852 6599 1 7 . 1 1 109 109 VAL CB C 109 32.911 32.911 31.319 1.592 19852 6600 1 7 . 1 1 109 109 VAL H H 109 8.763 8.763 8.011 0.752 19852 6601 1 7 . 1 1 110 110 ARG N N 110 112.900 112.900 118.010 -5.110 19852 6602 1 7 . 1 1 110 110 ARG C C 110 176.273 176.273 178.222 -1.949 19852 6603 1 7 . 1 1 110 110 ARG CA C 110 57.507 57.507 58.915 -1.408 19852 6604 1 7 . 1 1 110 110 ARG CB C 110 30.568 30.568 30.271 0.297 19852 6605 1 7 . 1 1 110 110 ARG H H 110 7.241 7.241 7.687 -0.446 19852 6606 1 7 . 1 1 111 111 VAL N N 111 115.556 115.556 116.925 -1.369 19852 6607 1 7 . 1 1 111 111 VAL C C 111 177.445 177.445 176.344 1.101 19852 6608 1 7 . 1 1 111 111 VAL CA C 111 59.849 59.849 65.411 -5.562 19852 6609 1 7 . 1 1 111 111 VAL CB C 111 32.911 32.911 32.506 0.405 19852 6610 1 7 . 1 1 111 111 VAL H H 111 7.566 7.566 7.439 0.127 19852 6611 1 7 . 1 1 112 112 CYS N N 112 114.295 114.295 119.628 -5.333 19852 6612 1 7 . 1 1 112 112 CYS C C 112 169.826 169.826 173.278 -3.452 19852 6613 1 7 . 1 1 112 112 CYS CA C 112 57.507 57.507 57.846 -0.339 19852 6614 1 7 . 1 1 112 112 CYS CB C 112 35.839 35.839 29.386 6.453 19852 6615 1 7 . 1 1 112 112 CYS H H 112 7.425 7.425 8.178 -0.753 19852 6616 1 7 . 1 1 113 113 GLU N N 113 116.486 116.486 125.621 -9.135 19852 6617 1 7 . 1 1 113 113 GLU C C 113 176.566 176.566 175.615 0.951 19852 6618 1 7 . 1 1 113 113 GLU CA C 113 69.219 69.219 56.527 12.692 19852 6619 1 7 . 1 1 113 113 GLU CB C 113 30.568 30.568 30.547 0.021 19852 6620 1 7 . 1 1 113 113 GLU H H 113 7.241 7.241 8.656 -1.415 19852 6621 1 7 . 1 1 114 114 ASN N N 114 129.302 129.302 116.221 13.081 19852 6622 1 7 . 1 1 114 114 ASN C C 114 175.100 175.100 174.190 0.910 19852 6623 1 7 . 1 1 114 114 ASN CA C 114 52.236 52.236 54.044 -1.808 19852 6624 1 7 . 1 1 114 114 ASN CB C 114 39.938 39.938 37.530 2.408 19852 6625 1 7 . 1 1 114 114 ASN H H 114 8.919 8.919 8.587 0.332 19852 6626 1 7 . 1 1 115 115 ILE N N 115 110.443 110.443 121.034 -10.591 19852 6627 1 7 . 1 1 115 115 ILE C C 115 175.100 175.100 174.360 0.740 19852 6628 1 7 . 1 1 115 115 ILE CA C 115 65.705 65.705 57.012 8.693 19852 6629 1 7 . 1 1 115 115 ILE CB C 115 39.353 39.353 38.545 0.808 19852 6630 1 7 . 1 1 115 115 ILE H H 115 9.287 9.287 8.114 1.173 19852 6631 1 7 . 1 1 116 116 PRO C C 116 175.979 175.979 175.592 0.387 19852 6632 1 7 . 1 1 116 116 PRO CA C 116 63.086 63.086 62.946 0.140 19852 6633 1 7 . 1 1 116 116 PRO CB C 116 29.681 29.681 32.473 -2.792 19852 6634 1 7 . 1 1 117 117 ILE N N 117 123.591 123.591 123.508 0.083 19852 6635 1 7 . 1 1 117 117 ILE C C 117 174.807 174.807 175.202 -0.395 19852 6636 1 7 . 1 1 117 117 ILE CA C 117 66.291 66.291 60.174 6.117 19852 6637 1 7 . 1 1 117 117 ILE CB C 117 38.767 38.767 42.289 -3.522 19852 6638 1 7 . 1 1 117 117 ILE H H 117 7.781 7.781 8.559 -0.778 19852 6639 1 7 . 1 1 118 118 VAL N N 118 119.009 119.009 125.632 -6.623 19852 6640 1 7 . 1 1 118 118 VAL C C 118 178.324 178.324 174.606 3.718 19852 6641 1 7 . 1 1 118 118 VAL CA C 118 62.777 62.777 60.853 1.923 19852 6642 1 7 . 1 1 118 118 VAL CB C 118 31.154 31.154 33.901 -2.748 19852 6643 1 7 . 1 1 118 118 VAL H H 118 8.767 8.767 8.644 0.123 19852 6644 1 7 . 1 1 119 119 LEU N N 119 119.408 119.408 126.542 -7.134 19852 6645 1 7 . 1 1 119 119 LEU C C 119 178.031 178.031 176.174 1.857 19852 6646 1 7 . 1 1 119 119 LEU CA C 119 42.866 42.866 53.453 -10.587 19852 6647 1 7 . 1 1 119 119 LEU CB C 119 38.767 38.767 43.821 -5.054 19852 6648 1 7 . 1 1 119 119 LEU H H 119 7.734 7.734 9.035 -1.301 19852 6649 1 7 . 1 1 120 120 CYS N N 120 113.232 113.232 121.924 -8.692 19852 6650 1 7 . 1 1 120 120 CYS C C 120 178.031 178.031 174.222 3.809 19852 6651 1 7 . 1 1 120 120 CYS H H 120 8.317 8.317 9.044 -0.727 19852 6652 1 7 . 1 1 121 121 GLY N N 121 117.349 117.349 112.625 4.724 19852 6653 1 7 . 1 1 121 121 GLY C C 121 176.851 176.851 173.137 3.714 19852 6654 1 7 . 1 1 121 121 GLY CA C 121 41.109 41.109 43.460 -2.351 19852 6655 1 7 . 1 1 121 121 GLY H H 121 7.515 7.515 8.666 -1.151 19852 6656 1 7 . 1 1 122 122 ASN N N 122 125.318 125.318 125.699 -0.381 19852 6657 1 7 . 1 1 122 122 ASN C C 122 175.686 175.686 175.670 0.016 19852 6658 1 7 . 1 1 122 122 ASN CA C 122 50.479 50.479 53.015 -2.536 19852 6659 1 7 . 1 1 122 122 ASN CB C 122 39.353 39.353 40.504 -1.151 19852 6660 1 7 . 1 1 122 122 ASN H H 122 9.162 9.162 8.605 0.557 19852 6661 1 7 . 1 1 123 123 LYS N N 123 124.920 124.920 115.536 9.384 19852 6662 1 7 . 1 1 123 123 LYS C C 123 176.566 176.566 177.298 -0.732 19852 6663 1 7 . 1 1 123 123 LYS CA C 123 70.976 70.976 57.371 13.605 19852 6664 1 7 . 1 1 123 123 LYS CB C 123 35.253 35.253 30.290 4.963 19852 6665 1 7 . 1 1 123 123 LYS H H 123 8.086 8.086 8.834 -0.748 19852 6666 1 7 . 1 1 124 124 VAL N N 124 125.517 125.517 112.639 12.878 19852 6667 1 7 . 1 1 124 124 VAL C C 124 177.738 177.738 176.465 1.273 19852 6668 1 7 . 1 1 124 124 VAL CA C 124 62.777 62.777 64.027 -1.250 19852 6669 1 7 . 1 1 124 124 VAL CB C 124 33.496 33.496 31.322 2.174 19852 6670 1 7 . 1 1 124 124 VAL H H 124 9.483 9.483 7.591 1.892 19852 6671 1 7 . 1 1 125 125 ASP N N 125 119.607 119.607 120.605 -0.998 19852 6672 1 7 . 1 1 125 125 ASP C C 125 176.566 176.566 176.786 -0.220 19852 6673 1 7 . 1 1 125 125 ASP CA C 125 55.750 55.750 56.736 -0.986 19852 6674 1 7 . 1 1 125 125 ASP CB C 125 40.524 40.524 40.726 -0.202 19852 6675 1 7 . 1 1 125 125 ASP H H 125 7.875 7.875 7.670 0.205 19852 6676 1 7 . 1 1 126 126 ILE N N 126 116.088 116.088 120.283 -4.195 19852 6677 1 7 . 1 1 126 126 ILE C C 126 177.152 177.152 176.971 0.181 19852 6678 1 7 . 1 1 126 126 ILE CA C 126 66.291 66.291 61.787 4.504 19852 6679 1 7 . 1 1 126 126 ILE CB C 126 39.353 39.353 38.426 0.927 19852 6680 1 7 . 1 1 126 126 ILE H H 126 7.511 7.511 7.345 0.166 19852 6681 1 7 . 1 1 127 127 LYS N N 127 117.681 117.681 124.871 -7.190 19852 6682 1 7 . 1 1 127 127 LYS C C 127 177.152 177.152 176.904 0.248 19852 6683 1 7 . 1 1 127 127 LYS CA C 127 57.507 57.507 58.580 -1.073 19852 6684 1 7 . 1 1 127 127 LYS CB C 127 31.154 31.154 32.681 -1.526 19852 6685 1 7 . 1 1 127 127 LYS H H 127 8.059 8.059 8.476 -0.417 19852 6686 1 7 . 1 1 128 128 ASP N N 128 118.279 118.279 119.327 -1.048 19852 6687 1 7 . 1 1 128 128 ASP C C 128 176.566 176.566 175.081 1.485 19852 6688 1 7 . 1 1 128 128 ASP CA C 128 53.407 53.407 53.247 0.160 19852 6689 1 7 . 1 1 128 128 ASP CB C 128 40.524 40.524 40.147 0.377 19852 6690 1 7 . 1 1 128 128 ASP H H 128 7.241 7.241 8.062 -0.821 19852 6691 1 7 . 1 1 129 129 ARG N N 129 118.943 118.943 125.421 -6.478 19852 6692 1 7 . 1 1 129 129 ARG C C 129 177.738 177.738 175.637 2.101 19852 6693 1 7 . 1 1 129 129 ARG CA C 129 45.794 45.794 56.051 -10.257 19852 6694 1 7 . 1 1 129 129 ARG CB C 129 31.154 31.154 30.856 0.298 19852 6695 1 7 . 1 1 129 129 ARG H H 129 8.423 8.423 8.038 0.385 19852 6696 1 7 . 1 1 130 130 LYS N N 130 109.381 109.381 124.955 -15.574 19852 6697 1 7 . 1 1 130 130 LYS C C 130 176.566 176.566 176.285 0.281 19852 6698 1 7 . 1 1 130 130 LYS CA C 130 55.164 55.164 57.402 -2.238 19852 6699 1 7 . 1 1 130 130 LYS CB C 130 36.424 36.424 33.654 2.769 19852 6700 1 7 . 1 1 130 130 LYS H H 130 7.296 7.296 8.458 -1.162 19852 6701 1 7 . 1 1 131 131 VAL N N 131 110.377 110.377 120.599 -10.222 19852 6702 1 7 . 1 1 131 131 VAL C C 131 178.617 178.617 174.864 3.753 19852 6703 1 7 . 1 1 131 131 VAL CA C 131 65.705 65.705 62.134 3.571 19852 6704 1 7 . 1 1 131 131 VAL CB C 131 35.839 35.839 31.429 4.410 19852 6705 1 7 . 1 1 131 131 VAL H H 131 9.283 9.283 8.217 1.066 19852 6706 1 7 . 1 1 132 132 LYS N N 132 110.310 110.310 127.254 -16.944 19852 6707 1 7 . 1 1 132 132 LYS C C 132 176.273 176.273 177.749 -1.476 19852 6708 1 7 . 1 1 132 132 LYS CA C 132 59.849 59.849 54.479 5.370 19852 6709 1 7 . 1 1 132 132 LYS CB C 132 35.253 35.253 34.497 0.756 19852 6710 1 7 . 1 1 132 132 LYS H H 132 9.709 9.709 7.581 2.128 19852 6711 1 7 . 1 1 133 133 ALA N N 133 134.349 134.349 123.352 10.997 19852 6712 1 7 . 1 1 133 133 ALA CA C 133 51.065 51.065 55.254 -4.189 19852 6713 1 7 . 1 1 133 133 ALA CB C 133 12.999 12.999 18.589 -5.590 19852 6714 1 7 . 1 1 133 133 ALA H H 133 6.322 6.322 8.798 -2.476 19852 6715 1 7 . 1 1 134 134 LYS N N 134 117.615 117.615 116.955 0.660 19852 6716 1 7 . 1 1 134 134 LYS C C 134 176.859 176.859 178.375 -1.516 19852 6717 1 7 . 1 1 134 134 LYS CA C 134 55.750 55.750 59.320 -3.570 19852 6718 1 7 . 1 1 134 134 LYS CB C 134 54.579 54.579 32.241 22.338 19852 6719 1 7 . 1 1 134 134 LYS H H 134 6.549 6.549 8.520 -1.971 19852 6720 1 7 . 1 1 135 135 SER N N 135 109.314 109.314 111.431 -2.117 19852 6721 1 7 . 1 1 135 135 SER C C 135 173.635 173.635 174.102 -0.467 19852 6722 1 7 . 1 1 135 135 SER CA C 135 56.336 56.336 57.571 -1.235 19852 6723 1 7 . 1 1 135 135 SER CB C 135 63.949 63.949 64.220 -0.271 19852 6724 1 7 . 1 1 135 135 SER H H 135 7.840 7.840 7.663 0.177 19852 6725 1 7 . 1 1 136 136 ILE N N 136 124.123 124.123 123.956 0.167 19852 6726 1 7 . 1 1 136 136 ILE C C 136 175.100 175.100 174.473 0.627 19852 6727 1 7 . 1 1 136 136 ILE CA C 136 68.634 68.634 61.421 7.213 19852 6728 1 7 . 1 1 136 136 ILE CB C 136 43.452 43.452 37.213 6.239 19852 6729 1 7 . 1 1 136 136 ILE H H 136 8.098 8.098 7.182 0.916 19852 6730 1 7 . 1 1 137 137 VAL N N 137 113.232 113.232 127.640 -14.408 19852 6731 1 7 . 1 1 137 137 VAL C C 137 176.859 176.859 176.762 0.097 19852 6732 1 7 . 1 1 137 137 VAL CA C 137 64.534 64.534 62.340 2.194 19852 6733 1 7 . 1 1 137 137 VAL CB C 137 34.082 34.082 32.243 1.839 19852 6734 1 7 . 1 1 137 137 VAL H H 137 7.711 7.711 8.389 -0.678 19852 6735 1 7 . 1 1 138 138 PHE N N 138 118.279 118.279 122.126 -3.847 19852 6736 1 7 . 1 1 138 138 PHE C C 138 175.393 175.393 176.273 -0.880 19852 6737 1 7 . 1 1 138 138 PHE CA C 138 58.092 58.092 61.772 -3.679 19852 6738 1 7 . 1 1 138 138 PHE CB C 138 39.353 39.353 38.955 0.398 19852 6739 1 7 . 1 1 138 138 PHE H H 138 8.317 8.317 8.161 0.156 19852 6740 1 7 . 1 1 139 139 HIS N N 139 107.654 107.654 115.988 -8.334 19852 6741 1 7 . 1 1 139 139 HIS C C 139 175.979 175.979 177.773 -1.794 19852 6742 1 7 . 1 1 139 139 HIS CA C 139 53.993 53.993 59.929 -5.936 19852 6743 1 7 . 1 1 139 139 HIS CB C 139 28.811 28.811 29.413 -0.602 19852 6744 1 7 . 1 1 139 139 HIS H H 139 8.016 8.016 8.241 -0.225 19852 6745 1 7 . 1 1 140 140 ARG N N 140 117.084 117.084 119.909 -2.825 19852 6746 1 7 . 1 1 140 140 ARG C C 140 176.859 176.859 178.929 -2.070 19852 6747 1 7 . 1 1 140 140 ARG CA C 140 57.507 57.507 59.562 -2.055 19852 6748 1 7 . 1 1 140 140 ARG CB C 140 31.739 31.739 30.099 1.640 19852 6749 1 7 . 1 1 140 140 ARG H H 140 8.763 8.763 7.699 1.064 19852 6750 1 7 . 1 1 141 141 LYS N N 141 115.623 115.623 118.883 -3.260 19852 6751 1 7 . 1 1 141 141 LYS C C 141 173.635 173.635 177.925 -4.290 19852 6752 1 7 . 1 1 141 141 LYS CA C 141 58.092 58.092 58.644 -0.552 19852 6753 1 7 . 1 1 141 141 LYS CB C 141 33.496 33.496 32.242 1.254 19852 6754 1 7 . 1 1 141 141 LYS H H 141 7.449 7.449 7.829 -0.380 19852 6755 1 7 . 1 1 142 142 LYS N N 142 114.162 114.162 114.966 -0.804 19852 6756 1 7 . 1 1 142 142 LYS C C 142 175.979 175.979 176.022 -0.043 19852 6757 1 7 . 1 1 142 142 LYS CA C 142 51.065 51.065 54.722 -3.658 19852 6758 1 7 . 1 1 142 142 LYS CB C 142 34.668 34.668 31.997 2.671 19852 6759 1 7 . 1 1 142 142 LYS H H 142 8.982 8.982 7.181 1.801 19852 6760 1 7 . 1 1 143 143 ASN N N 143 112.103 112.103 115.415 -3.312 19852 6761 1 7 . 1 1 143 143 ASN C C 143 175.100 175.100 173.747 1.353 19852 6762 1 7 . 1 1 143 143 ASN CA C 143 53.407 53.407 54.232 -0.825 19852 6763 1 7 . 1 1 143 143 ASN CB C 143 39.938 39.938 36.165 3.773 19852 6764 1 7 . 1 1 143 143 ASN H H 143 7.402 7.402 7.978 -0.576 19852 6765 1 7 . 1 1 144 144 LEU N N 144 118.810 118.810 116.396 2.414 19852 6766 1 7 . 1 1 144 144 LEU CA C 144 53.993 53.993 53.542 0.451 19852 6767 1 7 . 1 1 144 144 LEU CB C 144 42.866 42.866 43.522 -0.656 19852 6768 1 7 . 1 1 144 144 LEU H H 144 7.793 7.793 7.697 0.096 19852 6769 1 7 . 1 1 145 145 GLN N N 145 119.607 119.607 119.221 0.386 19852 6770 1 7 . 1 1 145 145 GLN C C 145 176.859 176.859 173.618 3.241 19852 6771 1 7 . 1 1 145 145 GLN CA C 145 55.164 55.164 53.711 1.453 19852 6772 1 7 . 1 1 145 145 GLN CB C 145 29.983 29.983 31.059 -1.076 19852 6773 1 7 . 1 1 145 145 GLN H H 145 7.014 7.014 7.512 -0.498 19852 6774 1 7 . 1 1 146 146 TYR N N 146 119.275 119.275 126.573 -7.298 19852 6775 1 7 . 1 1 146 146 TYR C C 146 174.807 174.807 174.178 0.629 19852 6776 1 7 . 1 1 146 146 TYR CA C 146 62.777 62.777 55.760 7.017 19852 6777 1 7 . 1 1 146 146 TYR CB C 146 41.109 41.109 40.102 1.007 19852 6778 1 7 . 1 1 146 146 TYR H H 146 9.350 9.350 8.181 1.169 19852 6779 1 7 . 1 1 147 147 TYR N N 147 123.658 123.658 125.339 -1.681 19852 6780 1 7 . 1 1 147 147 TYR C C 147 177.738 177.738 173.457 4.281 19852 6781 1 7 . 1 1 147 147 TYR CA C 147 58.092 58.092 56.385 1.707 19852 6782 1 7 . 1 1 147 147 TYR CB C 147 39.938 39.938 42.033 -2.095 19852 6783 1 7 . 1 1 147 147 TYR H H 147 8.340 8.340 8.150 0.190 19852 6784 1 7 . 1 1 148 148 ASP N N 148 121.267 121.267 123.619 -2.352 19852 6785 1 7 . 1 1 148 148 ASP C C 148 176.859 176.859 175.378 1.481 19852 6786 1 7 . 1 1 148 148 ASP CA C 148 54.579 54.579 54.688 -0.109 19852 6787 1 7 . 1 1 148 148 ASP CB C 148 41.109 41.109 41.620 -0.511 19852 6788 1 7 . 1 1 148 148 ASP H H 148 8.911 8.911 8.385 0.526 19852 6789 1 7 . 1 1 149 149 ILE N N 149 119.607 119.607 118.728 0.879 19852 6790 1 7 . 1 1 149 149 ILE C C 149 174.807 174.807 174.359 0.448 19852 6791 1 7 . 1 1 149 149 ILE CA C 149 61.020 61.020 59.449 1.571 19852 6792 1 7 . 1 1 149 149 ILE CB C 149 39.353 39.353 42.356 -3.003 19852 6793 1 7 . 1 1 149 149 ILE H H 149 8.712 8.712 8.634 0.078 19852 6794 1 7 . 1 1 150 150 SER N N 150 117.349 117.349 118.271 -0.922 19852 6795 1 7 . 1 1 150 150 SER C C 150 175.686 175.686 174.193 1.493 19852 6796 1 7 . 1 1 150 150 SER CA C 150 60.435 60.435 56.598 3.837 19852 6797 1 7 . 1 1 150 150 SER CB C 150 62.192 62.192 66.264 -4.072 19852 6798 1 7 . 1 1 150 150 SER H H 150 8.454 8.454 8.596 -0.142 19852 6799 1 7 . 1 1 151 151 ALA N N 151 131.162 131.162 129.923 1.239 19852 6800 1 7 . 1 1 151 151 ALA C C 151 160.742 160.742 179.386 -18.644 19852 6801 1 7 . 1 1 151 151 ALA CA C 151 53.993 53.993 55.224 -1.231 19852 6802 1 7 . 1 1 151 151 ALA CB C 151 22.369 22.369 18.746 3.623 19852 6803 1 7 . 1 1 151 151 ALA H H 151 10.640 10.640 8.953 1.687 19852 6804 1 7 . 1 1 152 152 LYS N N 152 121.400 121.400 118.443 2.957 19852 6805 1 7 . 1 1 152 152 LYS C C 152 174.221 174.221 177.991 -3.770 19852 6806 1 7 . 1 1 152 152 LYS CA C 152 59.849 59.849 59.537 0.312 19852 6807 1 7 . 1 1 152 152 LYS CB C 152 34.668 34.668 32.343 2.325 19852 6808 1 7 . 1 1 152 152 LYS H H 152 9.099 9.099 8.709 0.390 19852 6809 1 7 . 1 1 153 153 SER N N 153 115.212 115.212 111.171 4.041 19852 6810 1 7 . 1 1 153 153 SER C C 153 177.152 177.152 174.395 2.757 19852 6811 1 7 . 1 1 153 153 SER CA C 153 62.192 62.192 58.243 3.949 19852 6812 1 7 . 1 1 153 153 SER CB C 153 66.291 66.291 63.893 2.398 19852 6813 1 7 . 1 1 153 153 SER H H 153 8.935 8.935 7.919 1.016 19852 6814 1 7 . 1 1 154 154 ASN N N 154 119.341 119.341 116.306 3.035 19852 6815 1 7 . 1 1 154 154 ASN C C 154 175.979 175.979 174.008 1.971 19852 6816 1 7 . 1 1 154 154 ASN CA C 154 49.894 49.894 54.698 -4.804 19852 6817 1 7 . 1 1 154 154 ASN CB C 154 39.353 39.353 36.733 2.620 19852 6818 1 7 . 1 1 154 154 ASN H H 154 7.488 7.488 7.825 -0.337 19852 6819 1 7 . 1 1 155 155 TYR N N 155 113.498 113.498 123.295 -9.797 19852 6820 1 7 . 1 1 155 155 TYR C C 155 173.928 173.928 175.203 -1.275 19852 6821 1 7 . 1 1 155 155 TYR CA C 155 56.336 56.336 59.793 -3.457 19852 6822 1 7 . 1 1 155 155 TYR CB C 155 37.596 37.596 38.914 -1.318 19852 6823 1 7 . 1 1 155 155 TYR H H 155 6.486 6.486 8.139 -1.653 19852 6824 1 7 . 1 1 156 156 ASN N N 156 122.396 122.396 122.175 0.221 19852 6825 1 7 . 1 1 156 156 ASN C C 156 175.979 175.979 174.343 1.636 19852 6826 1 7 . 1 1 156 156 ASN CA C 156 51.651 51.651 54.281 -2.630 19852 6827 1 7 . 1 1 156 156 ASN CB C 156 38.767 38.767 36.048 2.719 19852 6828 1 7 . 1 1 156 156 ASN H H 156 8.352 8.352 8.792 -0.440 19852 6829 1 7 . 1 1 157 157 PHE N N 157 123.459 123.459 119.395 4.064 19852 6830 1 7 . 1 1 157 157 PHE C C 157 174.221 174.221 176.620 -2.399 19852 6831 1 7 . 1 1 157 157 PHE CA C 157 57.507 57.507 60.847 -3.340 19852 6832 1 7 . 1 1 157 157 PHE CB C 157 39.353 39.353 39.439 -0.086 19852 6833 1 7 . 1 1 157 157 PHE H H 157 7.429 7.429 7.587 -0.158 19852 6834 1 7 . 1 1 158 158 GLU N N 158 112.568 112.568 118.843 -6.275 19852 6835 1 7 . 1 1 158 158 GLU C C 158 176.566 176.566 178.338 -1.772 19852 6836 1 7 . 1 1 158 158 GLU CA C 158 72.147 72.147 59.713 12.434 19852 6837 1 7 . 1 1 158 158 GLU CB C 158 27.640 27.640 29.090 -1.450 19852 6838 1 7 . 1 1 158 158 GLU H H 158 7.495 7.495 8.908 -1.413 19852 6839 1 7 . 1 1 159 159 LYS N N 159 113.232 113.232 118.576 -5.344 19852 6840 1 7 . 1 1 159 159 LYS C C 159 176.566 176.566 175.956 0.610 19852 6841 1 7 . 1 1 159 159 LYS CA C 159 53.993 53.993 60.657 -6.665 19852 6842 1 7 . 1 1 159 159 LYS CB C 159 33.496 33.496 30.028 3.468 19852 6843 1 7 . 1 1 159 159 LYS H H 159 6.862 6.862 8.234 -1.372 19852 6844 1 7 . 1 1 160 160 PRO C C 160 176.273 176.273 178.515 -2.242 19852 6845 1 7 . 1 1 160 160 PRO CA C 160 64.258 64.258 65.625 -1.367 19852 6846 1 7 . 1 1 160 160 PRO CB C 160 32.318 32.318 31.095 1.223 19852 6847 1 7 . 1 1 161 161 PHE N N 161 120.271 120.271 115.987 4.284 19852 6848 1 7 . 1 1 161 161 PHE C C 161 175.100 175.100 177.652 -2.552 19852 6849 1 7 . 1 1 161 161 PHE CA C 161 56.336 56.336 61.909 -5.573 19852 6850 1 7 . 1 1 161 161 PHE CB C 161 39.353 39.353 37.696 1.657 19852 6851 1 7 . 1 1 161 161 PHE H H 161 8.074 8.074 7.152 0.922 19852 6852 1 7 . 1 1 162 162 LEU N N 162 110.177 110.177 119.475 -9.298 19852 6853 1 7 . 1 1 162 162 LEU C C 162 176.273 176.273 178.543 -2.270 19852 6854 1 7 . 1 1 162 162 LEU CA C 162 55.750 55.750 57.954 -2.204 19852 6855 1 7 . 1 1 162 162 LEU CB C 162 44.037 44.037 41.209 2.828 19852 6856 1 7 . 1 1 162 162 LEU H H 162 7.527 7.527 8.031 -0.504 19852 6857 1 7 . 1 1 163 163 TRP N N 163 123.525 123.525 120.975 2.550 19852 6858 1 7 . 1 1 163 163 TRP C C 163 177.152 177.152 178.111 -0.959 19852 6859 1 7 . 1 1 163 163 TRP CA C 163 61.606 61.606 62.063 -0.457 19852 6860 1 7 . 1 1 163 163 TRP CB C 163 28.811 28.811 29.585 -0.774 19852 6861 1 7 . 1 1 163 163 TRP H H 163 7.476 7.476 7.947 -0.471 19852 6862 1 7 . 1 1 164 164 LEU N N 164 119.740 119.740 119.047 0.693 19852 6863 1 7 . 1 1 164 164 LEU C C 164 175.686 175.686 179.029 -3.343 19852 6864 1 7 . 1 1 164 164 LEU CA C 164 61.020 61.020 57.964 3.056 19852 6865 1 7 . 1 1 164 164 LEU CB C 164 45.794 45.794 41.456 4.338 19852 6866 1 7 . 1 1 164 164 LEU H H 164 9.412 9.412 8.126 1.286 19852 6867 1 7 . 1 1 165 165 ALA N N 165 118.013 118.013 121.555 -3.542 19852 6868 1 7 . 1 1 165 165 ALA C C 165 165.723 165.723 179.652 -13.929 19852 6869 1 7 . 1 1 165 165 ALA CA C 165 52.236 52.236 55.374 -3.138 19852 6870 1 7 . 1 1 165 165 ALA CB C 165 21.784 21.784 18.312 3.472 19852 6871 1 7 . 1 1 165 165 ALA H H 165 7.707 7.707 8.493 -0.786 19852 6872 1 7 . 1 1 166 166 ARG N N 166 122.994 122.994 118.496 4.498 19852 6873 1 7 . 1 1 166 166 ARG C C 166 175.979 175.979 178.826 -2.847 19852 6874 1 7 . 1 1 166 166 ARG CA C 166 49.308 49.308 59.337 -10.029 19852 6875 1 7 . 1 1 166 166 ARG CB C 166 29.397 29.397 30.178 -0.781 19852 6876 1 7 . 1 1 166 166 ARG H H 166 8.692 8.692 8.241 0.451 19852 6877 1 7 . 1 1 167 167 LYS N N 167 112.568 112.568 120.287 -7.719 19852 6878 1 7 . 1 1 167 167 LYS C C 167 176.273 176.273 179.268 -2.995 19852 6879 1 7 . 1 1 167 167 LYS CA C 167 58.092 58.092 59.020 -0.928 19852 6880 1 7 . 1 1 167 167 LYS CB C 167 34.668 34.668 31.864 2.804 19852 6881 1 7 . 1 1 167 167 LYS H H 167 6.819 6.819 7.554 -0.735 19852 6882 1 7 . 1 1 168 168 LEU N N 168 114.959 114.959 119.715 -4.756 19852 6883 1 7 . 1 1 168 168 LEU C C 168 177.738 177.738 178.990 -1.252 19852 6884 1 7 . 1 1 168 168 LEU CA C 168 56.921 56.921 57.597 -0.676 19852 6885 1 7 . 1 1 168 168 LEU CB C 168 41.695 41.695 41.704 -0.009 19852 6886 1 7 . 1 1 168 168 LEU H H 168 7.269 7.269 7.868 -0.599 19852 6887 1 7 . 1 1 169 169 ILE N N 169 124.986 124.986 115.808 9.178 19852 6888 1 7 . 1 1 169 169 ILE C C 169 171.877 171.877 177.276 -5.399 19852 6889 1 7 . 1 1 169 169 ILE CA C 169 68.048 68.048 63.056 4.992 19852 6890 1 7 . 1 1 169 169 ILE CB C 169 39.353 39.353 38.695 0.658 19852 6891 1 7 . 1 1 169 169 ILE H H 169 8.915 8.915 8.010 0.905 19852 6892 1 7 . 1 1 170 170 GLY N N 170 113.099 113.099 106.871 6.228 19852 6893 1 7 . 1 1 170 170 GLY C C 170 162.496 162.496 173.694 -11.198 19852 6894 1 7 . 1 1 170 170 GLY CA C 170 44.037 44.037 44.984 -0.947 19852 6895 1 7 . 1 1 170 170 GLY H H 170 6.686 6.686 7.886 -1.200 19852 6896 1 7 . 1 1 171 171 ASP N N 171 113.232 113.232 121.446 -8.214 19852 6897 1 7 . 1 1 171 171 ASP C C 171 178.910 178.910 175.466 3.444 19852 6898 1 7 . 1 1 171 171 ASP CA C 171 50.479 50.479 50.540 -0.061 19852 6899 1 7 . 1 1 171 171 ASP CB C 171 41.109 41.109 42.010 -0.900 19852 6900 1 7 . 1 1 171 171 ASP H H 171 6.815 6.815 7.655 -0.840 19852 6901 1 7 . 1 1 172 172 PRO C C 172 176.566 176.566 176.741 -0.175 19852 6902 1 7 . 1 1 172 172 PRO CA C 172 63.965 63.965 63.783 0.182 19852 6903 1 7 . 1 1 172 172 PRO CB C 172 31.732 31.732 32.279 -0.546 19852 6904 1 7 . 1 1 173 173 ASN N N 173 109.779 109.779 116.700 -6.921 19852 6905 1 7 . 1 1 173 173 ASN C C 173 175.979 175.979 175.375 0.604 19852 6906 1 7 . 1 1 173 173 ASN CA C 173 54.579 54.579 53.361 1.218 19852 6907 1 7 . 1 1 173 173 ASN CB C 173 36.424 36.424 38.822 -2.398 19852 6908 1 7 . 1 1 173 173 ASN H H 173 8.016 8.016 8.434 -0.418 19852 6909 1 7 . 1 1 174 174 LEU N N 174 109.248 109.248 122.843 -13.595 19852 6910 1 7 . 1 1 174 174 LEU C C 174 176.566 176.566 175.454 1.112 19852 6911 1 7 . 1 1 174 174 LEU CA C 174 56.336 56.336 55.934 0.402 19852 6912 1 7 . 1 1 174 174 LEU CB C 174 44.037 44.037 42.735 1.302 19852 6913 1 7 . 1 1 174 174 LEU H H 174 7.871 7.871 7.192 0.679 19852 6914 1 7 . 1 1 175 175 GLU N N 175 125.185 125.185 124.203 0.982 19852 6915 1 7 . 1 1 175 175 GLU C C 175 177.445 177.445 174.674 2.771 19852 6916 1 7 . 1 1 175 175 GLU CA C 175 76.247 76.247 54.206 22.041 19852 6917 1 7 . 1 1 175 175 GLU CB C 175 28.811 28.811 34.106 -5.295 19852 6918 1 7 . 1 1 175 175 GLU H H 175 9.127 9.127 8.221 0.906 19852 6919 1 7 . 1 1 176 176 PHE N N 176 136.873 136.873 121.774 15.099 19852 6920 1 7 . 1 1 176 176 PHE C C 176 178.617 178.617 176.806 1.811 19852 6921 1 7 . 1 1 176 176 PHE CA C 176 59.264 59.264 56.023 3.241 19852 6922 1 7 . 1 1 176 176 PHE CB C 176 44.623 44.623 38.112 6.511 19852 6923 1 7 . 1 1 176 176 PHE H H 176 10.058 10.058 8.709 1.349 19852 6924 1 7 . 1 1 177 177 VAL N N 177 118.877 118.877 126.002 -7.125 19852 6925 1 7 . 1 1 177 177 VAL C C 177 177.445 177.445 176.012 1.433 19852 6926 1 7 . 1 1 177 177 VAL CA C 177 62.777 62.777 64.936 -2.159 19852 6927 1 7 . 1 1 177 177 VAL CB C 177 34.668 34.668 32.183 2.485 19852 6928 1 7 . 1 1 177 177 VAL H H 177 7.789 7.789 8.562 -0.773 19852 6929 1 7 . 1 1 178 178 ALA N N 178 128.904 128.904 120.485 8.419 19852 6930 1 7 . 1 1 178 178 ALA CA C 178 57.507 57.507 50.802 6.705 19852 6931 1 7 . 1 1 178 178 ALA CB C 178 19.441 19.441 21.390 -1.949 19852 6932 1 7 . 1 1 178 178 ALA H H 178 7.566 7.566 7.472 0.094 19852 6933 1 7 . 1 1 179 179 MET N N 179 120.736 120.736 122.649 -1.913 19852 6934 1 7 . 1 1 179 179 MET C C 179 176.859 176.859 174.514 2.345 19852 6935 1 7 . 1 1 179 179 MET CA C 179 56.336 56.336 52.782 3.554 19852 6936 1 7 . 1 1 179 179 MET CB C 179 34.668 34.668 33.462 1.206 19852 6937 1 7 . 1 1 179 179 MET H H 179 7.930 7.930 8.541 -0.611 19852 6938 1 7 . 1 1 180 180 PRO C C 180 177.445 177.445 175.766 1.679 19852 6939 1 7 . 1 1 180 180 PRO CA C 180 64.844 64.844 62.384 2.460 19852 6940 1 7 . 1 1 180 180 PRO CB C 180 29.974 29.974 32.111 -2.137 19852 6941 1 7 . 1 1 181 181 ALA N N 181 128.439 128.439 123.205 5.234 19852 6942 1 7 . 1 1 181 181 ALA C C 181 176.273 176.273 176.073 0.200 19852 6943 1 7 . 1 1 181 181 ALA CA C 181 58.092 58.092 52.519 5.573 19852 6944 1 7 . 1 1 181 181 ALA CB C 181 21.198 21.198 19.126 2.072 19852 6945 1 7 . 1 1 181 181 ALA H H 181 8.673 8.673 8.165 0.508 19852 6946 1 7 . 1 1 182 182 LEU N N 182 122.130 122.130 123.243 -1.113 19852 6947 1 7 . 1 1 182 182 LEU C C 182 177.445 177.445 176.902 0.543 19852 6948 1 7 . 1 1 182 182 LEU CA C 182 55.164 55.164 52.422 2.742 19852 6949 1 7 . 1 1 182 182 LEU CB C 182 42.866 42.866 45.445 -2.579 19852 6950 1 7 . 1 1 182 182 LEU H H 182 8.821 8.821 8.018 0.803 19852 6951 1 7 . 1 1 183 183 ALA N N 183 108.783 108.783 125.358 -16.575 19852 6952 1 7 . 1 1 183 183 ALA C C 183 160.742 160.742 175.525 -14.783 19852 6953 1 7 . 1 1 183 183 ALA CA C 183 51.651 51.651 50.663 0.988 19852 6954 1 7 . 1 1 183 183 ALA CB C 183 18.856 18.856 18.003 0.853 19852 6955 1 7 . 1 1 183 183 ALA H H 183 7.621 7.621 8.325 -0.704 19852 6956 1 7 . 1 1 184 184 PRO C C 184 177.152 177.152 175.071 2.081 19852 6957 1 7 . 1 1 184 184 PRO CA C 184 64.258 64.258 62.023 2.236 19852 6958 1 7 . 1 1 184 184 PRO CB C 184 29.681 29.681 31.611 -1.930 19852 6959 1 7 . 1 1 185 185 PRO C C 185 175.686 175.686 176.962 -1.276 19852 6960 1 7 . 1 1 185 185 PRO CA C 185 63.379 63.379 63.035 0.344 19852 6961 1 7 . 1 1 185 185 PRO CB C 185 35.248 35.248 32.392 2.856 19852 6962 1 7 . 1 1 186 186 GLU N N 186 104.931 104.931 124.125 -19.194 19852 6963 1 7 . 1 1 186 186 GLU C C 186 174.221 174.221 176.668 -2.447 19852 6964 1 7 . 1 1 186 186 GLU CA C 186 57.507 57.507 58.579 -1.072 19852 6965 1 7 . 1 1 186 186 GLU CB C 186 31.739 31.739 30.202 1.537 19852 6966 1 7 . 1 1 186 186 GLU H H 186 8.673 8.673 8.703 -0.030 19852 6967 1 7 . 1 1 187 187 VAL N N 187 124.455 124.455 111.952 12.503 19852 6968 1 7 . 1 1 187 187 VAL C C 187 178.910 178.910 174.061 4.849 19852 6969 1 7 . 1 1 187 187 VAL CA C 187 63.363 63.363 60.487 2.876 19852 6970 1 7 . 1 1 187 187 VAL CB C 187 34.082 34.082 34.785 -0.703 19852 6971 1 7 . 1 1 187 187 VAL H H 187 8.622 8.622 7.460 1.162 19852 6972 1 7 . 1 1 188 188 VAL N N 188 128.572 128.572 121.513 7.059 19852 6973 1 7 . 1 1 188 188 VAL C C 188 178.324 178.324 175.408 2.916 19852 6974 1 7 . 1 1 188 188 VAL CA C 188 68.634 68.634 61.636 6.997 19852 6975 1 7 . 1 1 188 188 VAL CB C 188 31.154 31.154 33.302 -2.148 19852 6976 1 7 . 1 1 188 188 VAL H H 188 8.497 8.497 8.194 0.303 19852 6977 1 7 . 1 1 189 189 MET N N 189 122.795 122.795 126.484 -3.689 19852 6978 1 7 . 1 1 189 189 MET C C 189 177.445 177.445 175.208 2.237 19852 6979 1 7 . 1 1 189 189 MET CA C 189 55.164 55.164 54.972 0.192 19852 6980 1 7 . 1 1 189 189 MET CB C 189 35.253 35.253 33.521 1.732 19852 6981 1 7 . 1 1 189 189 MET H H 189 6.991 6.991 8.412 -1.421 19852 6982 1 7 . 1 1 190 190 ASP N N 190 114.959 114.959 128.087 -13.128 19852 6983 1 7 . 1 1 190 190 ASP C C 190 175.686 175.686 175.656 0.030 19852 6984 1 7 . 1 1 190 190 ASP CA C 190 51.065 51.065 51.734 -0.669 19852 6985 1 7 . 1 1 190 190 ASP CB C 190 41.695 41.695 41.820 -0.125 19852 6986 1 7 . 1 1 190 190 ASP H H 190 7.210 7.210 8.549 -1.339 19852 6987 1 7 . 1 1 191 191 PRO C C 191 176.566 176.566 177.825 -1.259 19852 6988 1 7 . 1 1 191 191 PRO CA C 191 63.965 63.965 65.043 -1.078 19852 6989 1 7 . 1 1 191 191 PRO CB C 191 31.146 31.146 31.962 -0.816 19852 6990 1 7 . 1 1 192 192 ALA N N 192 109.513 109.513 120.874 -11.361 19852 6991 1 7 . 1 1 192 192 ALA CA C 192 53.993 53.993 55.250 -1.257 19852 6992 1 7 . 1 1 192 192 ALA CB C 192 19.441 19.441 18.076 1.365 19852 6993 1 7 . 1 1 192 192 ALA H H 192 7.394 7.394 8.072 -0.678 19852 6994 1 7 . 1 1 193 193 LEU N N 193 119.009 119.009 119.504 -0.495 19852 6995 1 7 . 1 1 193 193 LEU C C 193 175.979 175.979 179.183 -3.204 19852 6996 1 7 . 1 1 193 193 LEU CA C 193 56.336 56.336 57.112 -0.776 19852 6997 1 7 . 1 1 193 193 LEU CB C 193 42.866 42.866 41.281 1.585 19852 6998 1 7 . 1 1 193 193 LEU H H 193 8.340 8.340 8.004 0.336 19852 6999 1 7 . 1 1 194 194 ALA N N 194 121.666 121.666 121.619 0.047 19852 7000 1 7 . 1 1 194 194 ALA C C 194 166.896 166.896 179.323 -12.427 19852 7001 1 7 . 1 1 194 194 ALA CA C 194 55.164 55.164 54.942 0.222 19852 7002 1 7 . 1 1 194 194 ALA CB C 194 16.513 16.513 18.140 -1.627 19852 7003 1 7 . 1 1 194 194 ALA H H 194 8.176 8.176 8.093 0.083 19852 7004 1 7 . 1 1 195 195 ALA N N 195 119.541 119.541 121.435 -1.894 19852 7005 1 7 . 1 1 195 195 ALA C C 195 173.928 173.928 179.890 -5.962 19852 7006 1 7 . 1 1 195 195 ALA CA C 195 57.507 57.507 54.807 2.700 19852 7007 1 7 . 1 1 195 195 ALA CB C 195 19.441 19.441 18.468 0.973 19852 7008 1 7 . 1 1 195 195 ALA H H 195 8.364 8.364 8.176 0.188 19852 7009 1 7 . 1 1 196 196 GLN N N 196 107.322 107.322 118.533 -11.211 19852 7010 1 7 . 1 1 196 196 GLN C C 196 176.273 176.273 178.730 -2.457 19852 7011 1 7 . 1 1 196 196 GLN CA C 196 56.921 56.921 59.180 -2.259 19852 7012 1 7 . 1 1 196 196 GLN CB C 196 29.983 29.983 28.713 1.270 19852 7013 1 7 . 1 1 196 196 GLN H H 196 7.910 7.910 7.958 -0.048 19852 7014 1 7 . 1 1 197 197 TYR N N 197 115.623 115.623 119.307 -3.684 19852 7015 1 7 . 1 1 197 197 TYR CA C 197 67.462 67.462 59.389 8.073 19852 7016 1 7 . 1 1 197 197 TYR CB C 197 41.695 41.695 37.808 3.887 19852 7017 1 7 . 1 1 197 197 TYR H H 197 8.196 8.196 8.244 -0.048 19852 7018 1 7 . 1 1 198 198 GLU N N 198 110.244 110.244 120.448 -10.204 19852 7019 1 7 . 1 1 198 198 GLU C C 198 176.273 176.273 179.000 -2.727 19852 7020 1 7 . 1 1 198 198 GLU CA C 198 53.407 53.407 59.314 -5.907 19852 7021 1 7 . 1 1 198 198 GLU CB C 198 30.568 30.568 29.682 0.886 19852 7022 1 7 . 1 1 198 198 GLU H H 198 7.523 7.523 8.281 -0.758 19852 7023 1 7 . 1 1 199 199 HIS N N 199 118.611 118.611 120.186 -1.575 19852 7024 1 7 . 1 1 199 199 HIS C C 199 175.686 175.686 177.234 -1.548 19852 7025 1 7 . 1 1 199 199 HIS CA C 199 56.921 56.921 59.392 -2.471 19852 7026 1 7 . 1 1 199 199 HIS CB C 199 28.226 28.226 29.792 -1.566 19852 7027 1 7 . 1 1 199 199 HIS H H 199 8.512 8.512 8.460 0.052 19852 7028 1 7 . 1 1 200 200 ASP N N 200 120.736 120.736 119.810 0.926 19852 7029 1 7 . 1 1 200 200 ASP C C 200 176.273 176.273 178.611 -2.338 19852 7030 1 7 . 1 1 200 200 ASP CA C 200 56.921 56.921 57.297 -0.376 19852 7031 1 7 . 1 1 200 200 ASP CB C 200 40.524 40.524 40.467 0.057 19852 7032 1 7 . 1 1 200 200 ASP H H 200 7.519 7.519 8.428 -0.909 19852 7033 1 7 . 1 1 201 201 LEU N N 201 116.353 116.353 121.340 -4.987 19852 7034 1 7 . 1 1 201 201 LEU C C 201 178.910 178.910 178.659 0.251 19852 7035 1 7 . 1 1 201 201 LEU CA C 201 61.606 61.606 57.688 3.918 19852 7036 1 7 . 1 1 201 201 LEU CB C 201 41.109 41.109 41.979 -0.870 19852 7037 1 7 . 1 1 201 201 LEU H H 201 7.722 7.722 7.971 -0.249 19852 7038 1 7 . 1 1 202 202 GLU N N 202 118.080 118.080 118.635 -0.555 19852 7039 1 7 . 1 1 202 202 GLU C C 202 176.566 176.566 179.161 -2.595 19852 7040 1 7 . 1 1 202 202 GLU CA C 202 56.921 56.921 59.297 -2.376 19852 7041 1 7 . 1 1 202 202 GLU CB C 202 30.568 30.568 29.653 0.915 19852 7042 1 7 . 1 1 202 202 GLU H H 202 8.857 8.857 7.982 0.875 19852 7043 1 7 . 1 1 203 203 VAL N N 203 129.369 129.369 119.149 10.220 19852 7044 1 7 . 1 1 203 203 VAL C C 203 178.617 178.617 178.007 0.610 19852 7045 1 7 . 1 1 203 203 VAL CA C 203 64.534 64.534 66.561 -2.026 19852 7046 1 7 . 1 1 203 203 VAL CB C 203 27.640 27.640 31.582 -3.942 19852 7047 1 7 . 1 1 203 203 VAL H H 203 9.283 9.283 8.053 1.230 19852 7048 1 7 . 1 1 204 204 ALA N N 204 109.580 109.580 118.762 -9.182 19852 7049 1 7 . 1 1 204 204 ALA C C 204 176.859 176.859 179.028 -2.169 19852 7050 1 7 . 1 1 204 204 ALA CA C 204 54.579 54.579 52.775 1.804 19852 7051 1 7 . 1 1 204 204 ALA CB C 204 18.270 18.270 18.461 -0.191 19852 7052 1 7 . 1 1 204 204 ALA H H 204 8.528 8.528 7.560 0.968 19852 7053 1 7 . 1 1 205 205 GLN N N 205 115.756 115.756 119.536 -3.780 19852 7054 1 7 . 1 1 205 205 GLN C C 205 175.979 175.979 177.730 -1.751 19852 7055 1 7 . 1 1 205 205 GLN CA C 205 48.137 48.137 58.587 -10.450 19852 7056 1 7 . 1 1 205 205 GLN CB C 205 25.883 25.883 28.801 -2.918 19852 7057 1 7 . 1 1 205 205 GLN H H 205 7.973 7.973 7.563 0.410 19852 7058 1 7 . 1 1 206 206 THR N N 206 120.271 120.271 111.086 9.185 19852 7059 1 7 . 1 1 206 206 THR C C 206 176.273 176.273 174.043 2.230 19852 7060 1 7 . 1 1 206 206 THR CA C 206 67.462 67.462 61.762 5.700 19852 7061 1 7 . 1 1 206 206 THR CB C 206 70.390 70.390 66.872 3.518 19852 7062 1 7 . 1 1 206 206 THR H H 206 7.585 7.585 7.578 0.007 19852 7063 1 7 . 1 1 207 207 THR N N 207 111.970 111.970 110.647 1.323 19852 7064 1 7 . 1 1 207 207 THR C C 207 176.566 176.566 173.925 2.641 19852 7065 1 7 . 1 1 207 207 THR CA C 207 64.534 64.534 63.373 1.161 19852 7066 1 7 . 1 1 207 207 THR CB C 207 72.733 72.733 66.517 6.216 19852 7067 1 7 . 1 1 207 207 THR H H 207 7.468 7.468 7.921 -0.453 19852 7068 1 7 . 1 1 208 208 ALA N N 208 115.623 115.623 122.163 -6.540 19852 7069 1 7 . 1 1 208 208 ALA C C 208 168.947 168.947 177.206 -8.259 19852 7070 1 7 . 1 1 208 208 ALA CA C 208 55.164 55.164 51.053 4.111 19852 7071 1 7 . 1 1 208 208 ALA CB C 208 22.369 22.369 20.483 1.885 19852 7072 1 7 . 1 1 208 208 ALA H H 208 7.390 7.390 7.731 -0.341 19852 7073 1 7 . 1 1 209 209 LEU N N 209 117.814 117.814 118.183 -0.369 19852 7074 1 7 . 1 1 209 209 LEU C C 209 176.273 176.273 175.462 0.811 19852 7075 1 7 . 1 1 209 209 LEU CA C 209 58.678 58.678 56.913 1.764 19852 7076 1 7 . 1 1 209 209 LEU CB C 209 46.380 46.380 39.942 6.438 19852 7077 1 7 . 1 1 209 209 LEU H H 209 7.652 7.652 8.289 -0.637 19852 7078 1 7 . 1 1 210 210 PRO C C 210 176.566 176.566 177.022 -0.456 19852 7079 1 7 . 1 1 210 210 PRO CA C 210 63.086 63.086 63.007 0.079 19852 7080 1 7 . 1 1 210 210 PRO CB C 210 31.146 31.146 32.002 -0.855 19852 7081 1 7 . 1 1 211 211 ASP N N 211 121.134 121.134 124.675 -3.541 19852 7082 1 7 . 1 1 211 211 ASP C C 211 176.273 176.273 178.523 -2.250 19852 7083 1 7 . 1 1 211 211 ASP CA C 211 52.236 52.236 57.137 -4.901 19852 7084 1 7 . 1 1 211 211 ASP CB C 211 42.281 42.281 40.742 1.539 19852 7085 1 7 . 1 1 211 211 ASP H H 211 9.510 9.510 8.680 0.830 19852 7086 1 7 . 1 1 212 212 GLU N N 212 131.162 131.162 118.770 12.392 19852 7087 1 7 . 1 1 212 212 GLU C C 212 176.273 176.273 178.758 -2.485 19852 7088 1 7 . 1 1 212 212 GLU CA C 212 55.164 55.164 58.841 -3.677 19852 7089 1 7 . 1 1 212 212 GLU CB C 212 30.568 30.568 29.439 1.129 19852 7090 1 7 . 1 1 212 212 GLU H H 212 8.399 8.399 8.104 0.295 19852 7091 1 7 . 1 1 213 213 ASP N N 213 115.822 115.822 118.827 -3.005 19852 7092 1 7 . 1 1 213 213 ASP C C 213 174.807 174.807 178.823 -4.016 19852 7093 1 7 . 1 1 213 213 ASP CA C 213 51.065 51.065 56.735 -5.670 19852 7094 1 7 . 1 1 213 213 ASP CB C 213 41.109 41.109 40.409 0.700 19852 7095 1 7 . 1 1 213 213 ASP H H 213 10.699 10.699 7.642 3.057 19852 7096 1 7 . 1 1 214 214 ASP N N 214 112.369 112.369 118.810 -6.441 19852 7097 1 7 . 1 1 214 214 ASP C C 214 178.910 178.910 177.007 1.903 19852 7098 1 7 . 1 1 214 214 ASP CA C 214 54.579 54.579 56.061 -1.482 19852 7099 1 7 . 1 1 214 214 ASP CB C 214 39.353 39.353 41.040 -1.687 19852 7100 1 7 . 1 1 214 214 ASP H H 214 7.464 7.464 7.831 -0.367 19852 7101 1 7 . 1 1 215 215 ASP N N 215 127.244 127.244 118.271 8.973 19852 7102 1 7 . 1 1 215 215 ASP C C 215 176.859 176.859 177.287 -0.428 19852 7103 1 7 . 1 1 215 215 ASP CA C 215 54.579 54.579 56.536 -1.957 19852 7104 1 7 . 1 1 215 215 ASP CB C 215 40.524 40.524 41.238 -0.714 19852 7105 1 7 . 1 1 215 215 ASP H H 215 8.301 8.301 7.913 0.388 19852 7106 1 8 . 1 1 2 2 ALA N N 2 131.228 131.228 123.385 7.843 19852 7107 1 8 . 1 1 2 2 ALA C C 2 187.031 187.031 177.721 9.310 19852 7108 1 8 . 1 1 2 2 ALA CA C 2 53.407 53.407 53.544 -0.137 19852 7109 1 8 . 1 1 2 2 ALA CB C 2 20.027 20.027 18.828 1.199 19852 7110 1 8 . 1 1 2 2 ALA H H 2 10.644 10.644 8.253 2.391 19852 7111 1 8 . 1 1 3 3 ALA N N 3 124.521 124.521 120.767 3.754 19852 7112 1 8 . 1 1 3 3 ALA C C 3 176.566 176.566 176.635 -0.069 19852 7113 1 8 . 1 1 3 3 ALA CA C 3 49.894 49.894 50.958 -1.064 19852 7114 1 8 . 1 1 3 3 ALA CB C 3 18.270 18.270 20.280 -2.010 19852 7115 1 8 . 1 1 3 3 ALA H H 3 8.669 8.669 8.012 0.657 19852 7116 1 8 . 1 1 4 4 GLN N N 4 118.080 118.080 121.903 -3.823 19852 7117 1 8 . 1 1 4 4 GLN C C 4 176.273 176.273 177.503 -1.230 19852 7118 1 8 . 1 1 4 4 GLN CA C 4 54.579 54.579 56.209 -1.631 19852 7119 1 8 . 1 1 4 4 GLN CB C 4 27.054 27.054 29.206 -2.152 19852 7120 1 8 . 1 1 4 4 GLN H H 4 8.919 8.919 8.433 0.486 19852 7121 1 8 . 1 1 5 5 GLY N N 5 121.002 121.002 110.027 10.975 19852 7122 1 8 . 1 1 5 5 GLY C C 5 181.877 181.877 174.433 7.444 19852 7123 1 8 . 1 1 5 5 GLY CA C 5 45.794 45.794 44.991 0.803 19852 7124 1 8 . 1 1 5 5 GLY H H 5 8.082 8.082 8.742 -0.660 19852 7125 1 8 . 1 1 6 6 GLU N N 6 129.435 129.435 121.764 7.671 19852 7126 1 8 . 1 1 6 6 GLU C C 6 176.566 176.566 174.791 1.775 19852 7127 1 8 . 1 1 6 6 GLU CA C 6 56.336 56.336 55.089 1.247 19852 7128 1 8 . 1 1 6 6 GLU CB C 6 28.811 28.811 29.943 -1.132 19852 7129 1 8 . 1 1 6 6 GLU H H 6 9.267 9.267 8.172 1.095 19852 7130 1 8 . 1 1 7 7 PRO C C 7 176.566 176.566 176.091 0.475 19852 7131 1 8 . 1 1 7 7 PRO CA C 7 63.672 63.672 62.798 0.874 19852 7132 1 8 . 1 1 7 7 PRO CB C 7 31.146 31.146 32.488 -1.342 19852 7133 1 8 . 1 1 8 8 GLN N N 8 112.502 112.502 120.471 -7.969 19852 7134 1 8 . 1 1 8 8 GLN C C 8 177.445 177.445 176.444 1.001 19852 7135 1 8 . 1 1 8 8 GLN CA C 8 50.479 50.479 56.349 -5.870 19852 7136 1 8 . 1 1 8 8 GLN CB C 8 28.811 28.811 28.738 0.073 19852 7137 1 8 . 1 1 8 8 GLN H H 8 6.220 6.220 8.398 -2.178 19852 7138 1 8 . 1 1 9 9 VAL N N 9 117.416 117.416 128.882 -11.466 19852 7139 1 8 . 1 1 9 9 VAL C C 9 178.324 178.324 174.311 4.013 19852 7140 1 8 . 1 1 9 9 VAL CA C 9 63.363 63.363 61.983 1.381 19852 7141 1 8 . 1 1 9 9 VAL CB C 9 34.668 34.668 32.121 2.547 19852 7142 1 8 . 1 1 9 9 VAL H H 9 6.561 6.561 8.658 -2.097 19852 7143 1 8 . 1 1 10 10 GLN N N 10 113.896 113.896 124.484 -10.588 19852 7144 1 8 . 1 1 10 10 GLN C C 10 176.273 176.273 174.673 1.600 19852 7145 1 8 . 1 1 10 10 GLN CA C 10 55.164 55.164 53.875 1.289 19852 7146 1 8 . 1 1 10 10 GLN CB C 10 28.226 28.226 32.433 -4.207 19852 7147 1 8 . 1 1 10 10 GLN H H 10 7.847 7.847 8.183 -0.336 19852 7148 1 8 . 1 1 11 11 PHE N N 11 118.744 118.744 122.154 -3.410 19852 7149 1 8 . 1 1 11 11 PHE C C 11 176.566 176.566 174.560 2.006 19852 7150 1 8 . 1 1 11 11 PHE CA C 11 59.849 59.849 56.471 3.378 19852 7151 1 8 . 1 1 11 11 PHE CB C 11 41.109 41.109 43.157 -2.047 19852 7152 1 8 . 1 1 11 11 PHE H H 11 8.262 8.262 8.973 -0.711 19852 7153 1 8 . 1 1 12 12 LYS N N 12 124.123 124.123 122.760 1.363 19852 7154 1 8 . 1 1 12 12 LYS C C 12 177.152 177.152 175.049 2.103 19852 7155 1 8 . 1 1 12 12 LYS CA C 12 57.507 57.507 55.859 1.648 19852 7156 1 8 . 1 1 12 12 LYS CB C 12 28.811 28.811 33.261 -4.450 19852 7157 1 8 . 1 1 12 12 LYS H H 12 8.415 8.415 8.981 -0.566 19852 7158 1 8 . 1 1 13 13 LEU N N 13 112.103 112.103 128.218 -16.115 19852 7159 1 8 . 1 1 13 13 LEU C C 13 177.738 177.738 174.655 3.083 19852 7160 1 8 . 1 1 13 13 LEU CA C 13 54.579 54.579 53.333 1.246 19852 7161 1 8 . 1 1 13 13 LEU CB C 13 42.866 42.866 45.804 -2.938 19852 7162 1 8 . 1 1 13 13 LEU H H 13 6.905 6.905 9.090 -2.185 19852 7163 1 8 . 1 1 14 14 VAL N N 14 127.310 127.310 126.818 0.492 19852 7164 1 8 . 1 1 14 14 VAL C C 14 175.393 175.393 173.911 1.482 19852 7165 1 8 . 1 1 14 14 VAL CA C 14 70.976 70.976 61.880 9.096 19852 7166 1 8 . 1 1 14 14 VAL CB C 14 28.811 28.811 32.938 -4.127 19852 7167 1 8 . 1 1 14 14 VAL H H 14 8.305 8.305 8.815 -0.510 19852 7168 1 8 . 1 1 15 15 LEU N N 15 121.400 121.400 131.338 -9.938 19852 7169 1 8 . 1 1 15 15 LEU C C 15 173.342 173.342 174.999 -1.657 19852 7170 1 8 . 1 1 15 15 LEU CA C 15 56.336 56.336 53.194 3.142 19852 7171 1 8 . 1 1 15 15 LEU CB C 15 41.695 41.695 44.549 -2.854 19852 7172 1 8 . 1 1 15 15 LEU H H 15 7.785 7.785 8.487 -0.702 19852 7173 1 8 . 1 1 16 16 VAL N N 16 121.267 121.267 120.454 0.813 19852 7174 1 8 . 1 1 16 16 VAL C C 16 178.324 178.324 174.653 3.671 19852 7175 1 8 . 1 1 16 16 VAL CA C 16 63.363 63.363 58.424 4.939 19852 7176 1 8 . 1 1 16 16 VAL CB C 16 35.839 35.839 35.441 0.398 19852 7177 1 8 . 1 1 16 16 VAL H H 16 8.935 8.935 8.630 0.305 19852 7178 1 8 . 1 1 17 17 GLY N N 17 127.908 127.908 106.995 20.913 19852 7179 1 8 . 1 1 17 17 GLY C C 17 174.514 174.514 172.542 1.972 19852 7180 1 8 . 1 1 17 17 GLY CA C 17 42.281 42.281 44.758 -2.477 19852 7181 1 8 . 1 1 17 17 GLY H H 17 9.682 9.682 6.818 2.864 19852 7182 1 8 . 1 1 18 18 ASP N N 18 119.673 119.673 120.417 -0.744 19852 7183 1 8 . 1 1 18 18 ASP C C 18 176.859 176.859 177.209 -0.350 19852 7184 1 8 . 1 1 18 18 ASP CA C 18 55.750 55.750 54.261 1.489 19852 7185 1 8 . 1 1 18 18 ASP CB C 18 39.938 39.938 42.278 -2.340 19852 7186 1 8 . 1 1 18 18 ASP H H 18 7.879 7.879 8.331 -0.452 19852 7187 1 8 . 1 1 19 19 GLY N N 19 120.670 120.670 107.501 13.169 19852 7188 1 8 . 1 1 19 19 GLY C C 19 178.324 178.324 174.951 3.373 19852 7189 1 8 . 1 1 19 19 GLY CA C 19 42.281 42.281 45.566 -3.285 19852 7190 1 8 . 1 1 19 19 GLY H H 19 8.825 8.825 8.666 0.159 19852 7191 1 8 . 1 1 20 20 GLY N N 20 129.369 129.369 112.531 16.838 19852 7192 1 8 . 1 1 20 20 GLY C C 20 174.221 174.221 175.917 -1.696 19852 7193 1 8 . 1 1 20 20 GLY CA C 20 41.695 41.695 45.684 -3.990 19852 7194 1 8 . 1 1 20 20 GLY H H 20 8.477 8.477 8.637 -0.160 19852 7195 1 8 . 1 1 21 21 THR N N 21 114.560 114.560 118.008 -3.448 19852 7196 1 8 . 1 1 21 21 THR C C 21 178.617 178.617 174.867 3.750 19852 7197 1 8 . 1 1 21 21 THR CA C 21 62.192 62.192 66.514 -4.322 19852 7198 1 8 . 1 1 21 21 THR CB C 21 70.390 70.390 69.238 1.152 19852 7199 1 8 . 1 1 21 21 THR H H 21 8.196 8.196 7.810 0.386 19852 7200 1 8 . 1 1 22 22 GLY N N 22 112.369 112.369 106.334 6.035 19852 7201 1 8 . 1 1 22 22 GLY C C 22 184.807 184.807 175.179 9.628 19852 7202 1 8 . 1 1 22 22 GLY CA C 22 45.209 45.209 45.119 0.090 19852 7203 1 8 . 1 1 22 22 GLY H H 22 6.772 6.772 8.364 -1.592 19852 7204 1 8 . 1 1 23 23 LYS N N 23 124.056 124.056 121.272 2.784 19852 7205 1 8 . 1 1 23 23 LYS C C 23 176.566 176.566 177.785 -1.219 19852 7206 1 8 . 1 1 23 23 LYS CA C 23 56.921 56.921 59.921 -3.000 19852 7207 1 8 . 1 1 23 23 LYS CB C 23 35.839 35.839 31.993 3.846 19852 7208 1 8 . 1 1 23 23 LYS H H 23 8.180 8.180 8.541 -0.361 19852 7209 1 8 . 1 1 24 24 THR N N 24 114.627 114.627 114.653 -0.026 19852 7210 1 8 . 1 1 24 24 THR C C 24 178.324 178.324 176.644 1.680 19852 7211 1 8 . 1 1 24 24 THR CA C 24 62.192 62.192 66.898 -4.706 19852 7212 1 8 . 1 1 24 24 THR CB C 24 71.562 71.562 68.046 3.516 19852 7213 1 8 . 1 1 24 24 THR H H 24 8.469 8.469 8.168 0.301 19852 7214 1 8 . 1 1 25 25 THR N N 25 110.377 110.377 118.363 -7.986 19852 7215 1 8 . 1 1 25 25 THR C C 25 178.324 178.324 175.869 2.455 19852 7216 1 8 . 1 1 25 25 THR CA C 25 64.534 64.534 67.315 -2.781 19852 7217 1 8 . 1 1 25 25 THR CB C 25 71.562 71.562 68.459 3.103 19852 7218 1 8 . 1 1 25 25 THR H H 25 8.415 8.415 8.127 0.288 19852 7219 1 8 . 1 1 26 26 PHE N N 26 114.295 114.295 122.469 -8.174 19852 7220 1 8 . 1 1 26 26 PHE C C 26 174.514 174.514 177.426 -2.912 19852 7221 1 8 . 1 1 26 26 PHE CA C 26 53.407 53.407 61.558 -8.151 19852 7222 1 8 . 1 1 26 26 PHE CB C 26 40.524 40.524 38.967 1.557 19852 7223 1 8 . 1 1 26 26 PHE H H 26 7.707 7.707 8.138 -0.431 19852 7224 1 8 . 1 1 27 27 VAL N N 27 123.525 123.525 120.363 3.162 19852 7225 1 8 . 1 1 27 27 VAL C C 27 178.031 178.031 177.585 0.446 19852 7226 1 8 . 1 1 27 27 VAL CA C 27 67.462 67.462 66.525 0.937 19852 7227 1 8 . 1 1 27 27 VAL CB C 27 29.397 29.397 31.471 -2.074 19852 7228 1 8 . 1 1 27 27 VAL H H 27 6.987 6.987 8.207 -1.220 19852 7229 1 8 . 1 1 28 28 LYS N N 28 114.228 114.228 117.156 -2.928 19852 7230 1 8 . 1 1 28 28 LYS C C 28 176.566 176.566 177.584 -1.018 19852 7231 1 8 . 1 1 28 28 LYS CA C 28 58.092 58.092 58.029 0.063 19852 7232 1 8 . 1 1 28 28 LYS CB C 28 34.082 34.082 31.768 2.313 19852 7233 1 8 . 1 1 28 28 LYS H H 28 7.429 7.429 7.906 -0.477 19852 7234 1 8 . 1 1 29 29 ARG N N 29 112.037 112.037 116.899 -4.862 19852 7235 1 8 . 1 1 29 29 ARG C C 29 174.221 174.221 176.416 -2.195 19852 7236 1 8 . 1 1 29 29 ARG CA C 29 72.147 72.147 58.342 13.805 19852 7237 1 8 . 1 1 29 29 ARG CB C 29 37.596 37.596 30.239 7.357 19852 7238 1 8 . 1 1 29 29 ARG H H 29 6.803 6.803 7.064 -0.261 19852 7239 1 8 . 1 1 30 30 HIS N N 30 122.396 122.396 119.308 3.088 19852 7240 1 8 . 1 1 30 30 HIS C C 30 172.170 172.170 176.105 -3.935 19852 7241 1 8 . 1 1 30 30 HIS CA C 30 51.651 51.651 55.709 -4.058 19852 7242 1 8 . 1 1 30 30 HIS CB C 30 30.568 30.568 30.011 0.557 19852 7243 1 8 . 1 1 30 30 HIS H H 30 7.644 7.644 7.245 0.399 19852 7244 1 8 . 1 1 31 31 LEU N N 31 110.377 110.377 127.870 -17.493 19852 7245 1 8 . 1 1 31 31 LEU C C 31 178.031 178.031 178.262 -0.231 19852 7246 1 8 . 1 1 31 31 LEU CA C 31 55.164 55.164 57.913 -2.749 19852 7247 1 8 . 1 1 31 31 LEU CB C 31 42.281 42.281 41.618 0.663 19852 7248 1 8 . 1 1 31 31 LEU H H 31 7.894 7.894 7.897 -0.003 19852 7249 1 8 . 1 1 32 32 THR N N 32 118.213 118.213 114.186 4.027 19852 7250 1 8 . 1 1 32 32 THR C C 32 178.910 178.910 176.528 2.382 19852 7251 1 8 . 1 1 32 32 THR CA C 32 63.949 63.949 67.399 -3.450 19852 7252 1 8 . 1 1 32 32 THR CB C 32 72.733 72.733 68.017 4.716 19852 7253 1 8 . 1 1 32 32 THR H H 32 7.570 7.570 8.212 -0.642 19852 7254 1 8 . 1 1 33 33 GLY N N 33 127.841 127.841 109.308 18.533 19852 7255 1 8 . 1 1 33 33 GLY C C 33 161.914 161.914 175.565 -13.651 19852 7256 1 8 . 1 1 33 33 GLY CA C 33 42.866 42.866 46.757 -3.891 19852 7257 1 8 . 1 1 33 33 GLY H H 33 9.662 9.662 8.067 1.595 19852 7258 1 8 . 1 1 34 34 GLU N N 34 122.263 122.263 122.900 -0.637 19852 7259 1 8 . 1 1 34 34 GLU C C 34 176.859 176.859 179.596 -2.737 19852 7260 1 8 . 1 1 34 34 GLU CA C 34 51.651 51.651 58.746 -7.095 19852 7261 1 8 . 1 1 34 34 GLU CB C 34 29.397 29.397 29.654 -0.257 19852 7262 1 8 . 1 1 34 34 GLU H H 34 7.140 7.140 7.808 -0.668 19852 7263 1 8 . 1 1 35 35 PHE N N 35 111.838 111.838 118.275 -6.437 19852 7264 1 8 . 1 1 35 35 PHE C C 35 174.221 174.221 177.604 -3.383 19852 7265 1 8 . 1 1 35 35 PHE CA C 35 49.308 49.308 59.552 -10.244 19852 7266 1 8 . 1 1 35 35 PHE CB C 35 41.695 41.695 38.736 2.959 19852 7267 1 8 . 1 1 35 35 PHE H H 35 6.772 6.772 7.973 -1.201 19852 7268 1 8 . 1 1 36 36 GLU N N 36 124.388 124.388 115.973 8.415 19852 7269 1 8 . 1 1 36 36 GLU C C 36 176.859 176.859 176.023 0.836 19852 7270 1 8 . 1 1 36 36 GLU CA C 36 58.092 58.092 55.547 2.545 19852 7271 1 8 . 1 1 36 36 GLU CB C 36 30.568 30.568 29.479 1.089 19852 7272 1 8 . 1 1 36 36 GLU H H 36 7.734 7.734 8.140 -0.406 19852 7273 1 8 . 1 1 37 37 LYS N N 37 118.810 118.810 119.815 -1.005 19852 7274 1 8 . 1 1 37 37 LYS C C 37 172.756 172.756 176.503 -3.747 19852 7275 1 8 . 1 1 37 37 LYS CA C 37 48.137 48.137 56.547 -8.410 19852 7276 1 8 . 1 1 37 37 LYS CB C 37 37.010 37.010 32.703 4.307 19852 7277 1 8 . 1 1 37 37 LYS H H 37 8.509 8.509 7.231 1.278 19852 7278 1 8 . 1 1 38 38 LYS N N 38 108.052 108.052 124.576 -16.524 19852 7279 1 8 . 1 1 38 38 LYS C C 38 176.273 176.273 174.787 1.486 19852 7280 1 8 . 1 1 38 38 LYS CA C 38 59.849 59.849 54.198 5.651 19852 7281 1 8 . 1 1 38 38 LYS CB C 38 34.668 34.668 34.381 0.287 19852 7282 1 8 . 1 1 38 38 LYS H H 38 7.715 7.715 8.597 -0.882 19852 7283 1 8 . 1 1 39 39 TYR N N 39 108.650 108.650 126.101 -17.451 19852 7284 1 8 . 1 1 39 39 TYR C C 39 175.686 175.686 175.471 0.215 19852 7285 1 8 . 1 1 39 39 TYR CA C 39 61.020 61.020 57.008 4.012 19852 7286 1 8 . 1 1 39 39 TYR CB C 39 36.424 36.424 39.608 -3.183 19852 7287 1 8 . 1 1 39 39 TYR H H 39 7.362 7.362 8.688 -1.326 19852 7288 1 8 . 1 1 40 40 VAL N N 40 117.947 117.947 128.731 -10.784 19852 7289 1 8 . 1 1 40 40 VAL C C 40 175.393 175.393 174.935 0.458 19852 7290 1 8 . 1 1 40 40 VAL CA C 40 61.020 61.020 60.819 0.201 19852 7291 1 8 . 1 1 40 40 VAL CB C 40 31.154 31.154 31.799 -0.645 19852 7292 1 8 . 1 1 40 40 VAL H H 40 8.442 8.442 8.483 -0.041 19852 7293 1 8 . 1 1 42 42 THR N N 42 117.150 117.150 110.876 6.274 19852 7294 1 8 . 1 1 42 42 THR C C 42 178.910 178.910 176.341 2.569 19852 7295 1 8 . 1 1 42 42 THR CA C 42 60.435 60.435 64.407 -3.973 19852 7296 1 8 . 1 1 42 42 THR CB C 42 70.390 70.390 68.184 2.206 19852 7297 1 8 . 1 1 42 42 THR H H 42 8.192 8.192 8.032 0.160 19852 7298 1 8 . 1 1 43 43 LEU N N 43 119.209 119.209 122.289 -3.080 19852 7299 1 8 . 1 1 43 43 LEU C C 43 174.807 174.807 177.561 -2.754 19852 7300 1 8 . 1 1 43 43 LEU CA C 43 57.507 57.507 55.436 2.071 19852 7301 1 8 . 1 1 43 43 LEU CB C 43 42.866 42.866 41.922 0.944 19852 7302 1 8 . 1 1 43 43 LEU H H 43 9.260 9.260 7.808 1.452 19852 7303 1 8 . 1 1 44 44 GLY N N 44 114.361 114.361 106.269 8.092 19852 7304 1 8 . 1 1 44 44 GLY C C 44 178.910 178.910 173.279 5.631 19852 7305 1 8 . 1 1 44 44 GLY CA C 44 54.579 54.579 45.509 9.070 19852 7306 1 8 . 1 1 44 44 GLY H H 44 6.979 6.979 7.992 -1.013 19852 7307 1 8 . 1 1 45 45 VAL N N 45 110.244 110.244 118.290 -8.046 19852 7308 1 8 . 1 1 45 45 VAL C C 45 174.807 174.807 174.233 0.574 19852 7309 1 8 . 1 1 45 45 VAL CA C 45 63.363 63.363 60.786 2.577 19852 7310 1 8 . 1 1 45 45 VAL CB C 45 17.099 17.099 35.177 -18.078 19852 7311 1 8 . 1 1 45 45 VAL H H 45 8.309 8.309 7.192 1.117 19852 7312 1 8 . 1 1 46 46 GLU N N 46 130.365 130.365 126.081 4.284 19852 7313 1 8 . 1 1 46 46 GLU C C 46 176.859 176.859 175.356 1.503 19852 7314 1 8 . 1 1 46 46 GLU CA C 46 55.164 55.164 55.542 -0.378 19852 7315 1 8 . 1 1 46 46 GLU CB C 46 32.325 32.325 31.547 0.778 19852 7316 1 8 . 1 1 46 46 GLU H H 46 9.741 9.741 9.178 0.563 19852 7317 1 8 . 1 1 47 47 VAL N N 47 115.623 115.623 125.869 -10.246 19852 7318 1 8 . 1 1 47 47 VAL C C 47 178.324 178.324 174.944 3.380 19852 7319 1 8 . 1 1 47 47 VAL CA C 47 63.363 63.363 61.442 1.921 19852 7320 1 8 . 1 1 47 47 VAL CB C 47 32.911 32.911 32.495 0.416 19852 7321 1 8 . 1 1 47 47 VAL H H 47 7.339 7.339 9.072 -1.733 19852 7322 1 8 . 1 1 48 48 HIS N N 48 129.236 129.236 127.414 1.822 19852 7323 1 8 . 1 1 48 48 HIS C C 48 169.240 169.240 173.139 -3.899 19852 7324 1 8 . 1 1 48 48 HIS CA C 48 49.894 49.894 53.381 -3.487 19852 7325 1 8 . 1 1 48 48 HIS CB C 48 27.640 27.640 32.628 -4.988 19852 7326 1 8 . 1 1 48 48 HIS H H 48 10.390 10.390 9.477 0.913 19852 7327 1 8 . 1 1 49 49 PRO C C 49 176.273 176.273 175.585 0.688 19852 7328 1 8 . 1 1 49 49 PRO CA C 49 62.500 62.500 62.735 -0.235 19852 7329 1 8 . 1 1 49 49 PRO CB C 49 29.974 29.974 31.513 -1.539 19852 7330 1 8 . 1 1 50 50 LEU N N 50 119.408 119.408 128.937 -9.529 19852 7331 1 8 . 1 1 50 50 LEU C C 50 177.445 177.445 175.218 2.227 19852 7332 1 8 . 1 1 50 50 LEU CA C 50 59.264 59.264 54.052 5.212 19852 7333 1 8 . 1 1 50 50 LEU CB C 50 42.281 42.281 42.669 -0.388 19852 7334 1 8 . 1 1 50 50 LEU H H 50 7.492 7.492 8.933 -1.441 19852 7335 1 8 . 1 1 51 51 VAL N N 51 117.947 117.947 124.205 -6.258 19852 7336 1 8 . 1 1 51 51 VAL C C 51 174.514 174.514 174.864 -0.350 19852 7337 1 8 . 1 1 51 51 VAL CA C 51 64.534 64.534 61.868 2.666 19852 7338 1 8 . 1 1 51 51 VAL CB C 51 37.010 37.010 32.535 4.475 19852 7339 1 8 . 1 1 51 51 VAL H H 51 7.715 7.715 7.922 -0.207 19852 7340 1 8 . 1 1 52 52 PHE N N 52 124.853 124.853 126.414 -1.561 19852 7341 1 8 . 1 1 52 52 PHE C C 52 175.100 175.100 174.119 0.981 19852 7342 1 8 . 1 1 52 52 PHE CA C 52 56.336 56.336 56.165 0.171 19852 7343 1 8 . 1 1 52 52 PHE CB C 52 39.938 39.938 42.164 -2.226 19852 7344 1 8 . 1 1 52 52 PHE H H 52 8.935 8.935 8.989 -0.054 19852 7345 1 8 . 1 1 53 53 HIS N N 53 120.603 120.603 123.265 -2.662 19852 7346 1 8 . 1 1 53 53 HIS C C 53 170.119 170.119 175.013 -4.894 19852 7347 1 8 . 1 1 53 53 HIS CA C 53 55.164 55.164 55.538 -0.374 19852 7348 1 8 . 1 1 53 53 HIS CB C 53 30.568 30.568 30.723 -0.155 19852 7349 1 8 . 1 1 53 53 HIS H H 53 8.356 8.356 8.991 -0.635 19852 7350 1 8 . 1 1 54 54 THR N N 54 112.634 112.634 115.571 -2.937 19852 7351 1 8 . 1 1 54 54 THR C C 54 178.910 178.910 175.561 3.349 19852 7352 1 8 . 1 1 54 54 THR CA C 54 63.363 63.363 59.385 3.978 19852 7353 1 8 . 1 1 54 54 THR CB C 54 72.733 72.733 71.718 1.015 19852 7354 1 8 . 1 1 54 54 THR H H 54 7.574 7.574 8.285 -0.711 19852 7355 1 8 . 1 1 55 55 ASN N N 55 131.095 131.095 118.934 12.161 19852 7356 1 8 . 1 1 55 55 ASN C C 55 176.273 176.273 177.150 -0.877 19852 7357 1 8 . 1 1 55 55 ASN CA C 55 51.065 51.065 55.484 -4.419 19852 7358 1 8 . 1 1 55 55 ASN CB C 55 37.010 37.010 38.334 -1.324 19852 7359 1 8 . 1 1 55 55 ASN H H 55 10.187 10.187 8.593 1.594 19852 7360 1 8 . 1 1 56 56 ARG N N 56 122.064 122.064 118.714 3.350 19852 7361 1 8 . 1 1 56 56 ARG C C 56 175.100 175.100 176.326 -1.226 19852 7362 1 8 . 1 1 56 56 ARG CA C 56 61.606 61.606 57.398 4.208 19852 7363 1 8 . 1 1 56 56 ARG CB C 56 32.911 32.911 31.295 1.616 19852 7364 1 8 . 1 1 56 56 ARG H H 56 7.433 7.433 7.752 -0.319 19852 7365 1 8 . 1 1 57 57 GLY N N 57 127.709 127.709 103.793 23.916 19852 7366 1 8 . 1 1 57 57 GLY C C 57 175.979 175.979 171.674 4.305 19852 7367 1 8 . 1 1 57 57 GLY CA C 57 42.281 42.281 44.451 -2.170 19852 7368 1 8 . 1 1 57 57 GLY H H 57 9.373 9.373 7.574 1.799 19852 7369 1 8 . 1 1 58 58 PRO C C 58 177.152 177.152 175.677 1.475 19852 7370 1 8 . 1 1 58 58 PRO CA C 58 65.137 65.137 63.083 2.054 19852 7371 1 8 . 1 1 58 58 PRO CB C 58 29.095 29.095 32.199 -3.104 19852 7372 1 8 . 1 1 59 59 ILE N N 59 128.638 128.638 122.598 6.040 19852 7373 1 8 . 1 1 59 59 ILE C C 59 175.979 175.979 174.717 1.262 19852 7374 1 8 . 1 1 59 59 ILE CA C 59 65.120 65.120 60.192 4.928 19852 7375 1 8 . 1 1 59 59 ILE CB C 59 40.524 40.524 41.517 -0.993 19852 7376 1 8 . 1 1 59 59 ILE H H 59 8.794 8.794 8.937 -0.143 19852 7377 1 8 . 1 1 60 60 LYS N N 60 115.756 115.756 125.432 -9.676 19852 7378 1 8 . 1 1 60 60 LYS C C 60 175.979 175.979 175.494 0.485 19852 7379 1 8 . 1 1 60 60 LYS CA C 60 56.921 56.921 54.591 2.330 19852 7380 1 8 . 1 1 60 60 LYS CB C 60 32.325 32.325 34.788 -2.463 19852 7381 1 8 . 1 1 60 60 LYS H H 60 7.253 7.253 8.720 -1.467 19852 7382 1 8 . 1 1 61 61 PHE N N 61 120.670 120.670 123.816 -3.146 19852 7383 1 8 . 1 1 61 61 PHE C C 61 175.393 175.393 175.185 0.208 19852 7384 1 8 . 1 1 61 61 PHE CA C 61 57.507 57.507 56.846 0.661 19852 7385 1 8 . 1 1 61 61 PHE CB C 61 41.109 41.109 41.210 -0.101 19852 7386 1 8 . 1 1 61 61 PHE H H 61 7.515 7.515 9.509 -1.994 19852 7387 1 8 . 1 1 62 62 ASN N N 62 119.076 119.076 124.544 -5.468 19852 7388 1 8 . 1 1 62 62 ASN C C 62 175.100 175.100 174.613 0.487 19852 7389 1 8 . 1 1 62 62 ASN CA C 62 53.407 53.407 53.285 0.123 19852 7390 1 8 . 1 1 62 62 ASN CB C 62 38.767 38.767 39.092 -0.325 19852 7391 1 8 . 1 1 62 62 ASN H H 62 7.558 7.558 9.401 -1.843 19852 7392 1 8 . 1 1 63 63 VAL N N 63 106.127 106.127 125.589 -19.462 19852 7393 1 8 . 1 1 63 63 VAL C C 63 175.100 175.100 175.661 -0.561 19852 7394 1 8 . 1 1 63 63 VAL CA C 63 61.020 61.020 62.810 -1.790 19852 7395 1 8 . 1 1 63 63 VAL CB C 63 31.154 31.154 32.488 -1.334 19852 7396 1 8 . 1 1 63 63 VAL H H 63 8.113 8.113 9.186 -1.073 19852 7397 1 8 . 1 1 64 64 TRP N N 64 129.302 129.302 130.104 -0.802 19852 7398 1 8 . 1 1 64 64 TRP C C 64 177.152 177.152 175.865 1.287 19852 7399 1 8 . 1 1 64 64 TRP CA C 64 59.264 59.264 55.071 4.193 19852 7400 1 8 . 1 1 64 64 TRP CB C 64 29.397 29.397 29.933 -0.536 19852 7401 1 8 . 1 1 64 64 TRP H H 64 8.970 8.970 9.592 -0.622 19852 7402 1 8 . 1 1 65 65 ASP N N 65 119.607 119.607 124.530 -4.923 19852 7403 1 8 . 1 1 65 65 ASP C C 65 174.514 174.514 175.782 -1.268 19852 7404 1 8 . 1 1 65 65 ASP CA C 65 55.164 55.164 52.631 2.533 19852 7405 1 8 . 1 1 65 65 ASP CB C 65 41.109 41.109 45.497 -4.388 19852 7406 1 8 . 1 1 65 65 ASP H H 65 8.638 8.638 9.401 -0.763 19852 7407 1 8 . 1 1 66 66 THR N N 66 122.463 122.463 114.957 7.506 19852 7408 1 8 . 1 1 66 66 THR C C 66 178.617 178.617 175.032 3.585 19852 7409 1 8 . 1 1 66 66 THR CA C 66 68.048 68.048 61.328 6.720 19852 7410 1 8 . 1 1 66 66 THR CB C 66 71.562 71.562 69.656 1.906 19852 7411 1 8 . 1 1 66 66 THR H H 66 8.293 8.293 8.616 -0.323 19852 7412 1 8 . 1 1 67 67 ALA N N 67 104.865 104.865 124.010 -19.145 19852 7413 1 8 . 1 1 67 67 ALA C C 67 177.738 177.738 177.669 0.069 19852 7414 1 8 . 1 1 67 67 ALA CA C 67 48.722 48.722 51.269 -2.547 19852 7415 1 8 . 1 1 67 67 ALA CB C 67 14.171 14.171 19.084 -4.913 19852 7416 1 8 . 1 1 67 67 ALA H H 67 8.657 8.657 8.440 0.217 19852 7417 1 8 . 1 1 68 68 GLY N N 68 115.357 115.357 107.422 7.935 19852 7418 1 8 . 1 1 68 68 GLY C C 68 189.533 189.533 176.020 13.513 19852 7419 1 8 . 1 1 68 68 GLY CA C 68 45.209 45.209 45.251 -0.042 19852 7420 1 8 . 1 1 68 68 GLY H H 68 10.969 10.969 7.663 3.306 19852 7421 1 8 . 1 1 69 69 GLN N N 69 110.111 110.111 119.790 -9.679 19852 7422 1 8 . 1 1 69 69 GLN C C 69 176.859 176.859 176.911 -0.052 19852 7423 1 8 . 1 1 69 69 GLN CA C 69 55.750 55.750 58.679 -2.929 19852 7424 1 8 . 1 1 69 69 GLN CB C 69 27.640 27.640 28.073 -0.433 19852 7425 1 8 . 1 1 69 69 GLN H H 69 8.344 8.344 8.608 -0.264 19852 7426 1 8 . 1 1 70 70 GLU N N 70 114.826 114.826 117.616 -2.790 19852 7427 1 8 . 1 1 70 70 GLU C C 70 176.273 176.273 177.556 -1.283 19852 7428 1 8 . 1 1 70 70 GLU CA C 70 57.507 57.507 58.509 -1.002 19852 7429 1 8 . 1 1 70 70 GLU CB C 70 28.811 28.811 29.367 -0.556 19852 7430 1 8 . 1 1 70 70 GLU H H 70 9.651 9.651 8.376 1.275 19852 7431 1 8 . 1 1 71 71 LYS N N 71 116.685 116.685 117.153 -0.468 19852 7432 1 8 . 1 1 71 71 LYS C C 71 175.979 175.979 178.932 -2.953 19852 7433 1 8 . 1 1 71 71 LYS CA C 71 48.722 48.722 58.538 -9.816 19852 7434 1 8 . 1 1 71 71 LYS CB C 71 37.010 37.010 32.676 4.334 19852 7435 1 8 . 1 1 71 71 LYS H H 71 8.712 8.712 7.706 1.006 19852 7436 1 8 . 1 1 72 72 PHE N N 72 114.959 114.959 115.582 -0.623 19852 7437 1 8 . 1 1 72 72 PHE C C 72 175.686 175.686 176.209 -0.523 19852 7438 1 8 . 1 1 72 72 PHE CA C 72 56.336 56.336 58.339 -2.003 19852 7439 1 8 . 1 1 72 72 PHE CB C 72 36.424 36.424 39.593 -3.169 19852 7440 1 8 . 1 1 72 72 PHE H H 72 7.965 7.965 7.454 0.511 19852 7441 1 8 . 1 1 73 73 GLY N N 73 117.084 117.084 106.119 10.965 19852 7442 1 8 . 1 1 73 73 GLY C C 73 168.068 168.068 172.304 -4.236 19852 7443 1 8 . 1 1 73 73 GLY CA C 73 42.281 42.281 44.818 -2.537 19852 7444 1 8 . 1 1 73 73 GLY H H 73 7.609 7.609 7.398 0.211 19852 7445 1 8 . 1 1 74 74 GLY N N 74 120.537 120.537 105.966 14.571 19852 7446 1 8 . 1 1 74 74 GLY C C 74 174.514 174.514 174.218 0.296 19852 7447 1 8 . 1 1 74 74 GLY CA C 74 44.037 44.037 44.324 -0.287 19852 7448 1 8 . 1 1 74 74 GLY H H 74 9.326 9.326 8.276 1.050 19852 7449 1 8 . 1 1 75 75 LEU N N 75 127.177 127.177 120.467 6.710 19852 7450 1 8 . 1 1 75 75 LEU C C 75 178.617 178.617 177.694 0.923 19852 7451 1 8 . 1 1 75 75 LEU CA C 75 53.407 53.407 54.043 -0.636 19852 7452 1 8 . 1 1 75 75 LEU CB C 75 42.281 42.281 43.361 -1.080 19852 7453 1 8 . 1 1 75 75 LEU H H 75 7.628 7.628 8.666 -1.038 19852 7454 1 8 . 1 1 76 76 ARG N N 76 116.486 116.486 122.636 -6.150 19852 7455 1 8 . 1 1 76 76 ARG C C 76 176.859 176.859 177.013 -0.154 19852 7456 1 8 . 1 1 76 76 ARG CA C 76 59.264 59.264 56.337 2.928 19852 7457 1 8 . 1 1 76 76 ARG CB C 76 31.154 31.154 31.092 0.062 19852 7458 1 8 . 1 1 76 76 ARG H H 76 7.143 7.143 8.578 -1.435 19852 7459 1 8 . 1 1 77 77 ASP N N 77 129.236 129.236 122.354 6.882 19852 7460 1 8 . 1 1 77 77 ASP C C 77 177.152 177.152 178.544 -1.392 19852 7461 1 8 . 1 1 77 77 ASP CA C 77 52.822 52.822 57.990 -5.168 19852 7462 1 8 . 1 1 77 77 ASP CB C 77 41.695 41.695 40.604 1.091 19852 7463 1 8 . 1 1 77 77 ASP H H 77 8.947 8.947 8.945 0.002 19852 7464 1 8 . 1 1 78 78 GLY N N 78 127.244 127.244 107.519 19.725 19852 7465 1 8 . 1 1 78 78 GLY C C 78 173.928 173.928 175.254 -1.326 19852 7466 1 8 . 1 1 78 78 GLY CA C 78 44.623 44.623 47.025 -2.402 19852 7467 1 8 . 1 1 78 78 GLY H H 78 8.219 8.219 8.594 -0.375 19852 7468 1 8 . 1 1 79 79 TYR N N 79 120.537 120.537 121.335 -0.798 19852 7469 1 8 . 1 1 79 79 TYR C C 79 176.273 176.273 176.719 -0.446 19852 7470 1 8 . 1 1 79 79 TYR CA C 79 58.678 58.678 60.954 -2.276 19852 7471 1 8 . 1 1 79 79 TYR CB C 79 40.524 40.524 38.715 1.809 19852 7472 1 8 . 1 1 79 79 TYR H H 79 8.563 8.563 7.545 1.018 19852 7473 1 8 . 1 1 80 80 TYR N N 80 115.822 115.822 115.805 0.017 19852 7474 1 8 . 1 1 80 80 TYR C C 80 175.979 175.979 176.496 -0.517 19852 7475 1 8 . 1 1 80 80 TYR CA C 80 58.092 58.092 60.998 -2.906 19852 7476 1 8 . 1 1 80 80 TYR CB C 80 38.181 38.181 38.518 -0.337 19852 7477 1 8 . 1 1 80 80 TYR H H 80 7.194 7.194 7.429 -0.235 19852 7478 1 8 . 1 1 81 81 ILE N N 81 120.072 120.072 118.210 1.862 19852 7479 1 8 . 1 1 81 81 ILE C C 81 177.445 177.445 175.982 1.463 19852 7480 1 8 . 1 1 81 81 ILE CA C 81 67.462 67.462 63.691 3.771 19852 7481 1 8 . 1 1 81 81 ILE CB C 81 41.109 41.109 37.944 3.165 19852 7482 1 8 . 1 1 81 81 ILE H H 81 8.837 8.837 7.997 0.840 19852 7483 1 8 . 1 1 82 82 GLN N N 82 109.580 109.580 118.529 -8.949 19852 7484 1 8 . 1 1 82 82 GLN C C 82 177.152 177.152 174.513 2.639 19852 7485 1 8 . 1 1 82 82 GLN CA C 82 56.336 56.336 56.386 -0.050 19852 7486 1 8 . 1 1 82 82 GLN CB C 82 24.126 24.126 26.379 -2.253 19852 7487 1 8 . 1 1 82 82 GLN H H 82 8.493 8.493 8.721 -0.228 19852 7488 1 8 . 1 1 83 83 ALA N N 83 109.713 109.713 120.823 -11.110 19852 7489 1 8 . 1 1 83 83 ALA C C 83 175.979 175.979 176.899 -0.920 19852 7490 1 8 . 1 1 83 83 ALA CA C 83 54.579 54.579 52.834 1.745 19852 7491 1 8 . 1 1 83 83 ALA CB C 83 16.513 16.513 19.185 -2.672 19852 7492 1 8 . 1 1 83 83 ALA H H 83 6.306 6.306 7.375 -1.069 19852 7493 1 8 . 1 1 84 84 GLN N N 84 131.380 131.380 123.091 8.289 19852 7494 1 8 . 1 1 84 84 GLN C C 84 175.686 175.686 176.175 -0.489 19852 7495 1 8 . 1 1 84 84 GLN CA C 84 51.065 51.065 56.959 -5.894 19852 7496 1 8 . 1 1 84 84 GLN CB C 84 32.325 32.325 31.282 1.043 19852 7497 1 8 . 1 1 84 84 GLN H H 84 11.169 11.169 8.560 2.609 19852 7498 1 8 . 1 1 85 85 CYS N N 85 124.322 124.322 112.703 11.619 19852 7499 1 8 . 1 1 85 85 CYS C C 85 173.049 173.049 172.725 0.324 19852 7500 1 8 . 1 1 85 85 CYS CA C 85 57.507 57.507 55.893 1.614 19852 7501 1 8 . 1 1 85 85 CYS CB C 85 35.253 35.253 31.856 3.397 19852 7502 1 8 . 1 1 85 85 CYS H H 85 8.602 8.602 8.147 0.455 19852 7503 1 8 . 1 1 86 86 ALA N N 86 114.295 114.295 122.140 -7.845 19852 7504 1 8 . 1 1 86 86 ALA CA C 86 57.507 57.507 50.797 6.710 19852 7505 1 8 . 1 1 86 86 ALA CB C 86 21.784 21.784 22.668 -0.884 19852 7506 1 8 . 1 1 86 86 ALA H H 86 6.897 6.897 8.812 -1.915 19852 7507 1 8 . 1 1 87 87 ILE N N 87 120.670 120.670 121.128 -0.458 19852 7508 1 8 . 1 1 87 87 ILE C C 87 173.928 173.928 174.655 -0.727 19852 7509 1 8 . 1 1 87 87 ILE CA C 87 61.020 61.020 59.932 1.088 19852 7510 1 8 . 1 1 87 87 ILE CB C 87 39.938 39.938 41.223 -1.285 19852 7511 1 8 . 1 1 87 87 ILE H H 87 8.282 8.282 8.629 -0.347 19852 7512 1 8 . 1 1 88 88 ILE N N 88 120.205 120.205 127.225 -7.020 19852 7513 1 8 . 1 1 88 88 ILE C C 88 173.635 173.635 175.107 -1.472 19852 7514 1 8 . 1 1 88 88 ILE CA C 88 64.534 64.534 60.038 4.496 19852 7515 1 8 . 1 1 88 88 ILE CB C 88 37.596 37.596 40.060 -2.464 19852 7516 1 8 . 1 1 88 88 ILE H H 88 5.528 5.528 8.928 -3.400 19852 7517 1 8 . 1 1 89 89 MET N N 89 119.209 119.209 125.619 -6.410 19852 7518 1 8 . 1 1 89 89 MET C C 89 176.566 176.566 175.423 1.143 19852 7519 1 8 . 1 1 89 89 MET CA C 89 56.921 56.921 53.960 2.961 19852 7520 1 8 . 1 1 89 89 MET CB C 89 34.668 34.668 35.275 -0.607 19852 7521 1 8 . 1 1 89 89 MET H H 89 8.164 8.164 8.843 -0.679 19852 7522 1 8 . 1 1 90 90 PHE N N 90 121.134 121.134 117.479 3.655 19852 7523 1 8 . 1 1 90 90 PHE C C 90 175.393 175.393 173.449 1.944 19852 7524 1 8 . 1 1 90 90 PHE CA C 90 60.435 60.435 55.449 4.986 19852 7525 1 8 . 1 1 90 90 PHE CB C 90 38.767 38.767 42.338 -3.571 19852 7526 1 8 . 1 1 90 90 PHE H H 90 9.334 9.334 8.702 0.632 19852 7527 1 8 . 1 1 91 91 ASP N N 91 125.185 125.185 121.097 4.088 19852 7528 1 8 . 1 1 91 91 ASP C C 91 176.566 176.566 177.940 -1.374 19852 7529 1 8 . 1 1 91 91 ASP CA C 91 52.822 52.822 52.252 0.570 19852 7530 1 8 . 1 1 91 91 ASP CB C 91 39.938 39.938 42.802 -2.864 19852 7531 1 8 . 1 1 91 91 ASP H H 91 9.056 9.056 8.816 0.240 19852 7532 1 8 . 1 1 92 92 VAL N N 92 115.158 115.158 123.389 -8.231 19852 7533 1 8 . 1 1 92 92 VAL C C 92 173.342 173.342 176.695 -3.353 19852 7534 1 8 . 1 1 92 92 VAL CA C 92 64.534 64.534 65.041 -0.507 19852 7535 1 8 . 1 1 92 92 VAL CB C 92 37.596 37.596 31.382 6.214 19852 7536 1 8 . 1 1 92 92 VAL H H 92 7.738 7.738 8.559 -0.821 19852 7537 1 8 . 1 1 93 93 THR N N 93 112.302 112.302 110.275 2.027 19852 7538 1 8 . 1 1 93 93 THR C C 93 177.152 177.152 174.781 2.371 19852 7539 1 8 . 1 1 93 93 THR CA C 93 64.534 64.534 63.297 1.237 19852 7540 1 8 . 1 1 93 93 THR CB C 93 72.147 72.147 69.183 2.965 19852 7541 1 8 . 1 1 93 93 THR H H 93 7.269 7.269 8.255 -0.986 19852 7542 1 8 . 1 1 94 94 SER N N 94 122.263 122.263 116.456 5.807 19852 7543 1 8 . 1 1 94 94 SER C C 94 163.965 163.965 174.933 -10.968 19852 7544 1 8 . 1 1 94 94 SER CA C 94 59.849 59.849 55.552 4.297 19852 7545 1 8 . 1 1 94 94 SER CB C 94 62.192 62.192 64.140 -1.948 19852 7546 1 8 . 1 1 94 94 SER H H 94 7.628 7.628 7.821 -0.193 19852 7547 1 8 . 1 1 95 95 ARG N N 95 113.099 113.099 128.026 -14.927 19852 7548 1 8 . 1 1 95 95 ARG C C 95 176.273 176.273 177.962 -1.689 19852 7549 1 8 . 1 1 95 95 ARG CA C 95 53.407 53.407 59.478 -6.071 19852 7550 1 8 . 1 1 95 95 ARG CB C 95 31.154 31.154 30.116 1.038 19852 7551 1 8 . 1 1 95 95 ARG H H 95 8.102 8.102 9.015 -0.913 19852 7552 1 8 . 1 1 96 96 VAL N N 96 124.787 124.787 119.293 5.494 19852 7553 1 8 . 1 1 96 96 VAL C C 96 178.031 178.031 177.689 0.342 19852 7554 1 8 . 1 1 96 96 VAL CA C 96 68.634 68.634 66.403 2.231 19852 7555 1 8 . 1 1 96 96 VAL CB C 96 24.126 24.126 31.336 -7.210 19852 7556 1 8 . 1 1 96 96 VAL H H 96 9.146 9.146 8.130 1.016 19852 7557 1 8 . 1 1 97 97 THR N N 97 111.970 111.970 116.141 -4.171 19852 7558 1 8 . 1 1 97 97 THR C C 97 178.031 178.031 176.199 1.832 19852 7559 1 8 . 1 1 97 97 THR CA C 97 63.949 63.949 66.476 -2.527 19852 7560 1 8 . 1 1 97 97 THR CB C 97 70.390 70.390 68.913 1.477 19852 7561 1 8 . 1 1 97 97 THR H H 97 7.984 7.984 7.613 0.371 19852 7562 1 8 . 1 1 98 98 TYR N N 98 113.232 113.232 121.430 -8.198 19852 7563 1 8 . 1 1 98 98 TYR C C 98 176.273 176.273 177.620 -1.347 19852 7564 1 8 . 1 1 98 98 TYR H H 98 7.605 7.605 7.594 0.011 19852 7565 1 8 . 1 1 99 99 LYS N N 99 121.998 121.998 118.563 3.435 19852 7566 1 8 . 1 1 99 99 LYS C C 99 174.221 174.221 178.360 -4.139 19852 7567 1 8 . 1 1 99 99 LYS CA C 99 59.264 59.264 59.268 -0.004 19852 7568 1 8 . 1 1 99 99 LYS CB C 99 34.668 34.668 32.010 2.658 19852 7569 1 8 . 1 1 99 99 LYS H H 99 8.129 8.129 7.854 0.275 19852 7570 1 8 . 1 1 100 100 ASN N N 100 111.970 111.970 116.039 -4.069 19852 7571 1 8 . 1 1 100 100 ASN C C 100 175.979 175.979 176.631 -0.652 19852 7572 1 8 . 1 1 100 100 ASN CA C 100 53.407 53.407 54.896 -1.489 19852 7573 1 8 . 1 1 100 100 ASN CB C 100 37.596 37.596 38.559 -0.963 19852 7574 1 8 . 1 1 100 100 ASN H H 100 5.778 5.778 7.841 -2.063 19852 7575 1 8 . 1 1 101 101 VAL N N 101 118.877 118.877 121.691 -2.814 19852 7576 1 8 . 1 1 101 101 VAL C C 101 173.635 173.635 175.075 -1.440 19852 7577 1 8 . 1 1 101 101 VAL CA C 101 62.777 62.777 68.415 -5.638 19852 7578 1 8 . 1 1 101 101 VAL CB C 101 27.054 27.054 29.404 -2.350 19852 7579 1 8 . 1 1 101 101 VAL H H 101 7.370 7.370 7.436 -0.066 19852 7580 1 8 . 1 1 102 102 PRO C C 102 176.566 176.566 178.437 -1.871 19852 7581 1 8 . 1 1 102 102 PRO CA C 102 62.500 62.500 66.345 -3.845 19852 7582 1 8 . 1 1 102 102 PRO CB C 102 30.853 30.853 30.837 0.016 19852 7583 1 8 . 1 1 103 103 ASN N N 103 122.728 122.728 116.885 5.843 19852 7584 1 8 . 1 1 103 103 ASN C C 103 175.100 175.100 177.526 -2.426 19852 7585 1 8 . 1 1 103 103 ASN CA C 103 54.579 54.579 55.833 -1.254 19852 7586 1 8 . 1 1 103 103 ASN CB C 103 38.767 38.767 37.571 1.196 19852 7587 1 8 . 1 1 103 103 ASN H H 103 7.879 7.879 7.530 0.349 19852 7588 1 8 . 1 1 104 104 TRP N N 104 132.158 132.158 120.941 11.217 19852 7589 1 8 . 1 1 104 104 TRP C C 104 176.273 176.273 179.138 -2.865 19852 7590 1 8 . 1 1 104 104 TRP CA C 104 60.435 60.435 60.861 -0.426 19852 7591 1 8 . 1 1 104 104 TRP CB C 104 29.983 29.983 29.318 0.665 19852 7592 1 8 . 1 1 104 104 TRP H H 104 9.541 9.541 7.879 1.662 19852 7593 1 8 . 1 1 105 105 HIS N N 105 120.869 120.869 118.705 2.164 19852 7594 1 8 . 1 1 105 105 HIS C C 105 177.738 177.738 177.662 0.076 19852 7595 1 8 . 1 1 105 105 HIS H H 105 6.971 6.971 8.700 -1.729 19852 7596 1 8 . 1 1 106 106 ARG N N 106 126.314 126.314 118.815 7.499 19852 7597 1 8 . 1 1 106 106 ARG C C 106 176.566 176.566 178.730 -2.164 19852 7598 1 8 . 1 1 106 106 ARG CA C 106 62.777 62.777 59.972 2.805 19852 7599 1 8 . 1 1 106 106 ARG CB C 106 29.397 29.397 30.055 -0.658 19852 7600 1 8 . 1 1 106 106 ARG H H 106 7.507 7.507 8.337 -0.830 19852 7601 1 8 . 1 1 107 107 ASP N N 107 119.076 119.076 120.317 -1.241 19852 7602 1 8 . 1 1 107 107 ASP C C 107 176.566 176.566 178.369 -1.803 19852 7603 1 8 . 1 1 107 107 ASP CA C 107 55.164 55.164 57.066 -1.903 19852 7604 1 8 . 1 1 107 107 ASP CB C 107 41.695 41.695 40.379 1.316 19852 7605 1 8 . 1 1 107 107 ASP H H 107 9.076 9.076 7.951 1.125 19852 7606 1 8 . 1 1 108 108 LEU N N 108 113.299 113.299 121.282 -7.983 19852 7607 1 8 . 1 1 108 108 LEU C C 108 176.273 176.273 177.902 -1.629 19852 7608 1 8 . 1 1 108 108 LEU CA C 108 59.264 59.264 57.723 1.541 19852 7609 1 8 . 1 1 108 108 LEU CB C 108 48.722 48.722 41.759 6.963 19852 7610 1 8 . 1 1 108 108 LEU H H 108 6.725 6.725 7.835 -1.110 19852 7611 1 8 . 1 1 109 109 VAL N N 109 121.267 121.267 119.168 2.099 19852 7612 1 8 . 1 1 109 109 VAL C C 109 175.393 175.393 178.152 -2.759 19852 7613 1 8 . 1 1 109 109 VAL CA C 109 63.949 63.949 66.102 -2.152 19852 7614 1 8 . 1 1 109 109 VAL CB C 109 32.911 32.911 31.299 1.611 19852 7615 1 8 . 1 1 109 109 VAL H H 109 8.763 8.763 8.015 0.748 19852 7616 1 8 . 1 1 110 110 ARG N N 110 112.900 112.900 118.647 -5.747 19852 7617 1 8 . 1 1 110 110 ARG C C 110 176.273 176.273 178.284 -2.011 19852 7618 1 8 . 1 1 110 110 ARG CA C 110 57.507 57.507 58.925 -1.418 19852 7619 1 8 . 1 1 110 110 ARG CB C 110 30.568 30.568 30.243 0.325 19852 7620 1 8 . 1 1 110 110 ARG H H 110 7.241 7.241 7.739 -0.498 19852 7621 1 8 . 1 1 111 111 VAL N N 111 115.556 115.556 116.930 -1.374 19852 7622 1 8 . 1 1 111 111 VAL C C 111 177.445 177.445 176.353 1.092 19852 7623 1 8 . 1 1 111 111 VAL CA C 111 59.849 59.849 65.457 -5.608 19852 7624 1 8 . 1 1 111 111 VAL CB C 111 32.911 32.911 32.506 0.405 19852 7625 1 8 . 1 1 111 111 VAL H H 111 7.566 7.566 7.430 0.136 19852 7626 1 8 . 1 1 112 112 CYS N N 112 114.295 114.295 119.639 -5.344 19852 7627 1 8 . 1 1 112 112 CYS C C 112 169.826 169.826 173.284 -3.458 19852 7628 1 8 . 1 1 112 112 CYS CA C 112 57.507 57.507 57.838 -0.331 19852 7629 1 8 . 1 1 112 112 CYS CB C 112 35.839 35.839 29.340 6.499 19852 7630 1 8 . 1 1 112 112 CYS H H 112 7.425 7.425 8.189 -0.764 19852 7631 1 8 . 1 1 113 113 GLU N N 113 116.486 116.486 125.660 -9.174 19852 7632 1 8 . 1 1 113 113 GLU C C 113 176.566 176.566 175.593 0.973 19852 7633 1 8 . 1 1 113 113 GLU CA C 113 69.219 69.219 56.585 12.634 19852 7634 1 8 . 1 1 113 113 GLU CB C 113 30.568 30.568 30.538 0.030 19852 7635 1 8 . 1 1 113 113 GLU H H 113 7.241 7.241 8.652 -1.411 19852 7636 1 8 . 1 1 114 114 ASN N N 114 129.302 129.302 116.775 12.527 19852 7637 1 8 . 1 1 114 114 ASN C C 114 175.100 175.100 174.173 0.927 19852 7638 1 8 . 1 1 114 114 ASN CA C 114 52.236 52.236 53.862 -1.626 19852 7639 1 8 . 1 1 114 114 ASN CB C 114 39.938 39.938 37.349 2.589 19852 7640 1 8 . 1 1 114 114 ASN H H 114 8.919 8.919 8.619 0.300 19852 7641 1 8 . 1 1 115 115 ILE N N 115 110.443 110.443 120.436 -9.993 19852 7642 1 8 . 1 1 115 115 ILE C C 115 175.100 175.100 174.614 0.486 19852 7643 1 8 . 1 1 115 115 ILE CA C 115 65.705 65.705 57.238 8.467 19852 7644 1 8 . 1 1 115 115 ILE CB C 115 39.353 39.353 37.599 1.754 19852 7645 1 8 . 1 1 115 115 ILE H H 115 9.287 9.287 8.138 1.149 19852 7646 1 8 . 1 1 116 116 PRO C C 116 175.979 175.979 175.579 0.400 19852 7647 1 8 . 1 1 116 116 PRO CA C 116 63.086 63.086 62.886 0.200 19852 7648 1 8 . 1 1 116 116 PRO CB C 116 29.681 29.681 32.459 -2.778 19852 7649 1 8 . 1 1 117 117 ILE N N 117 123.591 123.591 123.352 0.239 19852 7650 1 8 . 1 1 117 117 ILE C C 117 174.807 174.807 175.217 -0.410 19852 7651 1 8 . 1 1 117 117 ILE CA C 117 66.291 66.291 60.181 6.110 19852 7652 1 8 . 1 1 117 117 ILE CB C 117 38.767 38.767 42.273 -3.506 19852 7653 1 8 . 1 1 117 117 ILE H H 117 7.781 7.781 8.578 -0.797 19852 7654 1 8 . 1 1 118 118 VAL N N 118 119.009 119.009 125.585 -6.576 19852 7655 1 8 . 1 1 118 118 VAL C C 118 178.324 178.324 174.582 3.742 19852 7656 1 8 . 1 1 118 118 VAL CA C 118 62.777 62.777 60.777 2.000 19852 7657 1 8 . 1 1 118 118 VAL CB C 118 31.154 31.154 33.791 -2.637 19852 7658 1 8 . 1 1 118 118 VAL H H 118 8.767 8.767 8.680 0.087 19852 7659 1 8 . 1 1 119 119 LEU N N 119 119.408 119.408 126.757 -7.349 19852 7660 1 8 . 1 1 119 119 LEU C C 119 178.031 178.031 176.170 1.861 19852 7661 1 8 . 1 1 119 119 LEU CA C 119 42.866 42.866 53.479 -10.613 19852 7662 1 8 . 1 1 119 119 LEU CB C 119 38.767 38.767 43.924 -5.157 19852 7663 1 8 . 1 1 119 119 LEU H H 119 7.734 7.734 8.907 -1.173 19852 7664 1 8 . 1 1 120 120 CYS N N 120 113.232 113.232 121.898 -8.666 19852 7665 1 8 . 1 1 120 120 CYS C C 120 178.031 178.031 174.205 3.826 19852 7666 1 8 . 1 1 120 120 CYS H H 120 8.317 8.317 8.981 -0.664 19852 7667 1 8 . 1 1 121 121 GLY N N 121 117.349 117.349 112.392 4.957 19852 7668 1 8 . 1 1 121 121 GLY C C 121 176.851 176.851 172.542 4.309 19852 7669 1 8 . 1 1 121 121 GLY CA C 121 41.109 41.109 43.646 -2.537 19852 7670 1 8 . 1 1 121 121 GLY H H 121 7.515 7.515 8.543 -1.028 19852 7671 1 8 . 1 1 122 122 ASN N N 122 125.318 125.318 124.229 1.089 19852 7672 1 8 . 1 1 122 122 ASN C C 122 175.686 175.686 175.513 0.173 19852 7673 1 8 . 1 1 122 122 ASN CA C 122 50.479 50.479 51.800 -1.321 19852 7674 1 8 . 1 1 122 122 ASN CB C 122 39.353 39.353 41.019 -1.666 19852 7675 1 8 . 1 1 122 122 ASN H H 122 9.162 9.162 8.477 0.685 19852 7676 1 8 . 1 1 123 123 LYS N N 123 124.920 124.920 118.115 6.805 19852 7677 1 8 . 1 1 123 123 LYS C C 123 176.566 176.566 177.158 -0.592 19852 7678 1 8 . 1 1 123 123 LYS CA C 123 70.976 70.976 57.737 13.239 19852 7679 1 8 . 1 1 123 123 LYS CB C 123 35.253 35.253 30.303 4.950 19852 7680 1 8 . 1 1 123 123 LYS H H 123 8.086 8.086 8.753 -0.667 19852 7681 1 8 . 1 1 124 124 VAL N N 124 125.517 125.517 112.653 12.864 19852 7682 1 8 . 1 1 124 124 VAL C C 124 177.738 177.738 176.083 1.655 19852 7683 1 8 . 1 1 124 124 VAL CA C 124 62.777 62.777 63.663 -0.886 19852 7684 1 8 . 1 1 124 124 VAL CB C 124 33.496 33.496 31.342 2.154 19852 7685 1 8 . 1 1 124 124 VAL H H 124 9.483 9.483 7.666 1.817 19852 7686 1 8 . 1 1 125 125 ASP N N 125 119.607 119.607 119.454 0.153 19852 7687 1 8 . 1 1 125 125 ASP C C 125 176.566 176.566 177.032 -0.466 19852 7688 1 8 . 1 1 125 125 ASP CA C 125 55.750 55.750 56.534 -0.784 19852 7689 1 8 . 1 1 125 125 ASP CB C 125 40.524 40.524 40.787 -0.263 19852 7690 1 8 . 1 1 125 125 ASP H H 125 7.875 7.875 7.721 0.154 19852 7691 1 8 . 1 1 126 126 ILE N N 126 116.088 116.088 120.657 -4.569 19852 7692 1 8 . 1 1 126 126 ILE C C 126 177.152 177.152 176.574 0.578 19852 7693 1 8 . 1 1 126 126 ILE CA C 126 66.291 66.291 61.742 4.549 19852 7694 1 8 . 1 1 126 126 ILE CB C 126 39.353 39.353 38.312 1.040 19852 7695 1 8 . 1 1 126 126 ILE H H 126 7.511 7.511 7.441 0.070 19852 7696 1 8 . 1 1 127 127 LYS N N 127 117.681 117.681 124.357 -6.676 19852 7697 1 8 . 1 1 127 127 LYS C C 127 177.152 177.152 176.960 0.192 19852 7698 1 8 . 1 1 127 127 LYS CA C 127 57.507 57.507 58.405 -0.898 19852 7699 1 8 . 1 1 127 127 LYS CB C 127 31.154 31.154 32.713 -1.559 19852 7700 1 8 . 1 1 127 127 LYS H H 127 8.059 8.059 8.415 -0.356 19852 7701 1 8 . 1 1 128 128 ASP N N 128 118.279 118.279 119.446 -1.167 19852 7702 1 8 . 1 1 128 128 ASP C C 128 176.566 176.566 175.110 1.456 19852 7703 1 8 . 1 1 128 128 ASP CA C 128 53.407 53.407 53.189 0.218 19852 7704 1 8 . 1 1 128 128 ASP CB C 128 40.524 40.524 40.255 0.268 19852 7705 1 8 . 1 1 128 128 ASP H H 128 7.241 7.241 8.052 -0.811 19852 7706 1 8 . 1 1 129 129 ARG N N 129 118.943 118.943 125.707 -6.764 19852 7707 1 8 . 1 1 129 129 ARG C C 129 177.738 177.738 175.681 2.057 19852 7708 1 8 . 1 1 129 129 ARG CA C 129 45.794 45.794 56.064 -10.270 19852 7709 1 8 . 1 1 129 129 ARG CB C 129 31.154 31.154 30.656 0.498 19852 7710 1 8 . 1 1 129 129 ARG H H 129 8.423 8.423 8.061 0.362 19852 7711 1 8 . 1 1 130 130 LYS N N 130 109.381 109.381 124.493 -15.112 19852 7712 1 8 . 1 1 130 130 LYS C C 130 176.566 176.566 177.059 -0.493 19852 7713 1 8 . 1 1 130 130 LYS CA C 130 55.164 55.164 56.654 -1.490 19852 7714 1 8 . 1 1 130 130 LYS CB C 130 36.424 36.424 33.389 3.034 19852 7715 1 8 . 1 1 130 130 LYS H H 130 7.296 7.296 8.268 -0.972 19852 7716 1 8 . 1 1 131 131 VAL N N 131 110.377 110.377 121.400 -11.023 19852 7717 1 8 . 1 1 131 131 VAL C C 131 178.617 178.617 174.741 3.876 19852 7718 1 8 . 1 1 131 131 VAL CA C 131 65.705 65.705 62.077 3.628 19852 7719 1 8 . 1 1 131 131 VAL CB C 131 35.839 35.839 31.434 4.405 19852 7720 1 8 . 1 1 131 131 VAL H H 131 9.283 9.283 8.373 0.910 19852 7721 1 8 . 1 1 132 132 LYS N N 132 110.310 110.310 128.234 -17.924 19852 7722 1 8 . 1 1 132 132 LYS C C 132 176.273 176.273 177.495 -1.222 19852 7723 1 8 . 1 1 132 132 LYS CA C 132 59.849 59.849 54.795 5.054 19852 7724 1 8 . 1 1 132 132 LYS CB C 132 35.253 35.253 34.412 0.841 19852 7725 1 8 . 1 1 132 132 LYS H H 132 9.709 9.709 7.685 2.024 19852 7726 1 8 . 1 1 133 133 ALA N N 133 134.349 134.349 122.862 11.487 19852 7727 1 8 . 1 1 133 133 ALA CA C 133 51.065 51.065 55.361 -4.296 19852 7728 1 8 . 1 1 133 133 ALA CB C 133 12.999 12.999 18.598 -5.599 19852 7729 1 8 . 1 1 133 133 ALA H H 133 6.322 6.322 8.598 -2.276 19852 7730 1 8 . 1 1 134 134 LYS N N 134 117.615 117.615 116.861 0.754 19852 7731 1 8 . 1 1 134 134 LYS C C 134 176.859 176.859 178.544 -1.685 19852 7732 1 8 . 1 1 134 134 LYS CA C 134 55.750 55.750 59.295 -3.545 19852 7733 1 8 . 1 1 134 134 LYS CB C 134 54.579 54.579 32.260 22.319 19852 7734 1 8 . 1 1 134 134 LYS H H 134 6.549 6.549 8.605 -2.056 19852 7735 1 8 . 1 1 135 135 SER N N 135 109.314 109.314 111.497 -2.183 19852 7736 1 8 . 1 1 135 135 SER C C 135 173.635 173.635 174.075 -0.440 19852 7737 1 8 . 1 1 135 135 SER CA C 135 56.336 56.336 57.625 -1.289 19852 7738 1 8 . 1 1 135 135 SER CB C 135 63.949 63.949 64.174 -0.225 19852 7739 1 8 . 1 1 135 135 SER H H 135 7.840 7.840 7.623 0.217 19852 7740 1 8 . 1 1 136 136 ILE N N 136 124.123 124.123 123.847 0.276 19852 7741 1 8 . 1 1 136 136 ILE C C 136 175.100 175.100 174.354 0.746 19852 7742 1 8 . 1 1 136 136 ILE CA C 136 68.634 68.634 61.305 7.329 19852 7743 1 8 . 1 1 136 136 ILE CB C 136 43.452 43.452 37.258 6.194 19852 7744 1 8 . 1 1 136 136 ILE H H 136 8.098 8.098 7.159 0.939 19852 7745 1 8 . 1 1 137 137 VAL N N 137 113.232 113.232 127.573 -14.341 19852 7746 1 8 . 1 1 137 137 VAL C C 137 176.859 176.859 176.657 0.202 19852 7747 1 8 . 1 1 137 137 VAL CA C 137 64.534 64.534 62.278 2.256 19852 7748 1 8 . 1 1 137 137 VAL CB C 137 34.082 34.082 32.249 1.833 19852 7749 1 8 . 1 1 137 137 VAL H H 137 7.711 7.711 8.345 -0.634 19852 7750 1 8 . 1 1 138 138 PHE N N 138 118.279 118.279 121.954 -3.675 19852 7751 1 8 . 1 1 138 138 PHE C C 138 175.393 175.393 176.200 -0.807 19852 7752 1 8 . 1 1 138 138 PHE CA C 138 58.092 58.092 61.672 -3.580 19852 7753 1 8 . 1 1 138 138 PHE CB C 138 39.353 39.353 38.914 0.439 19852 7754 1 8 . 1 1 138 138 PHE H H 138 8.317 8.317 8.017 0.300 19852 7755 1 8 . 1 1 139 139 HIS N N 139 107.654 107.654 115.868 -8.214 19852 7756 1 8 . 1 1 139 139 HIS C C 139 175.979 175.979 177.774 -1.795 19852 7757 1 8 . 1 1 139 139 HIS CA C 139 53.993 53.993 59.878 -5.885 19852 7758 1 8 . 1 1 139 139 HIS CB C 139 28.811 28.811 29.259 -0.449 19852 7759 1 8 . 1 1 139 139 HIS H H 139 8.016 8.016 7.959 0.057 19852 7760 1 8 . 1 1 140 140 ARG N N 140 117.084 117.084 120.017 -2.933 19852 7761 1 8 . 1 1 140 140 ARG C C 140 176.859 176.859 179.105 -2.246 19852 7762 1 8 . 1 1 140 140 ARG CA C 140 57.507 57.507 59.711 -2.204 19852 7763 1 8 . 1 1 140 140 ARG CB C 140 31.739 31.739 30.110 1.629 19852 7764 1 8 . 1 1 140 140 ARG H H 140 8.763 8.763 7.684 1.079 19852 7765 1 8 . 1 1 141 141 LYS N N 141 115.623 115.623 118.686 -3.063 19852 7766 1 8 . 1 1 141 141 LYS C C 141 173.635 173.635 177.908 -4.273 19852 7767 1 8 . 1 1 141 141 LYS CA C 141 58.092 58.092 58.600 -0.508 19852 7768 1 8 . 1 1 141 141 LYS CB C 141 33.496 33.496 32.153 1.343 19852 7769 1 8 . 1 1 141 141 LYS H H 141 7.449 7.449 7.822 -0.373 19852 7770 1 8 . 1 1 142 142 LYS N N 142 114.162 114.162 114.959 -0.797 19852 7771 1 8 . 1 1 142 142 LYS C C 142 175.979 175.979 175.927 0.052 19852 7772 1 8 . 1 1 142 142 LYS CA C 142 51.065 51.065 54.665 -3.600 19852 7773 1 8 . 1 1 142 142 LYS CB C 142 34.668 34.668 31.962 2.706 19852 7774 1 8 . 1 1 142 142 LYS H H 142 8.982 8.982 7.194 1.788 19852 7775 1 8 . 1 1 143 143 ASN N N 143 112.103 112.103 115.048 -2.945 19852 7776 1 8 . 1 1 143 143 ASN C C 143 175.100 175.100 174.089 1.011 19852 7777 1 8 . 1 1 143 143 ASN CA C 143 53.407 53.407 54.187 -0.780 19852 7778 1 8 . 1 1 143 143 ASN CB C 143 39.938 39.938 36.253 3.685 19852 7779 1 8 . 1 1 143 143 ASN H H 143 7.402 7.402 7.834 -0.432 19852 7780 1 8 . 1 1 144 144 LEU N N 144 118.810 118.810 117.460 1.350 19852 7781 1 8 . 1 1 144 144 LEU CA C 144 53.993 53.993 53.632 0.361 19852 7782 1 8 . 1 1 144 144 LEU CB C 144 42.866 42.866 43.965 -1.099 19852 7783 1 8 . 1 1 144 144 LEU H H 144 7.793 7.793 7.917 -0.124 19852 7784 1 8 . 1 1 145 145 GLN N N 145 119.607 119.607 117.555 2.052 19852 7785 1 8 . 1 1 145 145 GLN C C 145 176.859 176.859 174.200 2.659 19852 7786 1 8 . 1 1 145 145 GLN CA C 145 55.164 55.164 53.097 2.067 19852 7787 1 8 . 1 1 145 145 GLN CB C 145 29.983 29.983 30.748 -0.765 19852 7788 1 8 . 1 1 145 145 GLN H H 145 7.014 7.014 7.450 -0.436 19852 7789 1 8 . 1 1 146 146 TYR N N 146 119.275 119.275 124.900 -5.625 19852 7790 1 8 . 1 1 146 146 TYR C C 146 174.807 174.807 174.230 0.577 19852 7791 1 8 . 1 1 146 146 TYR CA C 146 62.777 62.777 56.102 6.675 19852 7792 1 8 . 1 1 146 146 TYR CB C 146 41.109 41.109 39.473 1.636 19852 7793 1 8 . 1 1 146 146 TYR H H 146 9.350 9.350 8.220 1.130 19852 7794 1 8 . 1 1 147 147 TYR N N 147 123.658 123.658 126.106 -2.448 19852 7795 1 8 . 1 1 147 147 TYR C C 147 177.738 177.738 173.194 4.544 19852 7796 1 8 . 1 1 147 147 TYR CA C 147 58.092 58.092 56.510 1.582 19852 7797 1 8 . 1 1 147 147 TYR CB C 147 39.938 39.938 42.208 -2.270 19852 7798 1 8 . 1 1 147 147 TYR H H 147 8.340 8.340 8.121 0.219 19852 7799 1 8 . 1 1 148 148 ASP N N 148 121.267 121.267 123.114 -1.847 19852 7800 1 8 . 1 1 148 148 ASP C C 148 176.859 176.859 175.404 1.455 19852 7801 1 8 . 1 1 148 148 ASP CA C 148 54.579 54.579 53.502 1.077 19852 7802 1 8 . 1 1 148 148 ASP CB C 148 41.109 41.109 41.678 -0.569 19852 7803 1 8 . 1 1 148 148 ASP H H 148 8.911 8.911 8.290 0.621 19852 7804 1 8 . 1 1 149 149 ILE N N 149 119.607 119.607 120.576 -0.969 19852 7805 1 8 . 1 1 149 149 ILE C C 149 174.807 174.807 174.298 0.509 19852 7806 1 8 . 1 1 149 149 ILE CA C 149 61.020 61.020 59.318 1.702 19852 7807 1 8 . 1 1 149 149 ILE CB C 149 39.353 39.353 42.188 -2.835 19852 7808 1 8 . 1 1 149 149 ILE H H 149 8.712 8.712 8.481 0.231 19852 7809 1 8 . 1 1 150 150 SER N N 150 117.349 117.349 117.499 -0.150 19852 7810 1 8 . 1 1 150 150 SER C C 150 175.686 175.686 174.221 1.465 19852 7811 1 8 . 1 1 150 150 SER CA C 150 60.435 60.435 56.988 3.447 19852 7812 1 8 . 1 1 150 150 SER CB C 150 62.192 62.192 65.878 -3.686 19852 7813 1 8 . 1 1 150 150 SER H H 150 8.454 8.454 8.609 -0.155 19852 7814 1 8 . 1 1 151 151 ALA N N 151 131.162 131.162 130.399 0.763 19852 7815 1 8 . 1 1 151 151 ALA C C 151 160.742 160.742 179.466 -18.724 19852 7816 1 8 . 1 1 151 151 ALA CA C 151 53.993 53.993 55.670 -1.677 19852 7817 1 8 . 1 1 151 151 ALA CB C 151 22.369 22.369 18.865 3.504 19852 7818 1 8 . 1 1 151 151 ALA H H 151 10.640 10.640 9.181 1.459 19852 7819 1 8 . 1 1 152 152 LYS N N 152 121.400 121.400 118.375 3.025 19852 7820 1 8 . 1 1 152 152 LYS C C 152 174.221 174.221 178.035 -3.814 19852 7821 1 8 . 1 1 152 152 LYS CA C 152 59.849 59.849 59.522 0.327 19852 7822 1 8 . 1 1 152 152 LYS CB C 152 34.668 34.668 32.363 2.305 19852 7823 1 8 . 1 1 152 152 LYS H H 152 9.099 9.099 8.724 0.375 19852 7824 1 8 . 1 1 153 153 SER N N 153 115.212 115.212 110.759 4.453 19852 7825 1 8 . 1 1 153 153 SER C C 153 177.152 177.152 174.122 3.030 19852 7826 1 8 . 1 1 153 153 SER CA C 153 62.192 62.192 57.739 4.453 19852 7827 1 8 . 1 1 153 153 SER CB C 153 66.291 66.291 63.667 2.624 19852 7828 1 8 . 1 1 153 153 SER H H 153 8.935 8.935 7.992 0.943 19852 7829 1 8 . 1 1 154 154 ASN N N 154 119.341 119.341 116.291 3.050 19852 7830 1 8 . 1 1 154 154 ASN C C 154 175.979 175.979 174.123 1.856 19852 7831 1 8 . 1 1 154 154 ASN CA C 154 49.894 49.894 54.541 -4.647 19852 7832 1 8 . 1 1 154 154 ASN CB C 154 39.353 39.353 36.361 2.993 19852 7833 1 8 . 1 1 154 154 ASN H H 154 7.488 7.488 7.746 -0.258 19852 7834 1 8 . 1 1 155 155 TYR N N 155 113.498 113.498 123.348 -9.850 19852 7835 1 8 . 1 1 155 155 TYR C C 155 173.928 173.928 175.292 -1.364 19852 7836 1 8 . 1 1 155 155 TYR CA C 155 56.336 56.336 59.858 -3.522 19852 7837 1 8 . 1 1 155 155 TYR CB C 155 37.596 37.596 39.035 -1.439 19852 7838 1 8 . 1 1 155 155 TYR H H 155 6.486 6.486 8.272 -1.786 19852 7839 1 8 . 1 1 156 156 ASN N N 156 122.396 122.396 123.101 -0.705 19852 7840 1 8 . 1 1 156 156 ASN C C 156 175.979 175.979 174.451 1.528 19852 7841 1 8 . 1 1 156 156 ASN CA C 156 51.651 51.651 54.181 -2.530 19852 7842 1 8 . 1 1 156 156 ASN CB C 156 38.767 38.767 35.908 2.858 19852 7843 1 8 . 1 1 156 156 ASN H H 156 8.352 8.352 8.783 -0.431 19852 7844 1 8 . 1 1 157 157 PHE N N 157 123.459 123.459 118.817 4.642 19852 7845 1 8 . 1 1 157 157 PHE C C 157 174.221 174.221 176.753 -2.532 19852 7846 1 8 . 1 1 157 157 PHE CA C 157 57.507 57.507 60.968 -3.461 19852 7847 1 8 . 1 1 157 157 PHE CB C 157 39.353 39.353 39.584 -0.231 19852 7848 1 8 . 1 1 157 157 PHE H H 157 7.429 7.429 7.503 -0.074 19852 7849 1 8 . 1 1 158 158 GLU N N 158 112.568 112.568 118.668 -6.100 19852 7850 1 8 . 1 1 158 158 GLU C C 158 176.566 176.566 178.668 -2.102 19852 7851 1 8 . 1 1 158 158 GLU CA C 158 72.147 72.147 59.484 12.663 19852 7852 1 8 . 1 1 158 158 GLU CB C 158 27.640 27.640 29.025 -1.385 19852 7853 1 8 . 1 1 158 158 GLU H H 158 7.495 7.495 9.008 -1.513 19852 7854 1 8 . 1 1 159 159 LYS N N 159 113.232 113.232 118.605 -5.373 19852 7855 1 8 . 1 1 159 159 LYS C C 159 176.566 176.566 175.671 0.895 19852 7856 1 8 . 1 1 159 159 LYS CA C 159 53.993 53.993 60.792 -6.799 19852 7857 1 8 . 1 1 159 159 LYS CB C 159 33.496 33.496 29.921 3.575 19852 7858 1 8 . 1 1 159 159 LYS H H 159 6.862 6.862 8.210 -1.348 19852 7859 1 8 . 1 1 160 160 PRO C C 160 176.273 176.273 178.393 -2.120 19852 7860 1 8 . 1 1 160 160 PRO CA C 160 64.258 64.258 65.286 -1.028 19852 7861 1 8 . 1 1 160 160 PRO CB C 160 32.318 32.318 30.966 1.352 19852 7862 1 8 . 1 1 161 161 PHE N N 161 120.271 120.271 117.212 3.059 19852 7863 1 8 . 1 1 161 161 PHE C C 161 175.100 175.100 177.843 -2.743 19852 7864 1 8 . 1 1 161 161 PHE CA C 161 56.336 56.336 61.589 -5.253 19852 7865 1 8 . 1 1 161 161 PHE CB C 161 39.353 39.353 37.719 1.634 19852 7866 1 8 . 1 1 161 161 PHE H H 161 8.074 8.074 7.118 0.956 19852 7867 1 8 . 1 1 162 162 LEU N N 162 110.177 110.177 120.213 -10.036 19852 7868 1 8 . 1 1 162 162 LEU C C 162 176.273 176.273 177.988 -1.715 19852 7869 1 8 . 1 1 162 162 LEU CA C 162 55.750 55.750 58.085 -2.335 19852 7870 1 8 . 1 1 162 162 LEU CB C 162 44.037 44.037 41.055 2.982 19852 7871 1 8 . 1 1 162 162 LEU H H 162 7.527 7.527 7.967 -0.440 19852 7872 1 8 . 1 1 163 163 TRP N N 163 123.525 123.525 120.727 2.798 19852 7873 1 8 . 1 1 163 163 TRP C C 163 177.152 177.152 178.038 -0.886 19852 7874 1 8 . 1 1 163 163 TRP CA C 163 61.606 61.606 62.329 -0.723 19852 7875 1 8 . 1 1 163 163 TRP CB C 163 28.811 28.811 29.491 -0.680 19852 7876 1 8 . 1 1 163 163 TRP H H 163 7.476 7.476 7.878 -0.402 19852 7877 1 8 . 1 1 164 164 LEU N N 164 119.740 119.740 119.023 0.717 19852 7878 1 8 . 1 1 164 164 LEU C C 164 175.686 175.686 179.012 -3.326 19852 7879 1 8 . 1 1 164 164 LEU CA C 164 61.020 61.020 57.923 3.097 19852 7880 1 8 . 1 1 164 164 LEU CB C 164 45.794 45.794 41.429 4.365 19852 7881 1 8 . 1 1 164 164 LEU H H 164 9.412 9.412 8.090 1.322 19852 7882 1 8 . 1 1 165 165 ALA N N 165 118.013 118.013 121.582 -3.569 19852 7883 1 8 . 1 1 165 165 ALA C C 165 165.723 165.723 179.635 -13.912 19852 7884 1 8 . 1 1 165 165 ALA CA C 165 52.236 52.236 55.368 -3.132 19852 7885 1 8 . 1 1 165 165 ALA CB C 165 21.784 21.784 18.292 3.492 19852 7886 1 8 . 1 1 165 165 ALA H H 165 7.707 7.707 8.489 -0.782 19852 7887 1 8 . 1 1 166 166 ARG N N 166 122.994 122.994 118.146 4.848 19852 7888 1 8 . 1 1 166 166 ARG C C 166 175.979 175.979 179.119 -3.140 19852 7889 1 8 . 1 1 166 166 ARG CA C 166 49.308 49.308 59.268 -9.960 19852 7890 1 8 . 1 1 166 166 ARG CB C 166 29.397 29.397 30.080 -0.683 19852 7891 1 8 . 1 1 166 166 ARG H H 166 8.692 8.692 8.124 0.568 19852 7892 1 8 . 1 1 167 167 LYS N N 167 112.568 112.568 119.494 -6.926 19852 7893 1 8 . 1 1 167 167 LYS C C 167 176.273 176.273 179.271 -2.998 19852 7894 1 8 . 1 1 167 167 LYS CA C 167 58.092 58.092 58.489 -0.397 19852 7895 1 8 . 1 1 167 167 LYS CB C 167 34.668 34.668 31.623 3.045 19852 7896 1 8 . 1 1 167 167 LYS H H 167 6.819 6.819 7.578 -0.759 19852 7897 1 8 . 1 1 168 168 LEU N N 168 114.959 114.959 119.705 -4.746 19852 7898 1 8 . 1 1 168 168 LEU C C 168 177.738 177.738 179.095 -1.357 19852 7899 1 8 . 1 1 168 168 LEU CA C 168 56.921 56.921 57.464 -0.542 19852 7900 1 8 . 1 1 168 168 LEU CB C 168 41.695 41.695 41.514 0.181 19852 7901 1 8 . 1 1 168 168 LEU H H 168 7.269 7.269 7.915 -0.646 19852 7902 1 8 . 1 1 169 169 ILE N N 169 124.986 124.986 117.222 7.764 19852 7903 1 8 . 1 1 169 169 ILE C C 169 171.877 171.877 177.093 -5.216 19852 7904 1 8 . 1 1 169 169 ILE CA C 169 68.048 68.048 63.170 4.878 19852 7905 1 8 . 1 1 169 169 ILE CB C 169 39.353 39.353 38.617 0.736 19852 7906 1 8 . 1 1 169 169 ILE H H 169 8.915 8.915 8.059 0.856 19852 7907 1 8 . 1 1 170 170 GLY N N 170 113.099 113.099 106.803 6.296 19852 7908 1 8 . 1 1 170 170 GLY C C 170 162.496 162.496 173.931 -11.435 19852 7909 1 8 . 1 1 170 170 GLY CA C 170 44.037 44.037 44.874 -0.837 19852 7910 1 8 . 1 1 170 170 GLY H H 170 6.686 6.686 7.981 -1.295 19852 7911 1 8 . 1 1 171 171 ASP N N 171 113.232 113.232 121.525 -8.293 19852 7912 1 8 . 1 1 171 171 ASP C C 171 178.910 178.910 175.567 3.343 19852 7913 1 8 . 1 1 171 171 ASP CA C 171 50.479 50.479 50.485 -0.006 19852 7914 1 8 . 1 1 171 171 ASP CB C 171 41.109 41.109 41.935 -0.826 19852 7915 1 8 . 1 1 171 171 ASP H H 171 6.815 6.815 7.660 -0.845 19852 7916 1 8 . 1 1 172 172 PRO C C 172 176.566 176.566 177.174 -0.608 19852 7917 1 8 . 1 1 172 172 PRO CA C 172 63.965 63.965 64.098 -0.133 19852 7918 1 8 . 1 1 172 172 PRO CB C 172 31.732 31.732 32.212 -0.480 19852 7919 1 8 . 1 1 173 173 ASN N N 173 109.779 109.779 116.769 -6.990 19852 7920 1 8 . 1 1 173 173 ASN C C 173 175.979 175.979 174.896 1.083 19852 7921 1 8 . 1 1 173 173 ASN CA C 173 54.579 54.579 52.967 1.612 19852 7922 1 8 . 1 1 173 173 ASN CB C 173 36.424 36.424 38.834 -2.410 19852 7923 1 8 . 1 1 173 173 ASN H H 173 8.016 8.016 8.479 -0.463 19852 7924 1 8 . 1 1 174 174 LEU N N 174 109.248 109.248 121.753 -12.505 19852 7925 1 8 . 1 1 174 174 LEU C C 174 176.566 176.566 175.390 1.176 19852 7926 1 8 . 1 1 174 174 LEU CA C 174 56.336 56.336 56.328 0.008 19852 7927 1 8 . 1 1 174 174 LEU CB C 174 44.037 44.037 42.611 1.426 19852 7928 1 8 . 1 1 174 174 LEU H H 174 7.871 7.871 7.204 0.667 19852 7929 1 8 . 1 1 175 175 GLU N N 175 125.185 125.185 123.416 1.769 19852 7930 1 8 . 1 1 175 175 GLU C C 175 177.445 177.445 174.727 2.718 19852 7931 1 8 . 1 1 175 175 GLU CA C 175 76.247 76.247 54.066 22.181 19852 7932 1 8 . 1 1 175 175 GLU CB C 175 28.811 28.811 33.797 -4.986 19852 7933 1 8 . 1 1 175 175 GLU H H 175 9.127 9.127 8.208 0.919 19852 7934 1 8 . 1 1 176 176 PHE N N 176 136.873 136.873 121.761 15.112 19852 7935 1 8 . 1 1 176 176 PHE C C 176 178.617 178.617 176.810 1.807 19852 7936 1 8 . 1 1 176 176 PHE CA C 176 59.264 59.264 56.113 3.151 19852 7937 1 8 . 1 1 176 176 PHE CB C 176 44.623 44.623 37.968 6.655 19852 7938 1 8 . 1 1 176 176 PHE H H 176 10.058 10.058 8.669 1.389 19852 7939 1 8 . 1 1 177 177 VAL N N 177 118.877 118.877 127.375 -8.498 19852 7940 1 8 . 1 1 177 177 VAL C C 177 177.445 177.445 176.558 0.887 19852 7941 1 8 . 1 1 177 177 VAL CA C 177 62.777 62.777 64.825 -2.048 19852 7942 1 8 . 1 1 177 177 VAL CB C 177 34.668 34.668 32.210 2.458 19852 7943 1 8 . 1 1 177 177 VAL H H 177 7.789 7.789 8.753 -0.964 19852 7944 1 8 . 1 1 178 178 ALA N N 178 128.904 128.904 119.927 8.977 19852 7945 1 8 . 1 1 178 178 ALA CA C 178 57.507 57.507 51.244 6.263 19852 7946 1 8 . 1 1 178 178 ALA CB C 178 19.441 19.441 21.475 -2.034 19852 7947 1 8 . 1 1 178 178 ALA H H 178 7.566 7.566 7.502 0.064 19852 7948 1 8 . 1 1 179 179 MET N N 179 120.736 120.736 122.619 -1.883 19852 7949 1 8 . 1 1 179 179 MET C C 179 176.859 176.859 174.676 2.183 19852 7950 1 8 . 1 1 179 179 MET CA C 179 56.336 56.336 52.418 3.918 19852 7951 1 8 . 1 1 179 179 MET CB C 179 34.668 34.668 33.711 0.957 19852 7952 1 8 . 1 1 179 179 MET H H 179 7.930 7.930 8.457 -0.527 19852 7953 1 8 . 1 1 180 180 PRO C C 180 177.445 177.445 175.767 1.678 19852 7954 1 8 . 1 1 180 180 PRO CA C 180 64.844 64.844 62.350 2.494 19852 7955 1 8 . 1 1 180 180 PRO CB C 180 29.974 29.974 32.138 -2.164 19852 7956 1 8 . 1 1 181 181 ALA N N 181 128.439 128.439 123.003 5.436 19852 7957 1 8 . 1 1 181 181 ALA C C 181 176.273 176.273 176.047 0.226 19852 7958 1 8 . 1 1 181 181 ALA CA C 181 58.092 58.092 52.449 5.643 19852 7959 1 8 . 1 1 181 181 ALA CB C 181 21.198 21.198 19.129 2.069 19852 7960 1 8 . 1 1 181 181 ALA H H 181 8.673 8.673 8.159 0.514 19852 7961 1 8 . 1 1 182 182 LEU N N 182 122.130 122.130 123.453 -1.323 19852 7962 1 8 . 1 1 182 182 LEU C C 182 177.445 177.445 176.886 0.559 19852 7963 1 8 . 1 1 182 182 LEU CA C 182 55.164 55.164 52.511 2.653 19852 7964 1 8 . 1 1 182 182 LEU CB C 182 42.866 42.866 45.267 -2.401 19852 7965 1 8 . 1 1 182 182 LEU H H 182 8.821 8.821 8.057 0.764 19852 7966 1 8 . 1 1 183 183 ALA N N 183 108.783 108.783 125.741 -16.958 19852 7967 1 8 . 1 1 183 183 ALA C C 183 160.742 160.742 175.500 -14.758 19852 7968 1 8 . 1 1 183 183 ALA CA C 183 51.651 51.651 50.652 0.999 19852 7969 1 8 . 1 1 183 183 ALA CB C 183 18.856 18.856 18.021 0.835 19852 7970 1 8 . 1 1 183 183 ALA H H 183 7.621 7.621 8.347 -0.726 19852 7971 1 8 . 1 1 184 184 PRO C C 184 177.152 177.152 175.053 2.099 19852 7972 1 8 . 1 1 184 184 PRO CA C 184 64.258 64.258 62.018 2.240 19852 7973 1 8 . 1 1 184 184 PRO CB C 184 29.681 29.681 31.598 -1.917 19852 7974 1 8 . 1 1 185 185 PRO C C 185 175.686 175.686 177.059 -1.373 19852 7975 1 8 . 1 1 185 185 PRO CA C 185 63.379 63.379 62.958 0.421 19852 7976 1 8 . 1 1 185 185 PRO CB C 185 35.248 35.248 32.274 2.974 19852 7977 1 8 . 1 1 186 186 GLU N N 186 104.931 104.931 123.593 -18.662 19852 7978 1 8 . 1 1 186 186 GLU C C 186 174.221 174.221 176.632 -2.411 19852 7979 1 8 . 1 1 186 186 GLU CA C 186 57.507 57.507 58.374 -0.867 19852 7980 1 8 . 1 1 186 186 GLU CB C 186 31.739 31.739 30.110 1.629 19852 7981 1 8 . 1 1 186 186 GLU H H 186 8.673 8.673 8.720 -0.047 19852 7982 1 8 . 1 1 187 187 VAL N N 187 124.455 124.455 112.300 12.155 19852 7983 1 8 . 1 1 187 187 VAL C C 187 178.910 178.910 174.231 4.679 19852 7984 1 8 . 1 1 187 187 VAL CA C 187 63.363 63.363 60.416 2.947 19852 7985 1 8 . 1 1 187 187 VAL CB C 187 34.082 34.082 34.869 -0.787 19852 7986 1 8 . 1 1 187 187 VAL H H 187 8.622 8.622 7.420 1.202 19852 7987 1 8 . 1 1 188 188 VAL N N 188 128.572 128.572 121.575 6.997 19852 7988 1 8 . 1 1 188 188 VAL C C 188 178.324 178.324 175.372 2.952 19852 7989 1 8 . 1 1 188 188 VAL CA C 188 68.634 68.634 61.678 6.956 19852 7990 1 8 . 1 1 188 188 VAL CB C 188 31.154 31.154 33.245 -2.091 19852 7991 1 8 . 1 1 188 188 VAL H H 188 8.497 8.497 8.205 0.292 19852 7992 1 8 . 1 1 189 189 MET N N 189 122.795 122.795 126.763 -3.968 19852 7993 1 8 . 1 1 189 189 MET C C 189 177.445 177.445 175.260 2.185 19852 7994 1 8 . 1 1 189 189 MET CA C 189 55.164 55.164 55.082 0.082 19852 7995 1 8 . 1 1 189 189 MET CB C 189 35.253 35.253 33.352 1.901 19852 7996 1 8 . 1 1 189 189 MET H H 189 6.991 6.991 8.477 -1.486 19852 7997 1 8 . 1 1 190 190 ASP N N 190 114.959 114.959 127.970 -13.011 19852 7998 1 8 . 1 1 190 190 ASP C C 190 175.686 175.686 175.525 0.161 19852 7999 1 8 . 1 1 190 190 ASP CA C 190 51.065 51.065 52.574 -1.509 19852 8000 1 8 . 1 1 190 190 ASP CB C 190 41.695 41.695 41.063 0.632 19852 8001 1 8 . 1 1 190 190 ASP H H 190 7.210 7.210 8.553 -1.343 19852 8002 1 8 . 1 1 191 191 PRO C C 191 176.566 176.566 178.176 -1.610 19852 8003 1 8 . 1 1 191 191 PRO CA C 191 63.965 63.965 65.552 -1.587 19852 8004 1 8 . 1 1 191 191 PRO CB C 191 31.146 31.146 31.878 -0.732 19852 8005 1 8 . 1 1 192 192 ALA N N 192 109.513 109.513 121.233 -11.720 19852 8006 1 8 . 1 1 192 192 ALA CA C 192 53.993 53.993 54.826 -0.833 19852 8007 1 8 . 1 1 192 192 ALA CB C 192 19.441 19.441 18.011 1.430 19852 8008 1 8 . 1 1 192 192 ALA H H 192 7.394 7.394 8.273 -0.879 19852 8009 1 8 . 1 1 193 193 LEU N N 193 119.009 119.009 119.688 -0.679 19852 8010 1 8 . 1 1 193 193 LEU C C 193 175.979 175.979 179.268 -3.289 19852 8011 1 8 . 1 1 193 193 LEU CA C 193 56.336 56.336 56.991 -0.655 19852 8012 1 8 . 1 1 193 193 LEU CB C 193 42.866 42.866 41.319 1.547 19852 8013 1 8 . 1 1 193 193 LEU H H 193 8.340 8.340 7.973 0.367 19852 8014 1 8 . 1 1 194 194 ALA N N 194 121.666 121.666 121.520 0.146 19852 8015 1 8 . 1 1 194 194 ALA C C 194 166.896 166.896 179.296 -12.400 19852 8016 1 8 . 1 1 194 194 ALA CA C 194 55.164 55.164 54.910 0.254 19852 8017 1 8 . 1 1 194 194 ALA CB C 194 16.513 16.513 18.135 -1.622 19852 8018 1 8 . 1 1 194 194 ALA H H 194 8.176 8.176 8.074 0.102 19852 8019 1 8 . 1 1 195 195 ALA N N 195 119.541 119.541 120.994 -1.453 19852 8020 1 8 . 1 1 195 195 ALA C C 195 173.928 173.928 179.819 -5.891 19852 8021 1 8 . 1 1 195 195 ALA CA C 195 57.507 57.507 55.156 2.351 19852 8022 1 8 . 1 1 195 195 ALA CB C 195 19.441 19.441 18.380 1.061 19852 8023 1 8 . 1 1 195 195 ALA H H 195 8.364 8.364 8.124 0.240 19852 8024 1 8 . 1 1 196 196 GLN N N 196 107.322 107.322 118.523 -11.201 19852 8025 1 8 . 1 1 196 196 GLN C C 196 176.273 176.273 178.819 -2.546 19852 8026 1 8 . 1 1 196 196 GLN CA C 196 56.921 56.921 59.162 -2.241 19852 8027 1 8 . 1 1 196 196 GLN CB C 196 29.983 29.983 28.824 1.159 19852 8028 1 8 . 1 1 196 196 GLN H H 196 7.910 7.910 7.983 -0.073 19852 8029 1 8 . 1 1 197 197 TYR N N 197 115.623 115.623 119.025 -3.402 19852 8030 1 8 . 1 1 197 197 TYR CA C 197 67.462 67.462 59.874 7.588 19852 8031 1 8 . 1 1 197 197 TYR CB C 197 41.695 41.695 37.758 3.937 19852 8032 1 8 . 1 1 197 197 TYR H H 197 8.196 8.196 8.288 -0.092 19852 8033 1 8 . 1 1 198 198 GLU N N 198 110.244 110.244 119.057 -8.813 19852 8034 1 8 . 1 1 198 198 GLU C C 198 176.273 176.273 178.894 -2.621 19852 8035 1 8 . 1 1 198 198 GLU CA C 198 53.407 53.407 59.524 -6.117 19852 8036 1 8 . 1 1 198 198 GLU CB C 198 30.568 30.568 29.321 1.247 19852 8037 1 8 . 1 1 198 198 GLU H H 198 7.523 7.523 8.301 -0.778 19852 8038 1 8 . 1 1 199 199 HIS N N 199 118.611 118.611 120.364 -1.753 19852 8039 1 8 . 1 1 199 199 HIS C C 199 175.686 175.686 177.291 -1.605 19852 8040 1 8 . 1 1 199 199 HIS CA C 199 56.921 56.921 59.656 -2.735 19852 8041 1 8 . 1 1 199 199 HIS CB C 199 28.226 28.226 29.822 -1.596 19852 8042 1 8 . 1 1 199 199 HIS H H 199 8.512 8.512 8.475 0.037 19852 8043 1 8 . 1 1 200 200 ASP N N 200 120.736 120.736 120.100 0.636 19852 8044 1 8 . 1 1 200 200 ASP C C 200 176.273 176.273 178.538 -2.265 19852 8045 1 8 . 1 1 200 200 ASP CA C 200 56.921 56.921 57.885 -0.964 19852 8046 1 8 . 1 1 200 200 ASP CB C 200 40.524 40.524 40.582 -0.058 19852 8047 1 8 . 1 1 200 200 ASP H H 200 7.519 7.519 8.450 -0.931 19852 8048 1 8 . 1 1 201 201 LEU N N 201 116.353 116.353 121.207 -4.854 19852 8049 1 8 . 1 1 201 201 LEU C C 201 178.910 178.910 178.536 0.374 19852 8050 1 8 . 1 1 201 201 LEU CA C 201 61.606 61.606 57.808 3.798 19852 8051 1 8 . 1 1 201 201 LEU CB C 201 41.109 41.109 41.996 -0.887 19852 8052 1 8 . 1 1 201 201 LEU H H 201 7.722 7.722 7.947 -0.226 19852 8053 1 8 . 1 1 202 202 GLU N N 202 118.080 118.080 118.778 -0.698 19852 8054 1 8 . 1 1 202 202 GLU C C 202 176.566 176.566 179.115 -2.549 19852 8055 1 8 . 1 1 202 202 GLU CA C 202 56.921 56.921 59.605 -2.684 19852 8056 1 8 . 1 1 202 202 GLU CB C 202 30.568 30.568 29.711 0.857 19852 8057 1 8 . 1 1 202 202 GLU H H 202 8.857 8.857 8.012 0.845 19852 8058 1 8 . 1 1 203 203 VAL N N 203 129.369 129.369 119.262 10.107 19852 8059 1 8 . 1 1 203 203 VAL C C 203 178.617 178.617 178.028 0.589 19852 8060 1 8 . 1 1 203 203 VAL CA C 203 64.534 64.534 66.588 -2.054 19852 8061 1 8 . 1 1 203 203 VAL CB C 203 27.640 27.640 31.569 -3.929 19852 8062 1 8 . 1 1 203 203 VAL H H 203 9.283 9.283 8.089 1.194 19852 8063 1 8 . 1 1 204 204 ALA N N 204 109.580 109.580 118.716 -9.136 19852 8064 1 8 . 1 1 204 204 ALA C C 204 176.859 176.859 179.043 -2.184 19852 8065 1 8 . 1 1 204 204 ALA CA C 204 54.579 54.579 52.746 1.833 19852 8066 1 8 . 1 1 204 204 ALA CB C 204 18.270 18.270 18.414 -0.144 19852 8067 1 8 . 1 1 204 204 ALA H H 204 8.528 8.528 7.562 0.966 19852 8068 1 8 . 1 1 205 205 GLN N N 205 115.756 115.756 119.532 -3.776 19852 8069 1 8 . 1 1 205 205 GLN C C 205 175.979 175.979 177.741 -1.762 19852 8070 1 8 . 1 1 205 205 GLN CA C 205 48.137 48.137 58.595 -10.458 19852 8071 1 8 . 1 1 205 205 GLN CB C 205 25.883 25.883 28.809 -2.926 19852 8072 1 8 . 1 1 205 205 GLN H H 205 7.973 7.973 7.559 0.414 19852 8073 1 8 . 1 1 206 206 THR N N 206 120.271 120.271 111.062 9.209 19852 8074 1 8 . 1 1 206 206 THR C C 206 176.273 176.273 174.053 2.220 19852 8075 1 8 . 1 1 206 206 THR CA C 206 67.462 67.462 61.778 5.684 19852 8076 1 8 . 1 1 206 206 THR CB C 206 70.390 70.390 66.870 3.520 19852 8077 1 8 . 1 1 206 206 THR H H 206 7.585 7.585 7.587 -0.002 19852 8078 1 8 . 1 1 207 207 THR N N 207 111.970 111.970 110.557 1.413 19852 8079 1 8 . 1 1 207 207 THR C C 207 176.566 176.566 173.940 2.626 19852 8080 1 8 . 1 1 207 207 THR CA C 207 64.534 64.534 63.373 1.161 19852 8081 1 8 . 1 1 207 207 THR CB C 207 72.733 72.733 66.515 6.218 19852 8082 1 8 . 1 1 207 207 THR H H 207 7.468 7.468 7.913 -0.445 19852 8083 1 8 . 1 1 208 208 ALA N N 208 115.623 115.623 122.163 -6.540 19852 8084 1 8 . 1 1 208 208 ALA C C 208 168.947 168.947 177.191 -8.244 19852 8085 1 8 . 1 1 208 208 ALA CA C 208 55.164 55.164 51.085 4.079 19852 8086 1 8 . 1 1 208 208 ALA CB C 208 22.369 22.369 20.476 1.893 19852 8087 1 8 . 1 1 208 208 ALA H H 208 7.390 7.390 7.715 -0.325 19852 8088 1 8 . 1 1 209 209 LEU N N 209 117.814 117.814 118.070 -0.256 19852 8089 1 8 . 1 1 209 209 LEU C C 209 176.273 176.273 175.449 0.824 19852 8090 1 8 . 1 1 209 209 LEU CA C 209 58.678 58.678 56.827 1.851 19852 8091 1 8 . 1 1 209 209 LEU CB C 209 46.380 46.380 39.937 6.443 19852 8092 1 8 . 1 1 209 209 LEU H H 209 7.652 7.652 8.289 -0.637 19852 8093 1 8 . 1 1 210 210 PRO C C 210 176.566 176.566 177.023 -0.457 19852 8094 1 8 . 1 1 210 210 PRO CA C 210 63.086 63.086 62.994 0.092 19852 8095 1 8 . 1 1 210 210 PRO CB C 210 31.146 31.146 31.987 -0.841 19852 8096 1 8 . 1 1 211 211 ASP N N 211 121.134 121.134 124.734 -3.600 19852 8097 1 8 . 1 1 211 211 ASP C C 211 176.273 176.273 178.530 -2.257 19852 8098 1 8 . 1 1 211 211 ASP CA C 211 52.236 52.236 57.130 -4.894 19852 8099 1 8 . 1 1 211 211 ASP CB C 211 42.281 42.281 40.734 1.547 19852 8100 1 8 . 1 1 211 211 ASP H H 211 9.510 9.510 8.682 0.828 19852 8101 1 8 . 1 1 212 212 GLU N N 212 131.162 131.162 118.761 12.401 19852 8102 1 8 . 1 1 212 212 GLU C C 212 176.273 176.273 178.793 -2.520 19852 8103 1 8 . 1 1 212 212 GLU CA C 212 55.164 55.164 58.907 -3.743 19852 8104 1 8 . 1 1 212 212 GLU CB C 212 30.568 30.568 29.495 1.073 19852 8105 1 8 . 1 1 212 212 GLU H H 212 8.399 8.399 8.144 0.255 19852 8106 1 8 . 1 1 213 213 ASP N N 213 115.822 115.822 118.890 -3.068 19852 8107 1 8 . 1 1 213 213 ASP C C 213 174.807 174.807 178.814 -4.007 19852 8108 1 8 . 1 1 213 213 ASP CA C 213 51.065 51.065 56.749 -5.684 19852 8109 1 8 . 1 1 213 213 ASP CB C 213 41.109 41.109 40.431 0.678 19852 8110 1 8 . 1 1 213 213 ASP H H 213 10.699 10.699 7.650 3.049 19852 8111 1 8 . 1 1 214 214 ASP N N 214 112.369 112.369 118.694 -6.325 19852 8112 1 8 . 1 1 214 214 ASP C C 214 178.910 178.910 176.984 1.926 19852 8113 1 8 . 1 1 214 214 ASP CA C 214 54.579 54.579 56.023 -1.444 19852 8114 1 8 . 1 1 214 214 ASP CB C 214 39.353 39.353 41.056 -1.702 19852 8115 1 8 . 1 1 214 214 ASP H H 214 7.464 7.464 7.835 -0.371 19852 8116 1 8 . 1 1 215 215 ASP N N 215 127.244 127.244 118.203 9.041 19852 8117 1 8 . 1 1 215 215 ASP C C 215 176.859 176.859 177.278 -0.419 19852 8118 1 8 . 1 1 215 215 ASP CA C 215 54.579 54.579 56.559 -1.980 19852 8119 1 8 . 1 1 215 215 ASP CB C 215 40.524 40.524 41.280 -0.756 19852 8120 1 8 . 1 1 215 215 ASP H H 215 8.301 8.301 7.907 0.394 19852 8121 1 9 . 1 1 2 2 ALA N N 2 131.228 131.228 124.087 7.141 19852 8122 1 9 . 1 1 2 2 ALA C C 2 187.031 187.031 177.476 9.555 19852 8123 1 9 . 1 1 2 2 ALA CA C 2 53.407 53.407 53.230 0.177 19852 8124 1 9 . 1 1 2 2 ALA CB C 2 20.027 20.027 18.901 1.126 19852 8125 1 9 . 1 1 2 2 ALA H H 2 10.644 10.644 8.276 2.368 19852 8126 1 9 . 1 1 3 3 ALA N N 3 124.521 124.521 121.151 3.370 19852 8127 1 9 . 1 1 3 3 ALA C C 3 176.566 176.566 176.779 -0.213 19852 8128 1 9 . 1 1 3 3 ALA CA C 3 49.894 49.894 50.992 -1.098 19852 8129 1 9 . 1 1 3 3 ALA CB C 3 18.270 18.270 20.107 -1.837 19852 8130 1 9 . 1 1 3 3 ALA H H 3 8.669 8.669 7.709 0.960 19852 8131 1 9 . 1 1 4 4 GLN N N 4 118.080 118.080 121.955 -3.875 19852 8132 1 9 . 1 1 4 4 GLN C C 4 176.273 176.273 177.337 -1.064 19852 8133 1 9 . 1 1 4 4 GLN CA C 4 54.579 54.579 56.159 -1.580 19852 8134 1 9 . 1 1 4 4 GLN CB C 4 27.054 27.054 29.312 -2.258 19852 8135 1 9 . 1 1 4 4 GLN H H 4 8.919 8.919 8.413 0.506 19852 8136 1 9 . 1 1 5 5 GLY N N 5 121.002 121.002 109.855 11.147 19852 8137 1 9 . 1 1 5 5 GLY C C 5 181.877 181.877 174.431 7.446 19852 8138 1 9 . 1 1 5 5 GLY CA C 5 45.794 45.794 45.008 0.785 19852 8139 1 9 . 1 1 5 5 GLY H H 5 8.082 8.082 8.737 -0.655 19852 8140 1 9 . 1 1 6 6 GLU N N 6 129.435 129.435 121.651 7.784 19852 8141 1 9 . 1 1 6 6 GLU C C 6 176.566 176.566 174.739 1.827 19852 8142 1 9 . 1 1 6 6 GLU CA C 6 56.336 56.336 55.011 1.325 19852 8143 1 9 . 1 1 6 6 GLU CB C 6 28.811 28.811 29.960 -1.149 19852 8144 1 9 . 1 1 6 6 GLU H H 6 9.267 9.267 8.214 1.053 19852 8145 1 9 . 1 1 7 7 PRO C C 7 176.566 176.566 176.098 0.468 19852 8146 1 9 . 1 1 7 7 PRO CA C 7 63.672 63.672 62.807 0.865 19852 8147 1 9 . 1 1 7 7 PRO CB C 7 31.146 31.146 32.390 -1.244 19852 8148 1 9 . 1 1 8 8 GLN N N 8 112.502 112.502 120.897 -8.395 19852 8149 1 9 . 1 1 8 8 GLN C C 8 177.445 177.445 176.307 1.138 19852 8150 1 9 . 1 1 8 8 GLN CA C 8 50.479 50.479 56.296 -5.817 19852 8151 1 9 . 1 1 8 8 GLN CB C 8 28.811 28.811 28.743 0.068 19852 8152 1 9 . 1 1 8 8 GLN H H 8 6.220 6.220 8.416 -2.196 19852 8153 1 9 . 1 1 9 9 VAL N N 9 117.416 117.416 128.581 -11.165 19852 8154 1 9 . 1 1 9 9 VAL C C 9 178.324 178.324 174.482 3.842 19852 8155 1 9 . 1 1 9 9 VAL CA C 9 63.363 63.363 62.330 1.033 19852 8156 1 9 . 1 1 9 9 VAL CB C 9 34.668 34.668 31.982 2.686 19852 8157 1 9 . 1 1 9 9 VAL H H 9 6.561 6.561 8.699 -2.138 19852 8158 1 9 . 1 1 10 10 GLN N N 10 113.896 113.896 124.485 -10.589 19852 8159 1 9 . 1 1 10 10 GLN C C 10 176.273 176.273 174.765 1.508 19852 8160 1 9 . 1 1 10 10 GLN CA C 10 55.164 55.164 54.000 1.164 19852 8161 1 9 . 1 1 10 10 GLN CB C 10 28.226 28.226 32.401 -4.175 19852 8162 1 9 . 1 1 10 10 GLN H H 10 7.847 7.847 8.165 -0.318 19852 8163 1 9 . 1 1 11 11 PHE N N 11 118.744 118.744 122.601 -3.857 19852 8164 1 9 . 1 1 11 11 PHE C C 11 176.566 176.566 174.796 1.770 19852 8165 1 9 . 1 1 11 11 PHE CA C 11 59.849 59.849 56.749 3.100 19852 8166 1 9 . 1 1 11 11 PHE CB C 11 41.109 41.109 42.213 -1.104 19852 8167 1 9 . 1 1 11 11 PHE H H 11 8.262 8.262 9.047 -0.785 19852 8168 1 9 . 1 1 12 12 LYS N N 12 124.123 124.123 123.048 1.075 19852 8169 1 9 . 1 1 12 12 LYS C C 12 177.152 177.152 175.317 1.835 19852 8170 1 9 . 1 1 12 12 LYS CA C 12 57.507 57.507 56.197 1.310 19852 8171 1 9 . 1 1 12 12 LYS CB C 12 28.811 28.811 33.469 -4.658 19852 8172 1 9 . 1 1 12 12 LYS H H 12 8.415 8.415 9.097 -0.681 19852 8173 1 9 . 1 1 13 13 LEU N N 13 112.103 112.103 129.089 -16.986 19852 8174 1 9 . 1 1 13 13 LEU C C 13 177.738 177.738 174.767 2.971 19852 8175 1 9 . 1 1 13 13 LEU CA C 13 54.579 54.579 53.530 1.049 19852 8176 1 9 . 1 1 13 13 LEU CB C 13 42.866 42.866 45.329 -2.463 19852 8177 1 9 . 1 1 13 13 LEU H H 13 6.905 6.905 9.330 -2.425 19852 8178 1 9 . 1 1 14 14 VAL N N 14 127.310 127.310 127.909 -0.599 19852 8179 1 9 . 1 1 14 14 VAL C C 14 175.393 175.393 174.072 1.321 19852 8180 1 9 . 1 1 14 14 VAL CA C 14 70.976 70.976 62.031 8.945 19852 8181 1 9 . 1 1 14 14 VAL CB C 14 28.811 28.811 32.856 -4.045 19852 8182 1 9 . 1 1 14 14 VAL H H 14 8.305 8.305 8.904 -0.599 19852 8183 1 9 . 1 1 15 15 LEU N N 15 121.400 121.400 130.433 -9.033 19852 8184 1 9 . 1 1 15 15 LEU C C 15 173.342 173.342 174.972 -1.630 19852 8185 1 9 . 1 1 15 15 LEU CA C 15 56.336 56.336 53.219 3.117 19852 8186 1 9 . 1 1 15 15 LEU CB C 15 41.695 41.695 44.701 -3.006 19852 8187 1 9 . 1 1 15 15 LEU H H 15 7.785 7.785 8.422 -0.637 19852 8188 1 9 . 1 1 16 16 VAL N N 16 121.267 121.267 118.970 2.297 19852 8189 1 9 . 1 1 16 16 VAL C C 16 178.324 178.324 174.423 3.901 19852 8190 1 9 . 1 1 16 16 VAL CA C 16 63.363 63.363 58.684 4.679 19852 8191 1 9 . 1 1 16 16 VAL CB C 16 35.839 35.839 35.303 0.536 19852 8192 1 9 . 1 1 16 16 VAL H H 16 8.935 8.935 8.715 0.220 19852 8193 1 9 . 1 1 17 17 GLY N N 17 127.908 127.908 107.117 20.791 19852 8194 1 9 . 1 1 17 17 GLY C C 17 174.514 174.514 172.639 1.875 19852 8195 1 9 . 1 1 17 17 GLY CA C 17 42.281 42.281 44.966 -2.685 19852 8196 1 9 . 1 1 17 17 GLY H H 17 9.682 9.682 7.378 2.304 19852 8197 1 9 . 1 1 18 18 ASP N N 18 119.673 119.673 120.641 -0.968 19852 8198 1 9 . 1 1 18 18 ASP C C 18 176.859 176.859 177.150 -0.291 19852 8199 1 9 . 1 1 18 18 ASP CA C 18 55.750 55.750 54.393 1.357 19852 8200 1 9 . 1 1 18 18 ASP CB C 18 39.938 39.938 42.309 -2.371 19852 8201 1 9 . 1 1 18 18 ASP H H 18 7.879 7.879 8.438 -0.559 19852 8202 1 9 . 1 1 19 19 GLY N N 19 120.670 120.670 107.767 12.903 19852 8203 1 9 . 1 1 19 19 GLY C C 19 178.324 178.324 175.036 3.288 19852 8204 1 9 . 1 1 19 19 GLY CA C 19 42.281 42.281 45.457 -3.176 19852 8205 1 9 . 1 1 19 19 GLY H H 19 8.825 8.825 8.679 0.146 19852 8206 1 9 . 1 1 20 20 GLY N N 20 129.369 129.369 112.747 16.622 19852 8207 1 9 . 1 1 20 20 GLY C C 20 174.221 174.221 175.779 -1.558 19852 8208 1 9 . 1 1 20 20 GLY CA C 20 41.695 41.695 45.541 -3.845 19852 8209 1 9 . 1 1 20 20 GLY H H 20 8.477 8.477 8.680 -0.203 19852 8210 1 9 . 1 1 21 21 THR N N 21 114.560 114.560 117.964 -3.404 19852 8211 1 9 . 1 1 21 21 THR C C 21 178.617 178.617 174.905 3.712 19852 8212 1 9 . 1 1 21 21 THR CA C 21 62.192 62.192 66.450 -4.258 19852 8213 1 9 . 1 1 21 21 THR CB C 21 70.390 70.390 69.251 1.139 19852 8214 1 9 . 1 1 21 21 THR H H 21 8.196 8.196 7.789 0.407 19852 8215 1 9 . 1 1 22 22 GLY N N 22 112.369 112.369 106.246 6.123 19852 8216 1 9 . 1 1 22 22 GLY C C 22 184.807 184.807 175.191 9.616 19852 8217 1 9 . 1 1 22 22 GLY CA C 22 45.209 45.209 45.138 0.071 19852 8218 1 9 . 1 1 22 22 GLY H H 22 6.772 6.772 8.385 -1.613 19852 8219 1 9 . 1 1 23 23 LYS N N 23 124.056 124.056 120.362 3.694 19852 8220 1 9 . 1 1 23 23 LYS C C 23 176.566 176.566 177.790 -1.224 19852 8221 1 9 . 1 1 23 23 LYS CA C 23 56.921 56.921 59.694 -2.773 19852 8222 1 9 . 1 1 23 23 LYS CB C 23 35.839 35.839 32.338 3.501 19852 8223 1 9 . 1 1 23 23 LYS H H 23 8.180 8.180 8.457 -0.277 19852 8224 1 9 . 1 1 24 24 THR N N 24 114.627 114.627 113.305 1.322 19852 8225 1 9 . 1 1 24 24 THR C C 24 178.324 178.324 176.602 1.722 19852 8226 1 9 . 1 1 24 24 THR CA C 24 62.192 62.192 67.786 -5.594 19852 8227 1 9 . 1 1 24 24 THR CB C 24 71.562 71.562 67.998 3.564 19852 8228 1 9 . 1 1 24 24 THR H H 24 8.469 8.469 8.517 -0.048 19852 8229 1 9 . 1 1 25 25 THR N N 25 110.377 110.377 118.239 -7.862 19852 8230 1 9 . 1 1 25 25 THR C C 25 178.324 178.324 175.841 2.483 19852 8231 1 9 . 1 1 25 25 THR CA C 25 64.534 64.534 67.242 -2.708 19852 8232 1 9 . 1 1 25 25 THR CB C 25 71.562 71.562 68.418 3.143 19852 8233 1 9 . 1 1 25 25 THR H H 25 8.415 8.415 8.123 0.292 19852 8234 1 9 . 1 1 26 26 PHE N N 26 114.295 114.295 121.690 -7.395 19852 8235 1 9 . 1 1 26 26 PHE C C 26 174.514 174.514 177.749 -3.235 19852 8236 1 9 . 1 1 26 26 PHE CA C 26 53.407 53.407 61.605 -8.198 19852 8237 1 9 . 1 1 26 26 PHE CB C 26 40.524 40.524 39.245 1.279 19852 8238 1 9 . 1 1 26 26 PHE H H 26 7.707 7.707 8.205 -0.498 19852 8239 1 9 . 1 1 27 27 VAL N N 27 123.525 123.525 120.391 3.134 19852 8240 1 9 . 1 1 27 27 VAL C C 27 178.031 178.031 177.677 0.354 19852 8241 1 9 . 1 1 27 27 VAL CA C 27 67.462 67.462 66.730 0.732 19852 8242 1 9 . 1 1 27 27 VAL CB C 27 29.397 29.397 31.530 -2.133 19852 8243 1 9 . 1 1 27 27 VAL H H 27 6.987 6.987 8.249 -1.262 19852 8244 1 9 . 1 1 28 28 LYS N N 28 114.228 114.228 116.876 -2.648 19852 8245 1 9 . 1 1 28 28 LYS C C 28 176.566 176.566 177.476 -0.910 19852 8246 1 9 . 1 1 28 28 LYS CA C 28 58.092 58.092 57.874 0.218 19852 8247 1 9 . 1 1 28 28 LYS CB C 28 34.082 34.082 31.786 2.296 19852 8248 1 9 . 1 1 28 28 LYS H H 28 7.429 7.429 7.946 -0.517 19852 8249 1 9 . 1 1 29 29 ARG N N 29 112.037 112.037 116.716 -4.679 19852 8250 1 9 . 1 1 29 29 ARG C C 29 174.221 174.221 176.402 -2.181 19852 8251 1 9 . 1 1 29 29 ARG CA C 29 72.147 72.147 58.264 13.883 19852 8252 1 9 . 1 1 29 29 ARG CB C 29 37.596 37.596 30.188 7.408 19852 8253 1 9 . 1 1 29 29 ARG H H 29 6.803 6.803 7.169 -0.366 19852 8254 1 9 . 1 1 30 30 HIS N N 30 122.396 122.396 119.378 3.018 19852 8255 1 9 . 1 1 30 30 HIS C C 30 172.170 172.170 176.155 -3.985 19852 8256 1 9 . 1 1 30 30 HIS CA C 30 51.651 51.651 55.712 -4.061 19852 8257 1 9 . 1 1 30 30 HIS CB C 30 30.568 30.568 30.049 0.519 19852 8258 1 9 . 1 1 30 30 HIS H H 30 7.644 7.644 7.215 0.429 19852 8259 1 9 . 1 1 31 31 LEU N N 31 110.377 110.377 127.838 -17.461 19852 8260 1 9 . 1 1 31 31 LEU C C 31 178.031 178.031 178.431 -0.400 19852 8261 1 9 . 1 1 31 31 LEU CA C 31 55.164 55.164 57.712 -2.548 19852 8262 1 9 . 1 1 31 31 LEU CB C 31 42.281 42.281 41.703 0.578 19852 8263 1 9 . 1 1 31 31 LEU H H 31 7.894 7.894 7.835 0.059 19852 8264 1 9 . 1 1 32 32 THR N N 32 118.213 118.213 114.169 4.044 19852 8265 1 9 . 1 1 32 32 THR C C 32 178.910 178.910 176.407 2.503 19852 8266 1 9 . 1 1 32 32 THR CA C 32 63.949 63.949 67.245 -3.296 19852 8267 1 9 . 1 1 32 32 THR CB C 32 72.733 72.733 67.988 4.745 19852 8268 1 9 . 1 1 32 32 THR H H 32 7.570 7.570 8.157 -0.587 19852 8269 1 9 . 1 1 33 33 GLY N N 33 127.841 127.841 109.661 18.180 19852 8270 1 9 . 1 1 33 33 GLY C C 33 161.914 161.914 175.789 -13.875 19852 8271 1 9 . 1 1 33 33 GLY CA C 33 42.866 42.866 46.797 -3.931 19852 8272 1 9 . 1 1 33 33 GLY H H 33 9.662 9.662 8.085 1.577 19852 8273 1 9 . 1 1 34 34 GLU N N 34 122.263 122.263 122.556 -0.293 19852 8274 1 9 . 1 1 34 34 GLU C C 34 176.859 176.859 179.910 -3.051 19852 8275 1 9 . 1 1 34 34 GLU CA C 34 51.651 51.651 58.763 -7.112 19852 8276 1 9 . 1 1 34 34 GLU CB C 34 29.397 29.397 29.599 -0.202 19852 8277 1 9 . 1 1 34 34 GLU H H 34 7.140 7.140 7.837 -0.697 19852 8278 1 9 . 1 1 35 35 PHE N N 35 111.838 111.838 118.162 -6.324 19852 8279 1 9 . 1 1 35 35 PHE C C 35 174.221 174.221 177.530 -3.309 19852 8280 1 9 . 1 1 35 35 PHE CA C 35 49.308 49.308 58.998 -9.690 19852 8281 1 9 . 1 1 35 35 PHE CB C 35 41.695 41.695 38.687 3.009 19852 8282 1 9 . 1 1 35 35 PHE H H 35 6.772 6.772 7.938 -1.166 19852 8283 1 9 . 1 1 36 36 GLU N N 36 124.388 124.388 115.780 8.608 19852 8284 1 9 . 1 1 36 36 GLU C C 36 176.859 176.859 175.590 1.269 19852 8285 1 9 . 1 1 36 36 GLU CA C 36 58.092 58.092 56.210 1.882 19852 8286 1 9 . 1 1 36 36 GLU CB C 36 30.568 30.568 29.915 0.653 19852 8287 1 9 . 1 1 36 36 GLU H H 36 7.734 7.734 8.178 -0.444 19852 8288 1 9 . 1 1 37 37 LYS N N 37 118.810 118.810 119.863 -1.053 19852 8289 1 9 . 1 1 37 37 LYS C C 37 172.756 172.756 176.716 -3.960 19852 8290 1 9 . 1 1 37 37 LYS CA C 37 48.137 48.137 56.537 -8.400 19852 8291 1 9 . 1 1 37 37 LYS CB C 37 37.010 37.010 32.484 4.526 19852 8292 1 9 . 1 1 37 37 LYS H H 37 8.509 8.509 7.196 1.313 19852 8293 1 9 . 1 1 38 38 LYS N N 38 108.052 108.052 124.376 -16.324 19852 8294 1 9 . 1 1 38 38 LYS C C 38 176.273 176.273 174.642 1.631 19852 8295 1 9 . 1 1 38 38 LYS CA C 38 59.849 59.849 55.084 4.765 19852 8296 1 9 . 1 1 38 38 LYS CB C 38 34.668 34.668 35.759 -1.091 19852 8297 1 9 . 1 1 38 38 LYS H H 38 7.715 7.715 8.518 -0.803 19852 8298 1 9 . 1 1 39 39 TYR N N 39 108.650 108.650 125.609 -16.959 19852 8299 1 9 . 1 1 39 39 TYR C C 39 175.686 175.686 175.347 0.339 19852 8300 1 9 . 1 1 39 39 TYR CA C 39 61.020 61.020 56.808 4.212 19852 8301 1 9 . 1 1 39 39 TYR CB C 39 36.424 36.424 39.840 -3.416 19852 8302 1 9 . 1 1 39 39 TYR H H 39 7.362 7.362 8.670 -1.308 19852 8303 1 9 . 1 1 40 40 VAL N N 40 117.947 117.947 128.800 -10.853 19852 8304 1 9 . 1 1 40 40 VAL C C 40 175.393 175.393 174.999 0.394 19852 8305 1 9 . 1 1 40 40 VAL CA C 40 61.020 61.020 60.932 0.088 19852 8306 1 9 . 1 1 40 40 VAL CB C 40 31.154 31.154 31.834 -0.680 19852 8307 1 9 . 1 1 40 40 VAL H H 40 8.442 8.442 8.566 -0.124 19852 8308 1 9 . 1 1 42 42 THR N N 42 117.150 117.150 114.325 2.825 19852 8309 1 9 . 1 1 42 42 THR C C 42 178.910 178.910 176.475 2.435 19852 8310 1 9 . 1 1 42 42 THR CA C 42 60.435 60.435 64.823 -4.388 19852 8311 1 9 . 1 1 42 42 THR CB C 42 70.390 70.390 68.448 1.942 19852 8312 1 9 . 1 1 42 42 THR H H 42 8.192 8.192 8.049 0.143 19852 8313 1 9 . 1 1 43 43 LEU N N 43 119.209 119.209 120.066 -0.857 19852 8314 1 9 . 1 1 43 43 LEU C C 43 174.807 174.807 177.719 -2.912 19852 8315 1 9 . 1 1 43 43 LEU CA C 43 57.507 57.507 55.561 1.946 19852 8316 1 9 . 1 1 43 43 LEU CB C 43 42.866 42.866 42.121 0.745 19852 8317 1 9 . 1 1 43 43 LEU H H 43 9.260 9.260 7.915 1.345 19852 8318 1 9 . 1 1 44 44 GLY N N 44 114.361 114.361 107.365 6.996 19852 8319 1 9 . 1 1 44 44 GLY C C 44 178.910 178.910 173.328 5.582 19852 8320 1 9 . 1 1 44 44 GLY CA C 44 54.579 54.579 45.511 9.068 19852 8321 1 9 . 1 1 44 44 GLY H H 44 6.979 6.979 8.055 -1.076 19852 8322 1 9 . 1 1 45 45 VAL N N 45 110.244 110.244 118.253 -8.009 19852 8323 1 9 . 1 1 45 45 VAL C C 45 174.807 174.807 174.295 0.512 19852 8324 1 9 . 1 1 45 45 VAL CA C 45 63.363 63.363 60.876 2.487 19852 8325 1 9 . 1 1 45 45 VAL CB C 45 17.099 17.099 35.353 -18.254 19852 8326 1 9 . 1 1 45 45 VAL H H 45 8.309 8.309 7.238 1.071 19852 8327 1 9 . 1 1 46 46 GLU N N 46 130.365 130.365 126.026 4.339 19852 8328 1 9 . 1 1 46 46 GLU C C 46 176.859 176.859 175.452 1.407 19852 8329 1 9 . 1 1 46 46 GLU CA C 46 55.164 55.164 55.446 -0.282 19852 8330 1 9 . 1 1 46 46 GLU CB C 46 32.325 32.325 31.640 0.685 19852 8331 1 9 . 1 1 46 46 GLU H H 46 9.741 9.741 9.206 0.535 19852 8332 1 9 . 1 1 47 47 VAL N N 47 115.623 115.623 125.821 -10.198 19852 8333 1 9 . 1 1 47 47 VAL C C 47 178.324 178.324 175.006 3.318 19852 8334 1 9 . 1 1 47 47 VAL CA C 47 63.363 63.363 61.273 2.090 19852 8335 1 9 . 1 1 47 47 VAL CB C 47 32.911 32.911 32.343 0.568 19852 8336 1 9 . 1 1 47 47 VAL H H 47 7.339 7.339 8.987 -1.648 19852 8337 1 9 . 1 1 48 48 HIS N N 48 129.236 129.236 127.420 1.816 19852 8338 1 9 . 1 1 48 48 HIS C C 48 169.240 169.240 172.980 -3.740 19852 8339 1 9 . 1 1 48 48 HIS CA C 48 49.894 49.894 53.341 -3.447 19852 8340 1 9 . 1 1 48 48 HIS CB C 48 27.640 27.640 31.622 -3.982 19852 8341 1 9 . 1 1 48 48 HIS H H 48 10.390 10.390 9.423 0.967 19852 8342 1 9 . 1 1 49 49 PRO C C 49 176.273 176.273 175.572 0.701 19852 8343 1 9 . 1 1 49 49 PRO CA C 49 62.500 62.500 62.878 -0.378 19852 8344 1 9 . 1 1 49 49 PRO CB C 49 29.974 29.974 31.526 -1.552 19852 8345 1 9 . 1 1 50 50 LEU N N 50 119.408 119.408 129.072 -9.664 19852 8346 1 9 . 1 1 50 50 LEU C C 50 177.445 177.445 175.238 2.207 19852 8347 1 9 . 1 1 50 50 LEU CA C 50 59.264 59.264 54.025 5.239 19852 8348 1 9 . 1 1 50 50 LEU CB C 50 42.281 42.281 42.883 -0.602 19852 8349 1 9 . 1 1 50 50 LEU H H 50 7.492 7.492 8.971 -1.479 19852 8350 1 9 . 1 1 51 51 VAL N N 51 117.947 117.947 124.511 -6.564 19852 8351 1 9 . 1 1 51 51 VAL C C 51 174.514 174.514 175.055 -0.541 19852 8352 1 9 . 1 1 51 51 VAL CA C 51 64.534 64.534 62.121 2.413 19852 8353 1 9 . 1 1 51 51 VAL CB C 51 37.010 37.010 32.476 4.534 19852 8354 1 9 . 1 1 51 51 VAL H H 51 7.715 7.715 7.965 -0.250 19852 8355 1 9 . 1 1 52 52 PHE N N 52 124.853 124.853 126.639 -1.786 19852 8356 1 9 . 1 1 52 52 PHE C C 52 175.100 175.100 174.108 0.992 19852 8357 1 9 . 1 1 52 52 PHE CA C 52 56.336 56.336 56.418 -0.082 19852 8358 1 9 . 1 1 52 52 PHE CB C 52 39.938 39.938 42.373 -2.435 19852 8359 1 9 . 1 1 52 52 PHE H H 52 8.935 8.935 9.159 -0.224 19852 8360 1 9 . 1 1 53 53 HIS N N 53 120.603 120.603 124.173 -3.570 19852 8361 1 9 . 1 1 53 53 HIS C C 53 170.119 170.119 174.313 -4.194 19852 8362 1 9 . 1 1 53 53 HIS CA C 53 55.164 55.164 54.985 0.179 19852 8363 1 9 . 1 1 53 53 HIS CB C 53 30.568 30.568 31.533 -0.965 19852 8364 1 9 . 1 1 53 53 HIS H H 53 8.356 8.356 9.061 -0.705 19852 8365 1 9 . 1 1 54 54 THR N N 54 112.634 112.634 117.941 -5.307 19852 8366 1 9 . 1 1 54 54 THR C C 54 178.910 178.910 175.129 3.781 19852 8367 1 9 . 1 1 54 54 THR CA C 54 63.363 63.363 59.051 4.312 19852 8368 1 9 . 1 1 54 54 THR CB C 54 72.733 72.733 72.085 0.648 19852 8369 1 9 . 1 1 54 54 THR H H 54 7.574 7.574 8.049 -0.475 19852 8370 1 9 . 1 1 55 55 ASN N N 55 131.095 131.095 118.416 12.679 19852 8371 1 9 . 1 1 55 55 ASN C C 55 176.273 176.273 177.113 -0.840 19852 8372 1 9 . 1 1 55 55 ASN CA C 55 51.065 51.065 55.374 -4.309 19852 8373 1 9 . 1 1 55 55 ASN CB C 55 37.010 37.010 38.264 -1.254 19852 8374 1 9 . 1 1 55 55 ASN H H 55 10.187 10.187 8.439 1.748 19852 8375 1 9 . 1 1 56 56 ARG N N 56 122.064 122.064 118.645 3.419 19852 8376 1 9 . 1 1 56 56 ARG C C 56 175.100 175.100 176.291 -1.191 19852 8377 1 9 . 1 1 56 56 ARG CA C 56 61.606 61.606 57.396 4.210 19852 8378 1 9 . 1 1 56 56 ARG CB C 56 32.911 32.911 31.159 1.752 19852 8379 1 9 . 1 1 56 56 ARG H H 56 7.433 7.433 7.702 -0.269 19852 8380 1 9 . 1 1 57 57 GLY N N 57 127.709 127.709 104.142 23.567 19852 8381 1 9 . 1 1 57 57 GLY C C 57 175.979 175.979 171.563 4.416 19852 8382 1 9 . 1 1 57 57 GLY CA C 57 42.281 42.281 44.401 -2.120 19852 8383 1 9 . 1 1 57 57 GLY H H 57 9.373 9.373 7.401 1.972 19852 8384 1 9 . 1 1 58 58 PRO C C 58 177.152 177.152 175.765 1.387 19852 8385 1 9 . 1 1 58 58 PRO CA C 58 65.137 65.137 63.430 1.707 19852 8386 1 9 . 1 1 58 58 PRO CB C 58 29.095 29.095 32.159 -3.064 19852 8387 1 9 . 1 1 59 59 ILE N N 59 128.638 128.638 123.432 5.206 19852 8388 1 9 . 1 1 59 59 ILE C C 59 175.979 175.979 174.788 1.191 19852 8389 1 9 . 1 1 59 59 ILE CA C 59 65.120 65.120 60.163 4.957 19852 8390 1 9 . 1 1 59 59 ILE CB C 59 40.524 40.524 41.730 -1.206 19852 8391 1 9 . 1 1 59 59 ILE H H 59 8.794 8.794 9.090 -0.296 19852 8392 1 9 . 1 1 60 60 LYS N N 60 115.756 115.756 125.459 -9.703 19852 8393 1 9 . 1 1 60 60 LYS C C 60 175.979 175.979 175.546 0.433 19852 8394 1 9 . 1 1 60 60 LYS CA C 60 56.921 56.921 54.644 2.277 19852 8395 1 9 . 1 1 60 60 LYS CB C 60 32.325 32.325 34.875 -2.550 19852 8396 1 9 . 1 1 60 60 LYS H H 60 7.253 7.253 8.797 -1.544 19852 8397 1 9 . 1 1 61 61 PHE N N 61 120.670 120.670 123.563 -2.893 19852 8398 1 9 . 1 1 61 61 PHE C C 61 175.393 175.393 175.302 0.091 19852 8399 1 9 . 1 1 61 61 PHE CA C 61 57.507 57.507 56.825 0.682 19852 8400 1 9 . 1 1 61 61 PHE CB C 61 41.109 41.109 41.125 -0.016 19852 8401 1 9 . 1 1 61 61 PHE H H 61 7.515 7.515 9.513 -1.998 19852 8402 1 9 . 1 1 62 62 ASN N N 62 119.076 119.076 124.625 -5.549 19852 8403 1 9 . 1 1 62 62 ASN C C 62 175.100 175.100 174.681 0.419 19852 8404 1 9 . 1 1 62 62 ASN CA C 62 53.407 53.407 53.780 -0.373 19852 8405 1 9 . 1 1 62 62 ASN CB C 62 38.767 38.767 39.179 -0.412 19852 8406 1 9 . 1 1 62 62 ASN H H 62 7.558 7.558 9.470 -1.912 19852 8407 1 9 . 1 1 63 63 VAL N N 63 106.127 106.127 124.543 -18.416 19852 8408 1 9 . 1 1 63 63 VAL C C 63 175.100 175.100 175.687 -0.587 19852 8409 1 9 . 1 1 63 63 VAL CA C 63 61.020 61.020 62.742 -1.722 19852 8410 1 9 . 1 1 63 63 VAL CB C 63 31.154 31.154 32.502 -1.348 19852 8411 1 9 . 1 1 63 63 VAL H H 63 8.113 8.113 8.986 -0.873 19852 8412 1 9 . 1 1 64 64 TRP N N 64 129.302 129.302 130.469 -1.167 19852 8413 1 9 . 1 1 64 64 TRP C C 64 177.152 177.152 175.702 1.450 19852 8414 1 9 . 1 1 64 64 TRP CA C 64 59.264 59.264 57.005 2.259 19852 8415 1 9 . 1 1 64 64 TRP CB C 64 29.397 29.397 29.724 -0.327 19852 8416 1 9 . 1 1 64 64 TRP H H 64 8.970 8.970 9.684 -0.714 19852 8417 1 9 . 1 1 65 65 ASP N N 65 119.607 119.607 124.066 -4.459 19852 8418 1 9 . 1 1 65 65 ASP C C 65 174.514 174.514 175.958 -1.444 19852 8419 1 9 . 1 1 65 65 ASP CA C 65 55.164 55.164 52.743 2.421 19852 8420 1 9 . 1 1 65 65 ASP CB C 65 41.109 41.109 45.174 -4.065 19852 8421 1 9 . 1 1 65 65 ASP H H 65 8.638 8.638 9.265 -0.627 19852 8422 1 9 . 1 1 66 66 THR N N 66 122.463 122.463 115.400 7.063 19852 8423 1 9 . 1 1 66 66 THR C C 66 178.617 178.617 174.654 3.963 19852 8424 1 9 . 1 1 66 66 THR CA C 66 68.048 68.048 61.685 6.363 19852 8425 1 9 . 1 1 66 66 THR CB C 66 71.562 71.562 70.061 1.501 19852 8426 1 9 . 1 1 66 66 THR H H 66 8.293 8.293 8.487 -0.194 19852 8427 1 9 . 1 1 67 67 ALA N N 67 104.865 104.865 123.747 -18.882 19852 8428 1 9 . 1 1 67 67 ALA C C 67 177.738 177.738 177.950 -0.212 19852 8429 1 9 . 1 1 67 67 ALA CA C 67 48.722 48.722 51.682 -2.960 19852 8430 1 9 . 1 1 67 67 ALA CB C 67 14.171 14.171 18.796 -4.625 19852 8431 1 9 . 1 1 67 67 ALA H H 67 8.657 8.657 8.134 0.523 19852 8432 1 9 . 1 1 68 68 GLY N N 68 115.357 115.357 107.268 8.089 19852 8433 1 9 . 1 1 68 68 GLY C C 68 189.533 189.533 176.276 13.257 19852 8434 1 9 . 1 1 68 68 GLY CA C 68 45.209 45.209 45.390 -0.181 19852 8435 1 9 . 1 1 68 68 GLY H H 68 10.969 10.969 7.785 3.184 19852 8436 1 9 . 1 1 69 69 GLN N N 69 110.111 110.111 119.862 -9.751 19852 8437 1 9 . 1 1 69 69 GLN C C 69 176.859 176.859 177.542 -0.683 19852 8438 1 9 . 1 1 69 69 GLN CA C 69 55.750 55.750 59.305 -3.555 19852 8439 1 9 . 1 1 69 69 GLN CB C 69 27.640 27.640 28.330 -0.690 19852 8440 1 9 . 1 1 69 69 GLN H H 69 8.344 8.344 8.747 -0.403 19852 8441 1 9 . 1 1 70 70 GLU N N 70 114.826 114.826 117.529 -2.703 19852 8442 1 9 . 1 1 70 70 GLU C C 70 176.273 176.273 177.766 -1.493 19852 8443 1 9 . 1 1 70 70 GLU CA C 70 57.507 57.507 58.738 -1.231 19852 8444 1 9 . 1 1 70 70 GLU CB C 70 28.811 28.811 29.398 -0.586 19852 8445 1 9 . 1 1 70 70 GLU H H 70 9.651 9.651 8.706 0.945 19852 8446 1 9 . 1 1 71 71 LYS N N 71 116.685 116.685 117.192 -0.507 19852 8447 1 9 . 1 1 71 71 LYS C C 71 175.979 175.979 178.689 -2.710 19852 8448 1 9 . 1 1 71 71 LYS CA C 71 48.722 48.722 58.232 -9.510 19852 8449 1 9 . 1 1 71 71 LYS CB C 71 37.010 37.010 32.300 4.710 19852 8450 1 9 . 1 1 71 71 LYS H H 71 8.712 8.712 7.678 1.034 19852 8451 1 9 . 1 1 72 72 PHE N N 72 114.959 114.959 117.653 -2.694 19852 8452 1 9 . 1 1 72 72 PHE C C 72 175.686 175.686 176.744 -1.058 19852 8453 1 9 . 1 1 72 72 PHE CA C 72 56.336 56.336 59.520 -3.184 19852 8454 1 9 . 1 1 72 72 PHE CB C 72 36.424 36.424 39.772 -3.348 19852 8455 1 9 . 1 1 72 72 PHE H H 72 7.965 7.965 7.624 0.341 19852 8456 1 9 . 1 1 73 73 GLY N N 73 117.084 117.084 104.245 12.839 19852 8457 1 9 . 1 1 73 73 GLY C C 73 168.068 168.068 172.526 -4.458 19852 8458 1 9 . 1 1 73 73 GLY CA C 73 42.281 42.281 44.974 -2.693 19852 8459 1 9 . 1 1 73 73 GLY H H 73 7.609 7.609 8.144 -0.535 19852 8460 1 9 . 1 1 74 74 GLY N N 74 120.537 120.537 106.158 14.379 19852 8461 1 9 . 1 1 74 74 GLY C C 74 174.514 174.514 174.362 0.152 19852 8462 1 9 . 1 1 74 74 GLY CA C 74 44.037 44.037 44.393 -0.356 19852 8463 1 9 . 1 1 74 74 GLY H H 74 9.326 9.326 8.327 0.999 19852 8464 1 9 . 1 1 75 75 LEU N N 75 127.177 127.177 120.667 6.510 19852 8465 1 9 . 1 1 75 75 LEU C C 75 178.617 178.617 177.545 1.072 19852 8466 1 9 . 1 1 75 75 LEU CA C 75 53.407 53.407 54.079 -0.672 19852 8467 1 9 . 1 1 75 75 LEU CB C 75 42.281 42.281 43.268 -0.987 19852 8468 1 9 . 1 1 75 75 LEU H H 75 7.628 7.628 8.696 -1.068 19852 8469 1 9 . 1 1 76 76 ARG N N 76 116.486 116.486 122.683 -6.197 19852 8470 1 9 . 1 1 76 76 ARG C C 76 176.859 176.859 176.896 -0.037 19852 8471 1 9 . 1 1 76 76 ARG CA C 76 59.264 59.264 56.368 2.896 19852 8472 1 9 . 1 1 76 76 ARG CB C 76 31.154 31.154 31.015 0.140 19852 8473 1 9 . 1 1 76 76 ARG H H 76 7.143 7.143 8.567 -1.424 19852 8474 1 9 . 1 1 77 77 ASP N N 77 129.236 129.236 122.944 6.292 19852 8475 1 9 . 1 1 77 77 ASP C C 77 177.152 177.152 178.494 -1.342 19852 8476 1 9 . 1 1 77 77 ASP CA C 77 52.822 52.822 57.938 -5.116 19852 8477 1 9 . 1 1 77 77 ASP CB C 77 41.695 41.695 40.582 1.113 19852 8478 1 9 . 1 1 77 77 ASP H H 77 8.947 8.947 8.916 0.031 19852 8479 1 9 . 1 1 78 78 GLY N N 78 127.244 127.244 107.534 19.710 19852 8480 1 9 . 1 1 78 78 GLY C C 78 173.928 173.928 175.076 -1.148 19852 8481 1 9 . 1 1 78 78 GLY CA C 78 44.623 44.623 46.976 -2.353 19852 8482 1 9 . 1 1 78 78 GLY H H 78 8.219 8.219 8.528 -0.309 19852 8483 1 9 . 1 1 79 79 TYR N N 79 120.537 120.537 120.921 -0.384 19852 8484 1 9 . 1 1 79 79 TYR C C 79 176.273 176.273 176.470 -0.197 19852 8485 1 9 . 1 1 79 79 TYR CA C 79 58.678 58.678 60.692 -2.014 19852 8486 1 9 . 1 1 79 79 TYR CB C 79 40.524 40.524 38.507 2.017 19852 8487 1 9 . 1 1 79 79 TYR H H 79 8.563 8.563 7.390 1.173 19852 8488 1 9 . 1 1 80 80 TYR N N 80 115.822 115.822 115.701 0.121 19852 8489 1 9 . 1 1 80 80 TYR C C 80 175.979 175.979 176.411 -0.432 19852 8490 1 9 . 1 1 80 80 TYR CA C 80 58.092 58.092 60.882 -2.790 19852 8491 1 9 . 1 1 80 80 TYR CB C 80 38.181 38.181 38.463 -0.282 19852 8492 1 9 . 1 1 80 80 TYR H H 80 7.194 7.194 7.360 -0.166 19852 8493 1 9 . 1 1 81 81 ILE N N 81 120.072 120.072 118.035 2.037 19852 8494 1 9 . 1 1 81 81 ILE C C 81 177.445 177.445 175.961 1.484 19852 8495 1 9 . 1 1 81 81 ILE CA C 81 67.462 67.462 63.642 3.820 19852 8496 1 9 . 1 1 81 81 ILE CB C 81 41.109 41.109 37.905 3.204 19852 8497 1 9 . 1 1 81 81 ILE H H 81 8.837 8.837 7.909 0.928 19852 8498 1 9 . 1 1 82 82 GLN N N 82 109.580 109.580 118.581 -9.001 19852 8499 1 9 . 1 1 82 82 GLN C C 82 177.152 177.152 174.548 2.604 19852 8500 1 9 . 1 1 82 82 GLN CA C 82 56.336 56.336 56.448 -0.112 19852 8501 1 9 . 1 1 82 82 GLN CB C 82 24.126 24.126 26.511 -2.385 19852 8502 1 9 . 1 1 82 82 GLN H H 82 8.493 8.493 8.715 -0.222 19852 8503 1 9 . 1 1 83 83 ALA N N 83 109.713 109.713 120.926 -11.213 19852 8504 1 9 . 1 1 83 83 ALA C C 83 175.979 175.979 177.081 -1.102 19852 8505 1 9 . 1 1 83 83 ALA CA C 83 54.579 54.579 52.840 1.739 19852 8506 1 9 . 1 1 83 83 ALA CB C 83 16.513 16.513 19.257 -2.744 19852 8507 1 9 . 1 1 83 83 ALA H H 83 6.306 6.306 7.380 -1.074 19852 8508 1 9 . 1 1 84 84 GLN N N 84 131.380 131.380 123.407 7.973 19852 8509 1 9 . 1 1 84 84 GLN C C 84 175.686 175.686 176.171 -0.485 19852 8510 1 9 . 1 1 84 84 GLN CA C 84 51.065 51.065 57.088 -6.023 19852 8511 1 9 . 1 1 84 84 GLN CB C 84 32.325 32.325 31.191 1.134 19852 8512 1 9 . 1 1 84 84 GLN H H 84 11.169 11.169 8.588 2.581 19852 8513 1 9 . 1 1 85 85 CYS N N 85 124.322 124.322 112.355 11.967 19852 8514 1 9 . 1 1 85 85 CYS C C 85 173.049 173.049 172.761 0.288 19852 8515 1 9 . 1 1 85 85 CYS CA C 85 57.507 57.507 55.927 1.580 19852 8516 1 9 . 1 1 85 85 CYS CB C 85 35.253 35.253 31.912 3.341 19852 8517 1 9 . 1 1 85 85 CYS H H 85 8.602 8.602 8.153 0.449 19852 8518 1 9 . 1 1 86 86 ALA N N 86 114.295 114.295 121.960 -7.665 19852 8519 1 9 . 1 1 86 86 ALA CA C 86 57.507 57.507 50.732 6.775 19852 8520 1 9 . 1 1 86 86 ALA CB C 86 21.784 21.784 22.723 -0.939 19852 8521 1 9 . 1 1 86 86 ALA H H 86 6.897 6.897 8.960 -2.063 19852 8522 1 9 . 1 1 87 87 ILE N N 87 120.670 120.670 121.104 -0.434 19852 8523 1 9 . 1 1 87 87 ILE C C 87 173.928 173.928 174.678 -0.750 19852 8524 1 9 . 1 1 87 87 ILE CA C 87 61.020 61.020 59.905 1.115 19852 8525 1 9 . 1 1 87 87 ILE CB C 87 39.938 39.938 41.211 -1.273 19852 8526 1 9 . 1 1 87 87 ILE H H 87 8.282 8.282 8.681 -0.399 19852 8527 1 9 . 1 1 88 88 ILE N N 88 120.205 120.205 127.234 -7.029 19852 8528 1 9 . 1 1 88 88 ILE C C 88 173.635 173.635 175.130 -1.495 19852 8529 1 9 . 1 1 88 88 ILE CA C 88 64.534 64.534 60.036 4.498 19852 8530 1 9 . 1 1 88 88 ILE CB C 88 37.596 37.596 40.088 -2.492 19852 8531 1 9 . 1 1 88 88 ILE H H 88 5.528 5.528 8.942 -3.414 19852 8532 1 9 . 1 1 89 89 MET N N 89 119.209 119.209 126.090 -6.881 19852 8533 1 9 . 1 1 89 89 MET C C 89 176.566 176.566 175.527 1.039 19852 8534 1 9 . 1 1 89 89 MET CA C 89 56.921 56.921 54.163 2.757 19852 8535 1 9 . 1 1 89 89 MET CB C 89 34.668 34.668 34.934 -0.265 19852 8536 1 9 . 1 1 89 89 MET H H 89 8.164 8.164 8.889 -0.725 19852 8537 1 9 . 1 1 90 90 PHE N N 90 121.134 121.134 118.157 2.977 19852 8538 1 9 . 1 1 90 90 PHE C C 90 175.393 175.393 173.281 2.112 19852 8539 1 9 . 1 1 90 90 PHE CA C 90 60.435 60.435 55.398 5.037 19852 8540 1 9 . 1 1 90 90 PHE CB C 90 38.767 38.767 42.264 -3.497 19852 8541 1 9 . 1 1 90 90 PHE H H 90 9.334 9.334 8.786 0.548 19852 8542 1 9 . 1 1 91 91 ASP N N 91 125.185 125.185 120.591 4.594 19852 8543 1 9 . 1 1 91 91 ASP C C 91 176.566 176.566 178.088 -1.522 19852 8544 1 9 . 1 1 91 91 ASP CA C 91 52.822 52.822 52.360 0.462 19852 8545 1 9 . 1 1 91 91 ASP CB C 91 39.938 39.938 42.919 -2.981 19852 8546 1 9 . 1 1 91 91 ASP H H 91 9.056 9.056 8.902 0.154 19852 8547 1 9 . 1 1 92 92 VAL N N 92 115.158 115.158 123.355 -8.197 19852 8548 1 9 . 1 1 92 92 VAL C C 92 173.342 173.342 176.659 -3.317 19852 8549 1 9 . 1 1 92 92 VAL CA C 92 64.534 64.534 65.081 -0.547 19852 8550 1 9 . 1 1 92 92 VAL CB C 92 37.596 37.596 31.391 6.205 19852 8551 1 9 . 1 1 92 92 VAL H H 92 7.738 7.738 8.527 -0.789 19852 8552 1 9 . 1 1 93 93 THR N N 93 112.302 112.302 110.259 2.043 19852 8553 1 9 . 1 1 93 93 THR C C 93 177.152 177.152 174.210 2.942 19852 8554 1 9 . 1 1 93 93 THR CA C 93 64.534 64.534 63.335 1.199 19852 8555 1 9 . 1 1 93 93 THR CB C 93 72.147 72.147 69.091 3.056 19852 8556 1 9 . 1 1 93 93 THR H H 93 7.269 7.269 8.245 -0.976 19852 8557 1 9 . 1 1 94 94 SER N N 94 122.263 122.263 115.724 6.539 19852 8558 1 9 . 1 1 94 94 SER C C 94 163.965 163.965 175.206 -11.241 19852 8559 1 9 . 1 1 94 94 SER CA C 94 59.849 59.849 55.306 4.543 19852 8560 1 9 . 1 1 94 94 SER CB C 94 62.192 62.192 64.320 -2.128 19852 8561 1 9 . 1 1 94 94 SER H H 94 7.628 7.628 7.758 -0.130 19852 8562 1 9 . 1 1 95 95 ARG N N 95 113.099 113.099 128.500 -15.401 19852 8563 1 9 . 1 1 95 95 ARG C C 95 176.273 176.273 177.847 -1.574 19852 8564 1 9 . 1 1 95 95 ARG CA C 95 53.407 53.407 59.581 -6.174 19852 8565 1 9 . 1 1 95 95 ARG CB C 95 31.154 31.154 30.007 1.147 19852 8566 1 9 . 1 1 95 95 ARG H H 95 8.102 8.102 9.035 -0.933 19852 8567 1 9 . 1 1 96 96 VAL N N 96 124.787 124.787 119.188 5.599 19852 8568 1 9 . 1 1 96 96 VAL C C 96 178.031 178.031 177.694 0.337 19852 8569 1 9 . 1 1 96 96 VAL CA C 96 68.634 68.634 66.409 2.225 19852 8570 1 9 . 1 1 96 96 VAL CB C 96 24.126 24.126 31.345 -7.219 19852 8571 1 9 . 1 1 96 96 VAL H H 96 9.146 9.146 8.094 1.052 19852 8572 1 9 . 1 1 97 97 THR N N 97 111.970 111.970 116.124 -4.154 19852 8573 1 9 . 1 1 97 97 THR C C 97 178.031 178.031 176.049 1.982 19852 8574 1 9 . 1 1 97 97 THR CA C 97 63.949 63.949 66.442 -2.493 19852 8575 1 9 . 1 1 97 97 THR CB C 97 70.390 70.390 68.934 1.456 19852 8576 1 9 . 1 1 97 97 THR H H 97 7.984 7.984 7.613 0.371 19852 8577 1 9 . 1 1 98 98 TYR N N 98 113.232 113.232 121.215 -7.983 19852 8578 1 9 . 1 1 98 98 TYR C C 98 176.273 176.273 177.613 -1.340 19852 8579 1 9 . 1 1 98 98 TYR H H 98 7.605 7.605 7.592 0.013 19852 8580 1 9 . 1 1 99 99 LYS N N 99 121.998 121.998 118.664 3.334 19852 8581 1 9 . 1 1 99 99 LYS C C 99 174.221 174.221 178.336 -4.115 19852 8582 1 9 . 1 1 99 99 LYS CA C 99 59.264 59.264 59.303 -0.039 19852 8583 1 9 . 1 1 99 99 LYS CB C 99 34.668 34.668 32.025 2.643 19852 8584 1 9 . 1 1 99 99 LYS H H 99 8.129 8.129 7.834 0.295 19852 8585 1 9 . 1 1 100 100 ASN N N 100 111.970 111.970 115.916 -3.946 19852 8586 1 9 . 1 1 100 100 ASN C C 100 175.979 175.979 176.609 -0.630 19852 8587 1 9 . 1 1 100 100 ASN CA C 100 53.407 53.407 54.884 -1.477 19852 8588 1 9 . 1 1 100 100 ASN CB C 100 37.596 37.596 38.607 -1.011 19852 8589 1 9 . 1 1 100 100 ASN H H 100 5.778 5.778 7.814 -2.036 19852 8590 1 9 . 1 1 101 101 VAL N N 101 118.877 118.877 121.742 -2.865 19852 8591 1 9 . 1 1 101 101 VAL C C 101 173.635 173.635 175.054 -1.419 19852 8592 1 9 . 1 1 101 101 VAL CA C 101 62.777 62.777 68.424 -5.647 19852 8593 1 9 . 1 1 101 101 VAL CB C 101 27.054 27.054 29.419 -2.365 19852 8594 1 9 . 1 1 101 101 VAL H H 101 7.370 7.370 7.434 -0.064 19852 8595 1 9 . 1 1 102 102 PRO C C 102 176.566 176.566 178.416 -1.850 19852 8596 1 9 . 1 1 102 102 PRO CA C 102 62.500 62.500 66.282 -3.782 19852 8597 1 9 . 1 1 102 102 PRO CB C 102 30.853 30.853 30.850 0.003 19852 8598 1 9 . 1 1 103 103 ASN N N 103 122.728 122.728 117.068 5.660 19852 8599 1 9 . 1 1 103 103 ASN C C 103 175.100 175.100 177.479 -2.379 19852 8600 1 9 . 1 1 103 103 ASN CA C 103 54.579 54.579 55.786 -1.207 19852 8601 1 9 . 1 1 103 103 ASN CB C 103 38.767 38.767 37.476 1.291 19852 8602 1 9 . 1 1 103 103 ASN H H 103 7.879 7.879 7.536 0.343 19852 8603 1 9 . 1 1 104 104 TRP N N 104 132.158 132.158 121.010 11.148 19852 8604 1 9 . 1 1 104 104 TRP C C 104 176.273 176.273 179.152 -2.879 19852 8605 1 9 . 1 1 104 104 TRP CA C 104 60.435 60.435 60.859 -0.424 19852 8606 1 9 . 1 1 104 104 TRP CB C 104 29.983 29.983 29.364 0.619 19852 8607 1 9 . 1 1 104 104 TRP H H 104 9.541 9.541 7.808 1.733 19852 8608 1 9 . 1 1 105 105 HIS N N 105 120.869 120.869 118.717 2.152 19852 8609 1 9 . 1 1 105 105 HIS C C 105 177.738 177.738 177.685 0.053 19852 8610 1 9 . 1 1 105 105 HIS H H 105 6.971 6.971 8.689 -1.718 19852 8611 1 9 . 1 1 106 106 ARG N N 106 126.314 126.314 118.774 7.540 19852 8612 1 9 . 1 1 106 106 ARG C C 106 176.566 176.566 178.674 -2.108 19852 8613 1 9 . 1 1 106 106 ARG CA C 106 62.777 62.777 60.014 2.763 19852 8614 1 9 . 1 1 106 106 ARG CB C 106 29.397 29.397 30.046 -0.649 19852 8615 1 9 . 1 1 106 106 ARG H H 106 7.507 7.507 8.342 -0.835 19852 8616 1 9 . 1 1 107 107 ASP N N 107 119.076 119.076 120.248 -1.172 19852 8617 1 9 . 1 1 107 107 ASP C C 107 176.566 176.566 178.387 -1.821 19852 8618 1 9 . 1 1 107 107 ASP CA C 107 55.164 55.164 57.079 -1.915 19852 8619 1 9 . 1 1 107 107 ASP CB C 107 41.695 41.695 40.381 1.314 19852 8620 1 9 . 1 1 107 107 ASP H H 107 9.076 9.076 7.882 1.194 19852 8621 1 9 . 1 1 108 108 LEU N N 108 113.299 113.299 121.063 -7.764 19852 8622 1 9 . 1 1 108 108 LEU C C 108 176.273 176.273 178.290 -2.017 19852 8623 1 9 . 1 1 108 108 LEU CA C 108 59.264 59.264 57.756 1.508 19852 8624 1 9 . 1 1 108 108 LEU CB C 108 48.722 48.722 41.881 6.841 19852 8625 1 9 . 1 1 108 108 LEU H H 108 6.725 6.725 7.888 -1.163 19852 8626 1 9 . 1 1 109 109 VAL N N 109 121.267 121.267 119.217 2.050 19852 8627 1 9 . 1 1 109 109 VAL C C 109 175.393 175.393 178.251 -2.858 19852 8628 1 9 . 1 1 109 109 VAL CA C 109 63.949 63.949 66.137 -2.188 19852 8629 1 9 . 1 1 109 109 VAL CB C 109 32.911 32.911 31.302 1.609 19852 8630 1 9 . 1 1 109 109 VAL H H 109 8.763 8.763 7.999 0.764 19852 8631 1 9 . 1 1 110 110 ARG N N 110 112.900 112.900 118.214 -5.314 19852 8632 1 9 . 1 1 110 110 ARG C C 110 176.273 176.273 178.272 -1.999 19852 8633 1 9 . 1 1 110 110 ARG CA C 110 57.507 57.507 58.980 -1.473 19852 8634 1 9 . 1 1 110 110 ARG CB C 110 30.568 30.568 30.240 0.328 19852 8635 1 9 . 1 1 110 110 ARG H H 110 7.241 7.241 7.708 -0.467 19852 8636 1 9 . 1 1 111 111 VAL N N 111 115.556 115.556 117.013 -1.457 19852 8637 1 9 . 1 1 111 111 VAL C C 111 177.445 177.445 176.369 1.076 19852 8638 1 9 . 1 1 111 111 VAL CA C 111 59.849 59.849 65.436 -5.587 19852 8639 1 9 . 1 1 111 111 VAL CB C 111 32.911 32.911 32.499 0.412 19852 8640 1 9 . 1 1 111 111 VAL H H 111 7.566 7.566 7.449 0.117 19852 8641 1 9 . 1 1 112 112 CYS N N 112 114.295 114.295 119.672 -5.377 19852 8642 1 9 . 1 1 112 112 CYS C C 112 169.826 169.826 173.276 -3.450 19852 8643 1 9 . 1 1 112 112 CYS CA C 112 57.507 57.507 57.867 -0.360 19852 8644 1 9 . 1 1 112 112 CYS CB C 112 35.839 35.839 29.281 6.558 19852 8645 1 9 . 1 1 112 112 CYS H H 112 7.425 7.425 8.170 -0.745 19852 8646 1 9 . 1 1 113 113 GLU N N 113 116.486 116.486 125.783 -9.297 19852 8647 1 9 . 1 1 113 113 GLU C C 113 176.566 176.566 175.652 0.914 19852 8648 1 9 . 1 1 113 113 GLU CA C 113 69.219 69.219 56.702 12.517 19852 8649 1 9 . 1 1 113 113 GLU CB C 113 30.568 30.568 30.415 0.153 19852 8650 1 9 . 1 1 113 113 GLU H H 113 7.241 7.241 8.655 -1.414 19852 8651 1 9 . 1 1 114 114 ASN N N 114 129.302 129.302 116.339 12.963 19852 8652 1 9 . 1 1 114 114 ASN C C 114 175.100 175.100 174.723 0.377 19852 8653 1 9 . 1 1 114 114 ASN CA C 114 52.236 52.236 54.097 -1.861 19852 8654 1 9 . 1 1 114 114 ASN CB C 114 39.938 39.938 37.178 2.760 19852 8655 1 9 . 1 1 114 114 ASN H H 114 8.919 8.919 8.579 0.340 19852 8656 1 9 . 1 1 115 115 ILE N N 115 110.443 110.443 115.329 -4.886 19852 8657 1 9 . 1 1 115 115 ILE C C 115 175.100 175.100 173.790 1.310 19852 8658 1 9 . 1 1 115 115 ILE CA C 115 65.705 65.705 58.065 7.640 19852 8659 1 9 . 1 1 115 115 ILE CB C 115 39.353 39.353 38.966 0.387 19852 8660 1 9 . 1 1 115 115 ILE H H 115 9.287 9.287 7.638 1.649 19852 8661 1 9 . 1 1 116 116 PRO C C 116 175.979 175.979 175.647 0.332 19852 8662 1 9 . 1 1 116 116 PRO CA C 116 63.086 63.086 63.237 -0.152 19852 8663 1 9 . 1 1 116 116 PRO CB C 116 29.681 29.681 32.244 -2.563 19852 8664 1 9 . 1 1 117 117 ILE N N 117 123.591 123.591 124.025 -0.434 19852 8665 1 9 . 1 1 117 117 ILE C C 117 174.807 174.807 175.116 -0.309 19852 8666 1 9 . 1 1 117 117 ILE CA C 117 66.291 66.291 60.246 6.045 19852 8667 1 9 . 1 1 117 117 ILE CB C 117 38.767 38.767 42.237 -3.470 19852 8668 1 9 . 1 1 117 117 ILE H H 117 7.781 7.781 8.583 -0.802 19852 8669 1 9 . 1 1 118 118 VAL N N 118 119.009 119.009 125.617 -6.608 19852 8670 1 9 . 1 1 118 118 VAL C C 118 178.324 178.324 174.620 3.704 19852 8671 1 9 . 1 1 118 118 VAL CA C 118 62.777 62.777 60.748 2.029 19852 8672 1 9 . 1 1 118 118 VAL CB C 118 31.154 31.154 33.922 -2.768 19852 8673 1 9 . 1 1 118 118 VAL H H 118 8.767 8.767 8.679 0.088 19852 8674 1 9 . 1 1 119 119 LEU N N 119 119.408 119.408 126.528 -7.120 19852 8675 1 9 . 1 1 119 119 LEU C C 119 178.031 178.031 176.208 1.823 19852 8676 1 9 . 1 1 119 119 LEU CA C 119 42.866 42.866 53.449 -10.583 19852 8677 1 9 . 1 1 119 119 LEU CB C 119 38.767 38.767 43.826 -5.059 19852 8678 1 9 . 1 1 119 119 LEU H H 119 7.734 7.734 9.018 -1.284 19852 8679 1 9 . 1 1 120 120 CYS N N 120 113.232 113.232 121.973 -8.741 19852 8680 1 9 . 1 1 120 120 CYS C C 120 178.031 178.031 174.336 3.695 19852 8681 1 9 . 1 1 120 120 CYS H H 120 8.317 8.317 9.029 -0.712 19852 8682 1 9 . 1 1 121 121 GLY N N 121 117.349 117.349 112.466 4.883 19852 8683 1 9 . 1 1 121 121 GLY C C 121 176.851 176.851 173.051 3.800 19852 8684 1 9 . 1 1 121 121 GLY CA C 121 41.109 41.109 43.396 -2.287 19852 8685 1 9 . 1 1 121 121 GLY H H 121 7.515 7.515 8.660 -1.145 19852 8686 1 9 . 1 1 122 122 ASN N N 122 125.318 125.318 125.336 -0.018 19852 8687 1 9 . 1 1 122 122 ASN C C 122 175.686 175.686 175.528 0.158 19852 8688 1 9 . 1 1 122 122 ASN CA C 122 50.479 50.479 53.264 -2.785 19852 8689 1 9 . 1 1 122 122 ASN CB C 122 39.353 39.353 40.608 -1.255 19852 8690 1 9 . 1 1 122 122 ASN H H 122 9.162 9.162 8.534 0.628 19852 8691 1 9 . 1 1 123 123 LYS N N 123 124.920 124.920 117.599 7.321 19852 8692 1 9 . 1 1 123 123 LYS C C 123 176.566 176.566 177.348 -0.782 19852 8693 1 9 . 1 1 123 123 LYS CA C 123 70.976 70.976 57.442 13.534 19852 8694 1 9 . 1 1 123 123 LYS CB C 123 35.253 35.253 30.446 4.807 19852 8695 1 9 . 1 1 123 123 LYS H H 123 8.086 8.086 8.849 -0.763 19852 8696 1 9 . 1 1 124 124 VAL N N 124 125.517 125.517 112.609 12.908 19852 8697 1 9 . 1 1 124 124 VAL C C 124 177.738 177.738 176.518 1.220 19852 8698 1 9 . 1 1 124 124 VAL CA C 124 62.777 62.777 63.917 -1.140 19852 8699 1 9 . 1 1 124 124 VAL CB C 124 33.496 33.496 31.370 2.126 19852 8700 1 9 . 1 1 124 124 VAL H H 124 9.483 9.483 7.603 1.880 19852 8701 1 9 . 1 1 125 125 ASP N N 125 119.607 119.607 120.193 -0.586 19852 8702 1 9 . 1 1 125 125 ASP C C 125 176.566 176.566 177.067 -0.501 19852 8703 1 9 . 1 1 125 125 ASP CA C 125 55.750 55.750 56.648 -0.898 19852 8704 1 9 . 1 1 125 125 ASP CB C 125 40.524 40.524 40.642 -0.118 19852 8705 1 9 . 1 1 125 125 ASP H H 125 7.875 7.875 7.735 0.140 19852 8706 1 9 . 1 1 126 126 ILE N N 126 116.088 116.088 120.589 -4.501 19852 8707 1 9 . 1 1 126 126 ILE C C 126 177.152 177.152 177.161 -0.009 19852 8708 1 9 . 1 1 126 126 ILE CA C 126 66.291 66.291 61.782 4.509 19852 8709 1 9 . 1 1 126 126 ILE CB C 126 39.353 39.353 38.289 1.064 19852 8710 1 9 . 1 1 126 126 ILE H H 126 7.511 7.511 7.456 0.055 19852 8711 1 9 . 1 1 127 127 LYS N N 127 117.681 117.681 124.952 -7.271 19852 8712 1 9 . 1 1 127 127 LYS C C 127 177.152 177.152 176.880 0.272 19852 8713 1 9 . 1 1 127 127 LYS CA C 127 57.507 57.507 58.597 -1.091 19852 8714 1 9 . 1 1 127 127 LYS CB C 127 31.154 31.154 32.693 -1.539 19852 8715 1 9 . 1 1 127 127 LYS H H 127 8.059 8.059 8.507 -0.448 19852 8716 1 9 . 1 1 128 128 ASP N N 128 118.279 118.279 119.275 -0.996 19852 8717 1 9 . 1 1 128 128 ASP C C 128 176.566 176.566 175.070 1.496 19852 8718 1 9 . 1 1 128 128 ASP CA C 128 53.407 53.407 53.089 0.318 19852 8719 1 9 . 1 1 128 128 ASP CB C 128 40.524 40.524 40.334 0.190 19852 8720 1 9 . 1 1 128 128 ASP H H 128 7.241 7.241 8.037 -0.796 19852 8721 1 9 . 1 1 129 129 ARG N N 129 118.943 118.943 124.749 -5.806 19852 8722 1 9 . 1 1 129 129 ARG C C 129 177.738 177.738 176.091 1.647 19852 8723 1 9 . 1 1 129 129 ARG CA C 129 45.794 45.794 56.115 -10.321 19852 8724 1 9 . 1 1 129 129 ARG CB C 129 31.154 31.154 30.993 0.161 19852 8725 1 9 . 1 1 129 129 ARG H H 129 8.423 8.423 8.201 0.222 19852 8726 1 9 . 1 1 130 130 LYS N N 130 109.381 109.381 124.891 -15.510 19852 8727 1 9 . 1 1 130 130 LYS C C 130 176.566 176.566 176.628 -0.062 19852 8728 1 9 . 1 1 130 130 LYS CA C 130 55.164 55.164 57.715 -2.551 19852 8729 1 9 . 1 1 130 130 LYS CB C 130 36.424 36.424 33.594 2.830 19852 8730 1 9 . 1 1 130 130 LYS H H 130 7.296 7.296 8.478 -1.182 19852 8731 1 9 . 1 1 131 131 VAL N N 131 110.377 110.377 121.687 -11.310 19852 8732 1 9 . 1 1 131 131 VAL C C 131 178.617 178.617 174.682 3.935 19852 8733 1 9 . 1 1 131 131 VAL CA C 131 65.705 65.705 62.070 3.635 19852 8734 1 9 . 1 1 131 131 VAL CB C 131 35.839 35.839 31.524 4.315 19852 8735 1 9 . 1 1 131 131 VAL H H 131 9.283 9.283 8.274 1.009 19852 8736 1 9 . 1 1 132 132 LYS N N 132 110.310 110.310 127.347 -17.037 19852 8737 1 9 . 1 1 132 132 LYS C C 132 176.273 176.273 177.723 -1.450 19852 8738 1 9 . 1 1 132 132 LYS CA C 132 59.849 59.849 54.512 5.337 19852 8739 1 9 . 1 1 132 132 LYS CB C 132 35.253 35.253 34.373 0.880 19852 8740 1 9 . 1 1 132 132 LYS H H 132 9.709 9.709 7.583 2.126 19852 8741 1 9 . 1 1 133 133 ALA N N 133 134.349 134.349 124.320 10.029 19852 8742 1 9 . 1 1 133 133 ALA CA C 133 51.065 51.065 55.314 -4.249 19852 8743 1 9 . 1 1 133 133 ALA CB C 133 12.999 12.999 18.122 -5.123 19852 8744 1 9 . 1 1 133 133 ALA H H 133 6.322 6.322 8.737 -2.415 19852 8745 1 9 . 1 1 134 134 LYS N N 134 117.615 117.615 117.299 0.316 19852 8746 1 9 . 1 1 134 134 LYS C C 134 176.859 176.859 178.903 -2.044 19852 8747 1 9 . 1 1 134 134 LYS CA C 134 55.750 55.750 59.402 -3.652 19852 8748 1 9 . 1 1 134 134 LYS CB C 134 54.579 54.579 32.227 22.352 19852 8749 1 9 . 1 1 134 134 LYS H H 134 6.549 6.549 8.648 -2.099 19852 8750 1 9 . 1 1 135 135 SER N N 135 109.314 109.314 112.267 -2.953 19852 8751 1 9 . 1 1 135 135 SER C C 135 173.635 173.635 174.440 -0.805 19852 8752 1 9 . 1 1 135 135 SER CA C 135 56.336 56.336 58.170 -1.834 19852 8753 1 9 . 1 1 135 135 SER CB C 135 63.949 63.949 64.235 -0.286 19852 8754 1 9 . 1 1 135 135 SER H H 135 7.840 7.840 7.593 0.247 19852 8755 1 9 . 1 1 136 136 ILE N N 136 124.123 124.123 124.045 0.078 19852 8756 1 9 . 1 1 136 136 ILE C C 136 175.100 175.100 174.381 0.719 19852 8757 1 9 . 1 1 136 136 ILE CA C 136 68.634 68.634 61.435 7.199 19852 8758 1 9 . 1 1 136 136 ILE CB C 136 43.452 43.452 37.157 6.295 19852 8759 1 9 . 1 1 136 136 ILE H H 136 8.098 8.098 7.339 0.759 19852 8760 1 9 . 1 1 137 137 VAL N N 137 113.232 113.232 127.657 -14.425 19852 8761 1 9 . 1 1 137 137 VAL C C 137 176.859 176.859 176.764 0.095 19852 8762 1 9 . 1 1 137 137 VAL CA C 137 64.534 64.534 62.461 2.073 19852 8763 1 9 . 1 1 137 137 VAL CB C 137 34.082 34.082 32.191 1.891 19852 8764 1 9 . 1 1 137 137 VAL H H 137 7.711 7.711 8.386 -0.675 19852 8765 1 9 . 1 1 138 138 PHE N N 138 118.279 118.279 122.049 -3.770 19852 8766 1 9 . 1 1 138 138 PHE C C 138 175.393 175.393 176.314 -0.921 19852 8767 1 9 . 1 1 138 138 PHE CA C 138 58.092 58.092 61.686 -3.594 19852 8768 1 9 . 1 1 138 138 PHE CB C 138 39.353 39.353 38.960 0.393 19852 8769 1 9 . 1 1 138 138 PHE H H 138 8.317 8.317 8.044 0.273 19852 8770 1 9 . 1 1 139 139 HIS N N 139 107.654 107.654 115.953 -8.299 19852 8771 1 9 . 1 1 139 139 HIS C C 139 175.979 175.979 177.771 -1.792 19852 8772 1 9 . 1 1 139 139 HIS CA C 139 53.993 53.993 59.967 -5.974 19852 8773 1 9 . 1 1 139 139 HIS CB C 139 28.811 28.811 29.421 -0.610 19852 8774 1 9 . 1 1 139 139 HIS H H 139 8.016 8.016 8.259 -0.243 19852 8775 1 9 . 1 1 140 140 ARG N N 140 117.084 117.084 119.865 -2.781 19852 8776 1 9 . 1 1 140 140 ARG C C 140 176.859 176.859 179.001 -2.142 19852 8777 1 9 . 1 1 140 140 ARG CA C 140 57.507 57.507 59.734 -2.227 19852 8778 1 9 . 1 1 140 140 ARG CB C 140 31.739 31.739 30.118 1.621 19852 8779 1 9 . 1 1 140 140 ARG H H 140 8.763 8.763 7.669 1.094 19852 8780 1 9 . 1 1 141 141 LYS N N 141 115.623 115.623 119.051 -3.428 19852 8781 1 9 . 1 1 141 141 LYS C C 141 173.635 173.635 177.894 -4.259 19852 8782 1 9 . 1 1 141 141 LYS CA C 141 58.092 58.092 58.686 -0.594 19852 8783 1 9 . 1 1 141 141 LYS CB C 141 33.496 33.496 32.194 1.302 19852 8784 1 9 . 1 1 141 141 LYS H H 141 7.449 7.449 7.915 -0.466 19852 8785 1 9 . 1 1 142 142 LYS N N 142 114.162 114.162 114.890 -0.728 19852 8786 1 9 . 1 1 142 142 LYS C C 142 175.979 175.979 175.981 -0.002 19852 8787 1 9 . 1 1 142 142 LYS CA C 142 51.065 51.065 54.663 -3.598 19852 8788 1 9 . 1 1 142 142 LYS CB C 142 34.668 34.668 32.097 2.571 19852 8789 1 9 . 1 1 142 142 LYS H H 142 8.982 8.982 7.198 1.784 19852 8790 1 9 . 1 1 143 143 ASN N N 143 112.103 112.103 115.285 -3.182 19852 8791 1 9 . 1 1 143 143 ASN C C 143 175.100 175.100 174.134 0.966 19852 8792 1 9 . 1 1 143 143 ASN CA C 143 53.407 53.407 54.190 -0.783 19852 8793 1 9 . 1 1 143 143 ASN CB C 143 39.938 39.938 36.243 3.695 19852 8794 1 9 . 1 1 143 143 ASN H H 143 7.402 7.402 7.922 -0.520 19852 8795 1 9 . 1 1 144 144 LEU N N 144 118.810 118.810 117.517 1.293 19852 8796 1 9 . 1 1 144 144 LEU CA C 144 53.993 53.993 53.667 0.326 19852 8797 1 9 . 1 1 144 144 LEU CB C 144 42.866 42.866 43.966 -1.100 19852 8798 1 9 . 1 1 144 144 LEU H H 144 7.793 7.793 7.971 -0.178 19852 8799 1 9 . 1 1 145 145 GLN N N 145 119.607 119.607 117.665 1.942 19852 8800 1 9 . 1 1 145 145 GLN C C 145 176.859 176.859 174.262 2.597 19852 8801 1 9 . 1 1 145 145 GLN CA C 145 55.164 55.164 53.249 1.915 19852 8802 1 9 . 1 1 145 145 GLN CB C 145 29.983 29.983 30.613 -0.630 19852 8803 1 9 . 1 1 145 145 GLN H H 145 7.014 7.014 7.460 -0.446 19852 8804 1 9 . 1 1 146 146 TYR N N 146 119.275 119.275 124.645 -5.370 19852 8805 1 9 . 1 1 146 146 TYR C C 146 174.807 174.807 174.284 0.523 19852 8806 1 9 . 1 1 146 146 TYR CA C 146 62.777 62.777 56.131 6.646 19852 8807 1 9 . 1 1 146 146 TYR CB C 146 41.109 41.109 39.689 1.420 19852 8808 1 9 . 1 1 146 146 TYR H H 146 9.350 9.350 8.210 1.140 19852 8809 1 9 . 1 1 147 147 TYR N N 147 123.658 123.658 125.584 -1.926 19852 8810 1 9 . 1 1 147 147 TYR C C 147 177.738 177.738 173.479 4.259 19852 8811 1 9 . 1 1 147 147 TYR CA C 147 58.092 58.092 56.367 1.725 19852 8812 1 9 . 1 1 147 147 TYR CB C 147 39.938 39.938 41.990 -2.052 19852 8813 1 9 . 1 1 147 147 TYR H H 147 8.340 8.340 8.155 0.185 19852 8814 1 9 . 1 1 148 148 ASP N N 148 121.267 121.267 123.558 -2.291 19852 8815 1 9 . 1 1 148 148 ASP C C 148 176.859 176.859 175.467 1.392 19852 8816 1 9 . 1 1 148 148 ASP CA C 148 54.579 54.579 54.733 -0.155 19852 8817 1 9 . 1 1 148 148 ASP CB C 148 41.109 41.109 41.845 -0.736 19852 8818 1 9 . 1 1 148 148 ASP H H 148 8.911 8.911 8.401 0.510 19852 8819 1 9 . 1 1 149 149 ILE N N 149 119.607 119.607 120.145 -0.538 19852 8820 1 9 . 1 1 149 149 ILE C C 149 174.807 174.807 174.316 0.491 19852 8821 1 9 . 1 1 149 149 ILE CA C 149 61.020 61.020 59.328 1.692 19852 8822 1 9 . 1 1 149 149 ILE CB C 149 39.353 39.353 42.499 -3.146 19852 8823 1 9 . 1 1 149 149 ILE H H 149 8.712 8.712 8.690 0.022 19852 8824 1 9 . 1 1 150 150 SER N N 150 117.349 117.349 119.077 -1.728 19852 8825 1 9 . 1 1 150 150 SER C C 150 175.686 175.686 174.286 1.400 19852 8826 1 9 . 1 1 150 150 SER CA C 150 60.435 60.435 56.682 3.753 19852 8827 1 9 . 1 1 150 150 SER CB C 150 62.192 62.192 66.006 -3.814 19852 8828 1 9 . 1 1 150 150 SER H H 150 8.454 8.454 8.571 -0.117 19852 8829 1 9 . 1 1 151 151 ALA N N 151 131.162 131.162 130.240 0.922 19852 8830 1 9 . 1 1 151 151 ALA C C 151 160.742 160.742 179.353 -18.611 19852 8831 1 9 . 1 1 151 151 ALA CA C 151 53.993 53.993 55.281 -1.288 19852 8832 1 9 . 1 1 151 151 ALA CB C 151 22.369 22.369 18.750 3.619 19852 8833 1 9 . 1 1 151 151 ALA H H 151 10.640 10.640 8.998 1.642 19852 8834 1 9 . 1 1 152 152 LYS N N 152 121.400 121.400 118.385 3.015 19852 8835 1 9 . 1 1 152 152 LYS C C 152 174.221 174.221 178.046 -3.825 19852 8836 1 9 . 1 1 152 152 LYS CA C 152 59.849 59.849 59.511 0.338 19852 8837 1 9 . 1 1 152 152 LYS CB C 152 34.668 34.668 32.383 2.285 19852 8838 1 9 . 1 1 152 152 LYS H H 152 9.099 9.099 8.726 0.373 19852 8839 1 9 . 1 1 153 153 SER N N 153 115.212 115.212 111.347 3.865 19852 8840 1 9 . 1 1 153 153 SER C C 153 177.152 177.152 174.404 2.748 19852 8841 1 9 . 1 1 153 153 SER CA C 153 62.192 62.192 58.256 3.936 19852 8842 1 9 . 1 1 153 153 SER CB C 153 66.291 66.291 63.863 2.428 19852 8843 1 9 . 1 1 153 153 SER H H 153 8.935 8.935 7.892 1.043 19852 8844 1 9 . 1 1 154 154 ASN N N 154 119.341 119.341 116.287 3.054 19852 8845 1 9 . 1 1 154 154 ASN C C 154 175.979 175.979 173.984 1.995 19852 8846 1 9 . 1 1 154 154 ASN CA C 154 49.894 49.894 54.728 -4.834 19852 8847 1 9 . 1 1 154 154 ASN CB C 154 39.353 39.353 36.767 2.587 19852 8848 1 9 . 1 1 154 154 ASN H H 154 7.488 7.488 7.814 -0.326 19852 8849 1 9 . 1 1 155 155 TYR N N 155 113.498 113.498 123.298 -9.800 19852 8850 1 9 . 1 1 155 155 TYR C C 155 173.928 173.928 175.207 -1.279 19852 8851 1 9 . 1 1 155 155 TYR CA C 155 56.336 56.336 59.671 -3.335 19852 8852 1 9 . 1 1 155 155 TYR CB C 155 37.596 37.596 38.978 -1.382 19852 8853 1 9 . 1 1 155 155 TYR H H 155 6.486 6.486 8.257 -1.771 19852 8854 1 9 . 1 1 156 156 ASN N N 156 122.396 122.396 122.221 0.175 19852 8855 1 9 . 1 1 156 156 ASN C C 156 175.979 175.979 174.416 1.563 19852 8856 1 9 . 1 1 156 156 ASN CA C 156 51.651 51.651 54.298 -2.647 19852 8857 1 9 . 1 1 156 156 ASN CB C 156 38.767 38.767 36.072 2.695 19852 8858 1 9 . 1 1 156 156 ASN H H 156 8.352 8.352 8.828 -0.476 19852 8859 1 9 . 1 1 157 157 PHE N N 157 123.459 123.459 119.421 4.038 19852 8860 1 9 . 1 1 157 157 PHE C C 157 174.221 174.221 176.596 -2.375 19852 8861 1 9 . 1 1 157 157 PHE CA C 157 57.507 57.507 60.826 -3.319 19852 8862 1 9 . 1 1 157 157 PHE CB C 157 39.353 39.353 39.427 -0.074 19852 8863 1 9 . 1 1 157 157 PHE H H 157 7.429 7.429 7.570 -0.141 19852 8864 1 9 . 1 1 158 158 GLU N N 158 112.568 112.568 118.683 -6.115 19852 8865 1 9 . 1 1 158 158 GLU C C 158 176.566 176.566 178.691 -2.125 19852 8866 1 9 . 1 1 158 158 GLU CA C 158 72.147 72.147 59.514 12.633 19852 8867 1 9 . 1 1 158 158 GLU CB C 158 27.640 27.640 29.018 -1.379 19852 8868 1 9 . 1 1 158 158 GLU H H 158 7.495 7.495 9.014 -1.519 19852 8869 1 9 . 1 1 159 159 LYS N N 159 113.232 113.232 119.001 -5.769 19852 8870 1 9 . 1 1 159 159 LYS C C 159 176.566 176.566 175.673 0.893 19852 8871 1 9 . 1 1 159 159 LYS CA C 159 53.993 53.993 60.744 -6.751 19852 8872 1 9 . 1 1 159 159 LYS CB C 159 33.496 33.496 29.960 3.536 19852 8873 1 9 . 1 1 159 159 LYS H H 159 6.862 6.862 8.231 -1.369 19852 8874 1 9 . 1 1 160 160 PRO C C 160 176.273 176.273 178.438 -2.165 19852 8875 1 9 . 1 1 160 160 PRO CA C 160 64.258 64.258 65.543 -1.286 19852 8876 1 9 . 1 1 160 160 PRO CB C 160 32.318 32.318 31.026 1.292 19852 8877 1 9 . 1 1 161 161 PHE N N 161 120.271 120.271 116.180 4.091 19852 8878 1 9 . 1 1 161 161 PHE C C 161 175.100 175.100 177.543 -2.443 19852 8879 1 9 . 1 1 161 161 PHE CA C 161 56.336 56.336 61.968 -5.633 19852 8880 1 9 . 1 1 161 161 PHE CB C 161 39.353 39.353 37.678 1.675 19852 8881 1 9 . 1 1 161 161 PHE H H 161 8.074 8.074 7.217 0.857 19852 8882 1 9 . 1 1 162 162 LEU N N 162 110.177 110.177 119.476 -9.299 19852 8883 1 9 . 1 1 162 162 LEU C C 162 176.273 176.273 178.523 -2.250 19852 8884 1 9 . 1 1 162 162 LEU CA C 162 55.750 55.750 57.946 -2.196 19852 8885 1 9 . 1 1 162 162 LEU CB C 162 44.037 44.037 41.208 2.829 19852 8886 1 9 . 1 1 162 162 LEU H H 162 7.527 7.527 8.011 -0.484 19852 8887 1 9 . 1 1 163 163 TRP N N 163 123.525 123.525 120.921 2.604 19852 8888 1 9 . 1 1 163 163 TRP C C 163 177.152 177.152 178.086 -0.934 19852 8889 1 9 . 1 1 163 163 TRP CA C 163 61.606 61.606 62.061 -0.455 19852 8890 1 9 . 1 1 163 163 TRP CB C 163 28.811 28.811 29.511 -0.700 19852 8891 1 9 . 1 1 163 163 TRP H H 163 7.476 7.476 7.878 -0.402 19852 8892 1 9 . 1 1 164 164 LEU N N 164 119.740 119.740 119.021 0.719 19852 8893 1 9 . 1 1 164 164 LEU C C 164 175.686 175.686 179.027 -3.341 19852 8894 1 9 . 1 1 164 164 LEU CA C 164 61.020 61.020 57.963 3.057 19852 8895 1 9 . 1 1 164 164 LEU CB C 164 45.794 45.794 41.467 4.327 19852 8896 1 9 . 1 1 164 164 LEU H H 164 9.412 9.412 8.120 1.292 19852 8897 1 9 . 1 1 165 165 ALA N N 165 118.013 118.013 121.517 -3.504 19852 8898 1 9 . 1 1 165 165 ALA C C 165 165.723 165.723 179.643 -13.920 19852 8899 1 9 . 1 1 165 165 ALA CA C 165 52.236 52.236 55.367 -3.131 19852 8900 1 9 . 1 1 165 165 ALA CB C 165 21.784 21.784 18.312 3.472 19852 8901 1 9 . 1 1 165 165 ALA H H 165 7.707 7.707 8.490 -0.783 19852 8902 1 9 . 1 1 166 166 ARG N N 166 122.994 122.994 118.173 4.821 19852 8903 1 9 . 1 1 166 166 ARG C C 166 175.979 175.979 179.113 -3.134 19852 8904 1 9 . 1 1 166 166 ARG CA C 166 49.308 49.308 59.270 -9.962 19852 8905 1 9 . 1 1 166 166 ARG CB C 166 29.397 29.397 30.084 -0.687 19852 8906 1 9 . 1 1 166 166 ARG H H 166 8.692 8.692 8.132 0.560 19852 8907 1 9 . 1 1 167 167 LYS N N 167 112.568 112.568 119.460 -6.892 19852 8908 1 9 . 1 1 167 167 LYS C C 167 176.273 176.273 179.274 -3.001 19852 8909 1 9 . 1 1 167 167 LYS CA C 167 58.092 58.092 58.447 -0.355 19852 8910 1 9 . 1 1 167 167 LYS CB C 167 34.668 34.668 31.614 3.054 19852 8911 1 9 . 1 1 167 167 LYS H H 167 6.819 6.819 7.565 -0.746 19852 8912 1 9 . 1 1 168 168 LEU N N 168 114.959 114.959 119.729 -4.770 19852 8913 1 9 . 1 1 168 168 LEU C C 168 177.738 177.738 179.071 -1.333 19852 8914 1 9 . 1 1 168 168 LEU CA C 168 56.921 56.921 57.443 -0.522 19852 8915 1 9 . 1 1 168 168 LEU CB C 168 41.695 41.695 41.459 0.236 19852 8916 1 9 . 1 1 168 168 LEU H H 168 7.269 7.269 7.886 -0.617 19852 8917 1 9 . 1 1 169 169 ILE N N 169 124.986 124.986 117.217 7.769 19852 8918 1 9 . 1 1 169 169 ILE C C 169 171.877 171.877 177.090 -5.213 19852 8919 1 9 . 1 1 169 169 ILE CA C 169 68.048 68.048 63.201 4.847 19852 8920 1 9 . 1 1 169 169 ILE CB C 169 39.353 39.353 38.627 0.726 19852 8921 1 9 . 1 1 169 169 ILE H H 169 8.915 8.915 8.038 0.877 19852 8922 1 9 . 1 1 170 170 GLY N N 170 113.099 113.099 106.768 6.331 19852 8923 1 9 . 1 1 170 170 GLY C C 170 162.496 162.496 173.904 -11.408 19852 8924 1 9 . 1 1 170 170 GLY CA C 170 44.037 44.037 44.849 -0.812 19852 8925 1 9 . 1 1 170 170 GLY H H 170 6.686 6.686 7.997 -1.311 19852 8926 1 9 . 1 1 171 171 ASP N N 171 113.232 113.232 121.454 -8.222 19852 8927 1 9 . 1 1 171 171 ASP C C 171 178.910 178.910 175.468 3.442 19852 8928 1 9 . 1 1 171 171 ASP CA C 171 50.479 50.479 50.508 -0.029 19852 8929 1 9 . 1 1 171 171 ASP CB C 171 41.109 41.109 41.983 -0.874 19852 8930 1 9 . 1 1 171 171 ASP H H 171 6.815 6.815 7.654 -0.839 19852 8931 1 9 . 1 1 172 172 PRO C C 172 176.566 176.566 176.651 -0.085 19852 8932 1 9 . 1 1 172 172 PRO CA C 172 63.965 63.965 63.744 0.221 19852 8933 1 9 . 1 1 172 172 PRO CB C 172 31.732 31.732 32.296 -0.564 19852 8934 1 9 . 1 1 173 173 ASN N N 173 109.779 109.779 116.744 -6.965 19852 8935 1 9 . 1 1 173 173 ASN C C 173 175.979 175.979 175.298 0.681 19852 8936 1 9 . 1 1 173 173 ASN CA C 173 54.579 54.579 53.221 1.358 19852 8937 1 9 . 1 1 173 173 ASN CB C 173 36.424 36.424 38.828 -2.404 19852 8938 1 9 . 1 1 173 173 ASN H H 173 8.016 8.016 8.426 -0.410 19852 8939 1 9 . 1 1 174 174 LEU N N 174 109.248 109.248 122.924 -13.676 19852 8940 1 9 . 1 1 174 174 LEU C C 174 176.566 176.566 175.531 1.035 19852 8941 1 9 . 1 1 174 174 LEU CA C 174 56.336 56.336 55.974 0.361 19852 8942 1 9 . 1 1 174 174 LEU CB C 174 44.037 44.037 42.736 1.301 19852 8943 1 9 . 1 1 174 174 LEU H H 174 7.871 7.871 7.163 0.708 19852 8944 1 9 . 1 1 175 175 GLU N N 175 125.185 125.185 124.263 0.922 19852 8945 1 9 . 1 1 175 175 GLU C C 175 177.445 177.445 174.582 2.863 19852 8946 1 9 . 1 1 175 175 GLU CA C 175 76.247 76.247 54.059 22.188 19852 8947 1 9 . 1 1 175 175 GLU CB C 175 28.811 28.811 34.136 -5.325 19852 8948 1 9 . 1 1 175 175 GLU H H 175 9.127 9.127 8.201 0.926 19852 8949 1 9 . 1 1 176 176 PHE N N 176 136.873 136.873 121.749 15.124 19852 8950 1 9 . 1 1 176 176 PHE C C 176 178.617 178.617 176.779 1.838 19852 8951 1 9 . 1 1 176 176 PHE CA C 176 59.264 59.264 56.092 3.172 19852 8952 1 9 . 1 1 176 176 PHE CB C 176 44.623 44.623 38.027 6.596 19852 8953 1 9 . 1 1 176 176 PHE H H 176 10.058 10.058 8.632 1.426 19852 8954 1 9 . 1 1 177 177 VAL N N 177 118.877 118.877 127.213 -8.336 19852 8955 1 9 . 1 1 177 177 VAL C C 177 177.445 177.445 176.576 0.869 19852 8956 1 9 . 1 1 177 177 VAL CA C 177 62.777 62.777 64.956 -2.179 19852 8957 1 9 . 1 1 177 177 VAL CB C 177 34.668 34.668 32.227 2.441 19852 8958 1 9 . 1 1 177 177 VAL H H 177 7.789 7.789 8.691 -0.902 19852 8959 1 9 . 1 1 178 178 ALA N N 178 128.904 128.904 119.727 9.177 19852 8960 1 9 . 1 1 178 178 ALA CA C 178 57.507 57.507 51.259 6.248 19852 8961 1 9 . 1 1 178 178 ALA CB C 178 19.441 19.441 21.563 -2.122 19852 8962 1 9 . 1 1 178 178 ALA H H 178 7.566 7.566 7.515 0.051 19852 8963 1 9 . 1 1 179 179 MET N N 179 120.736 120.736 121.849 -1.113 19852 8964 1 9 . 1 1 179 179 MET C C 179 176.859 176.859 174.408 2.451 19852 8965 1 9 . 1 1 179 179 MET CA C 179 56.336 56.336 52.602 3.734 19852 8966 1 9 . 1 1 179 179 MET CB C 179 34.668 34.668 33.488 1.180 19852 8967 1 9 . 1 1 179 179 MET H H 179 7.930 7.930 8.489 -0.559 19852 8968 1 9 . 1 1 180 180 PRO C C 180 177.445 177.445 175.651 1.794 19852 8969 1 9 . 1 1 180 180 PRO CA C 180 64.844 64.844 62.451 2.393 19852 8970 1 9 . 1 1 180 180 PRO CB C 180 29.974 29.974 31.955 -1.981 19852 8971 1 9 . 1 1 181 181 ALA N N 181 128.439 128.439 123.307 5.132 19852 8972 1 9 . 1 1 181 181 ALA C C 181 176.273 176.273 176.046 0.227 19852 8973 1 9 . 1 1 181 181 ALA CA C 181 58.092 58.092 52.594 5.498 19852 8974 1 9 . 1 1 181 181 ALA CB C 181 21.198 21.198 19.063 2.135 19852 8975 1 9 . 1 1 181 181 ALA H H 181 8.673 8.673 8.149 0.524 19852 8976 1 9 . 1 1 182 182 LEU N N 182 122.130 122.130 123.253 -1.123 19852 8977 1 9 . 1 1 182 182 LEU C C 182 177.445 177.445 176.844 0.601 19852 8978 1 9 . 1 1 182 182 LEU CA C 182 55.164 55.164 52.463 2.701 19852 8979 1 9 . 1 1 182 182 LEU CB C 182 42.866 42.866 45.393 -2.527 19852 8980 1 9 . 1 1 182 182 LEU H H 182 8.821 8.821 8.023 0.798 19852 8981 1 9 . 1 1 183 183 ALA N N 183 108.783 108.783 125.392 -16.609 19852 8982 1 9 . 1 1 183 183 ALA C C 183 160.742 160.742 175.492 -14.750 19852 8983 1 9 . 1 1 183 183 ALA CA C 183 51.651 51.651 50.692 0.959 19852 8984 1 9 . 1 1 183 183 ALA CB C 183 18.856 18.856 18.002 0.855 19852 8985 1 9 . 1 1 183 183 ALA H H 183 7.621 7.621 8.382 -0.761 19852 8986 1 9 . 1 1 184 184 PRO C C 184 177.152 177.152 174.893 2.259 19852 8987 1 9 . 1 1 184 184 PRO CA C 184 64.258 64.258 62.110 2.148 19852 8988 1 9 . 1 1 184 184 PRO CB C 184 29.681 29.681 31.514 -1.833 19852 8989 1 9 . 1 1 185 185 PRO C C 185 175.686 175.686 177.297 -1.611 19852 8990 1 9 . 1 1 185 185 PRO CA C 185 63.379 63.379 63.008 0.371 19852 8991 1 9 . 1 1 185 185 PRO CB C 185 35.248 35.248 32.093 3.155 19852 8992 1 9 . 1 1 186 186 GLU N N 186 104.931 104.931 124.318 -19.387 19852 8993 1 9 . 1 1 186 186 GLU C C 186 174.221 174.221 176.706 -2.485 19852 8994 1 9 . 1 1 186 186 GLU CA C 186 57.507 57.507 58.288 -0.781 19852 8995 1 9 . 1 1 186 186 GLU CB C 186 31.739 31.739 29.969 1.770 19852 8996 1 9 . 1 1 186 186 GLU H H 186 8.673 8.673 8.802 -0.129 19852 8997 1 9 . 1 1 187 187 VAL N N 187 124.455 124.455 112.050 12.405 19852 8998 1 9 . 1 1 187 187 VAL C C 187 178.910 178.910 174.186 4.724 19852 8999 1 9 . 1 1 187 187 VAL CA C 187 63.363 63.363 60.355 3.008 19852 9000 1 9 . 1 1 187 187 VAL CB C 187 34.082 34.082 34.972 -0.890 19852 9001 1 9 . 1 1 187 187 VAL H H 187 8.622 8.622 7.382 1.240 19852 9002 1 9 . 1 1 188 188 VAL N N 188 128.572 128.572 121.490 7.082 19852 9003 1 9 . 1 1 188 188 VAL C C 188 178.324 178.324 175.364 2.960 19852 9004 1 9 . 1 1 188 188 VAL CA C 188 68.634 68.634 61.651 6.983 19852 9005 1 9 . 1 1 188 188 VAL CB C 188 31.154 31.154 33.257 -2.103 19852 9006 1 9 . 1 1 188 188 VAL H H 188 8.497 8.497 8.190 0.307 19852 9007 1 9 . 1 1 189 189 MET N N 189 122.795 122.795 126.694 -3.899 19852 9008 1 9 . 1 1 189 189 MET C C 189 177.445 177.445 175.221 2.224 19852 9009 1 9 . 1 1 189 189 MET CA C 189 55.164 55.164 55.033 0.131 19852 9010 1 9 . 1 1 189 189 MET CB C 189 35.253 35.253 33.412 1.841 19852 9011 1 9 . 1 1 189 189 MET H H 189 6.991 6.991 8.467 -1.476 19852 9012 1 9 . 1 1 190 190 ASP N N 190 114.959 114.959 127.659 -12.700 19852 9013 1 9 . 1 1 190 190 ASP C C 190 175.686 175.686 175.533 0.153 19852 9014 1 9 . 1 1 190 190 ASP CA C 190 51.065 51.065 53.174 -2.109 19852 9015 1 9 . 1 1 190 190 ASP CB C 190 41.695 41.695 41.234 0.461 19852 9016 1 9 . 1 1 190 190 ASP H H 190 7.210 7.210 8.557 -1.347 19852 9017 1 9 . 1 1 191 191 PRO C C 191 176.566 176.566 178.115 -1.549 19852 9018 1 9 . 1 1 191 191 PRO CA C 191 63.965 63.965 65.550 -1.585 19852 9019 1 9 . 1 1 191 191 PRO CB C 191 31.146 31.146 31.843 -0.697 19852 9020 1 9 . 1 1 192 192 ALA N N 192 109.513 109.513 120.612 -11.099 19852 9021 1 9 . 1 1 192 192 ALA CA C 192 53.993 53.993 54.876 -0.883 19852 9022 1 9 . 1 1 192 192 ALA CB C 192 19.441 19.441 18.091 1.350 19852 9023 1 9 . 1 1 192 192 ALA H H 192 7.394 7.394 8.345 -0.951 19852 9024 1 9 . 1 1 193 193 LEU N N 193 119.009 119.009 119.675 -0.666 19852 9025 1 9 . 1 1 193 193 LEU C C 193 175.979 175.979 178.828 -2.849 19852 9026 1 9 . 1 1 193 193 LEU CA C 193 56.336 56.336 57.000 -0.664 19852 9027 1 9 . 1 1 193 193 LEU CB C 193 42.866 42.866 41.314 1.552 19852 9028 1 9 . 1 1 193 193 LEU H H 193 8.340 8.340 7.420 0.920 19852 9029 1 9 . 1 1 194 194 ALA N N 194 121.666 121.666 121.486 0.180 19852 9030 1 9 . 1 1 194 194 ALA C C 194 166.896 166.896 179.279 -12.383 19852 9031 1 9 . 1 1 194 194 ALA CA C 194 55.164 55.164 54.892 0.272 19852 9032 1 9 . 1 1 194 194 ALA CB C 194 16.513 16.513 18.111 -1.599 19852 9033 1 9 . 1 1 194 194 ALA H H 194 8.176 8.176 8.000 0.176 19852 9034 1 9 . 1 1 195 195 ALA N N 195 119.541 119.541 121.090 -1.549 19852 9035 1 9 . 1 1 195 195 ALA C C 195 173.928 173.928 179.474 -5.546 19852 9036 1 9 . 1 1 195 195 ALA CA C 195 57.507 57.507 54.781 2.726 19852 9037 1 9 . 1 1 195 195 ALA CB C 195 19.441 19.441 18.279 1.162 19852 9038 1 9 . 1 1 195 195 ALA H H 195 8.364 8.364 8.155 0.209 19852 9039 1 9 . 1 1 196 196 GLN N N 196 107.322 107.322 119.223 -11.901 19852 9040 1 9 . 1 1 196 196 GLN C C 196 176.273 176.273 178.277 -2.004 19852 9041 1 9 . 1 1 196 196 GLN CA C 196 56.921 56.921 58.582 -1.661 19852 9042 1 9 . 1 1 196 196 GLN CB C 196 29.983 29.983 28.168 1.815 19852 9043 1 9 . 1 1 196 196 GLN H H 196 7.910 7.910 7.936 -0.026 19852 9044 1 9 . 1 1 197 197 TYR N N 197 115.623 115.623 119.025 -3.402 19852 9045 1 9 . 1 1 197 197 TYR CA C 197 67.462 67.462 59.058 8.404 19852 9046 1 9 . 1 1 197 197 TYR CB C 197 41.695 41.695 37.814 3.881 19852 9047 1 9 . 1 1 197 197 TYR H H 197 8.196 8.196 8.220 -0.024 19852 9048 1 9 . 1 1 198 198 GLU N N 198 110.244 110.244 120.352 -10.108 19852 9049 1 9 . 1 1 198 198 GLU C C 198 176.273 176.273 179.016 -2.743 19852 9050 1 9 . 1 1 198 198 GLU CA C 198 53.407 53.407 59.317 -5.910 19852 9051 1 9 . 1 1 198 198 GLU CB C 198 30.568 30.568 29.683 0.885 19852 9052 1 9 . 1 1 198 198 GLU H H 198 7.523 7.523 8.247 -0.724 19852 9053 1 9 . 1 1 199 199 HIS N N 199 118.611 118.611 120.211 -1.600 19852 9054 1 9 . 1 1 199 199 HIS C C 199 175.686 175.686 177.199 -1.513 19852 9055 1 9 . 1 1 199 199 HIS CA C 199 56.921 56.921 59.468 -2.547 19852 9056 1 9 . 1 1 199 199 HIS CB C 199 28.226 28.226 29.797 -1.571 19852 9057 1 9 . 1 1 199 199 HIS H H 199 8.512 8.512 8.450 0.062 19852 9058 1 9 . 1 1 200 200 ASP N N 200 120.736 120.736 119.788 0.948 19852 9059 1 9 . 1 1 200 200 ASP C C 200 176.273 176.273 178.616 -2.343 19852 9060 1 9 . 1 1 200 200 ASP CA C 200 56.921 56.921 57.347 -0.426 19852 9061 1 9 . 1 1 200 200 ASP CB C 200 40.524 40.524 40.534 -0.010 19852 9062 1 9 . 1 1 200 200 ASP H H 200 7.519 7.519 8.446 -0.927 19852 9063 1 9 . 1 1 201 201 LEU N N 201 116.353 116.353 121.281 -4.928 19852 9064 1 9 . 1 1 201 201 LEU C C 201 178.910 178.910 178.668 0.242 19852 9065 1 9 . 1 1 201 201 LEU CA C 201 61.606 61.606 57.653 3.953 19852 9066 1 9 . 1 1 201 201 LEU CB C 201 41.109 41.109 41.984 -0.875 19852 9067 1 9 . 1 1 201 201 LEU H H 201 7.722 7.722 7.968 -0.246 19852 9068 1 9 . 1 1 202 202 GLU N N 202 118.080 118.080 118.729 -0.649 19852 9069 1 9 . 1 1 202 202 GLU C C 202 176.566 176.566 179.097 -2.531 19852 9070 1 9 . 1 1 202 202 GLU CA C 202 56.921 56.921 59.578 -2.657 19852 9071 1 9 . 1 1 202 202 GLU CB C 202 30.568 30.568 29.691 0.877 19852 9072 1 9 . 1 1 202 202 GLU H H 202 8.857 8.857 7.956 0.901 19852 9073 1 9 . 1 1 203 203 VAL N N 203 129.369 129.369 119.306 10.063 19852 9074 1 9 . 1 1 203 203 VAL C C 203 178.617 178.617 178.017 0.600 19852 9075 1 9 . 1 1 203 203 VAL CA C 203 64.534 64.534 66.588 -2.054 19852 9076 1 9 . 1 1 203 203 VAL CB C 203 27.640 27.640 31.573 -3.933 19852 9077 1 9 . 1 1 203 203 VAL H H 203 9.283 9.283 8.073 1.210 19852 9078 1 9 . 1 1 204 204 ALA N N 204 109.580 109.580 118.386 -8.806 19852 9079 1 9 . 1 1 204 204 ALA C C 204 176.859 176.859 179.011 -2.152 19852 9080 1 9 . 1 1 204 204 ALA CA C 204 54.579 54.579 52.589 1.990 19852 9081 1 9 . 1 1 204 204 ALA CB C 204 18.270 18.270 18.323 -0.053 19852 9082 1 9 . 1 1 204 204 ALA H H 204 8.528 8.528 7.560 0.968 19852 9083 1 9 . 1 1 205 205 GLN N N 205 115.756 115.756 119.599 -3.843 19852 9084 1 9 . 1 1 205 205 GLN C C 205 175.979 175.979 177.720 -1.741 19852 9085 1 9 . 1 1 205 205 GLN CA C 205 48.137 48.137 58.531 -10.394 19852 9086 1 9 . 1 1 205 205 GLN CB C 205 25.883 25.883 28.846 -2.963 19852 9087 1 9 . 1 1 205 205 GLN H H 205 7.973 7.973 7.547 0.426 19852 9088 1 9 . 1 1 206 206 THR N N 206 120.271 120.271 111.077 9.194 19852 9089 1 9 . 1 1 206 206 THR C C 206 176.273 176.273 174.031 2.242 19852 9090 1 9 . 1 1 206 206 THR CA C 206 67.462 67.462 61.747 5.715 19852 9091 1 9 . 1 1 206 206 THR CB C 206 70.390 70.390 66.859 3.531 19852 9092 1 9 . 1 1 206 206 THR H H 206 7.585 7.585 7.581 0.004 19852 9093 1 9 . 1 1 207 207 THR N N 207 111.970 111.970 110.653 1.317 19852 9094 1 9 . 1 1 207 207 THR C C 207 176.566 176.566 173.914 2.652 19852 9095 1 9 . 1 1 207 207 THR CA C 207 64.534 64.534 63.362 1.172 19852 9096 1 9 . 1 1 207 207 THR CB C 207 72.733 72.733 66.513 6.221 19852 9097 1 9 . 1 1 207 207 THR H H 207 7.468 7.468 7.923 -0.455 19852 9098 1 9 . 1 1 208 208 ALA N N 208 115.623 115.623 122.205 -6.582 19852 9099 1 9 . 1 1 208 208 ALA C C 208 168.947 168.947 177.107 -8.160 19852 9100 1 9 . 1 1 208 208 ALA CA C 208 55.164 55.164 51.072 4.093 19852 9101 1 9 . 1 1 208 208 ALA CB C 208 22.369 22.369 20.464 1.905 19852 9102 1 9 . 1 1 208 208 ALA H H 208 7.390 7.390 7.733 -0.343 19852 9103 1 9 . 1 1 209 209 LEU N N 209 117.814 117.814 118.171 -0.357 19852 9104 1 9 . 1 1 209 209 LEU C C 209 176.273 176.273 175.463 0.810 19852 9105 1 9 . 1 1 209 209 LEU CA C 209 58.678 58.678 56.877 1.801 19852 9106 1 9 . 1 1 209 209 LEU CB C 209 46.380 46.380 39.942 6.438 19852 9107 1 9 . 1 1 209 209 LEU H H 209 7.652 7.652 8.275 -0.623 19852 9108 1 9 . 1 1 210 210 PRO C C 210 176.566 176.566 177.035 -0.469 19852 9109 1 9 . 1 1 210 210 PRO CA C 210 63.086 63.086 63.016 0.070 19852 9110 1 9 . 1 1 210 210 PRO CB C 210 31.146 31.146 31.979 -0.833 19852 9111 1 9 . 1 1 211 211 ASP N N 211 121.134 121.134 124.810 -3.676 19852 9112 1 9 . 1 1 211 211 ASP C C 211 176.273 176.273 178.508 -2.235 19852 9113 1 9 . 1 1 211 211 ASP CA C 211 52.236 52.236 57.101 -4.865 19852 9114 1 9 . 1 1 211 211 ASP CB C 211 42.281 42.281 40.736 1.545 19852 9115 1 9 . 1 1 211 211 ASP H H 211 9.510 9.510 8.690 0.820 19852 9116 1 9 . 1 1 212 212 GLU N N 212 131.162 131.162 118.636 12.526 19852 9117 1 9 . 1 1 212 212 GLU C C 212 176.273 176.273 178.699 -2.426 19852 9118 1 9 . 1 1 212 212 GLU CA C 212 55.164 55.164 58.799 -3.635 19852 9119 1 9 . 1 1 212 212 GLU CB C 212 30.568 30.568 29.446 1.122 19852 9120 1 9 . 1 1 212 212 GLU H H 212 8.399 8.399 8.108 0.291 19852 9121 1 9 . 1 1 213 213 ASP N N 213 115.822 115.822 118.987 -3.165 19852 9122 1 9 . 1 1 213 213 ASP C C 213 174.807 174.807 178.721 -3.914 19852 9123 1 9 . 1 1 213 213 ASP CA C 213 51.065 51.065 56.787 -5.722 19852 9124 1 9 . 1 1 213 213 ASP CB C 213 41.109 41.109 40.434 0.675 19852 9125 1 9 . 1 1 213 213 ASP H H 213 10.699 10.699 7.604 3.095 19852 9126 1 9 . 1 1 214 214 ASP N N 214 112.369 112.369 118.577 -6.208 19852 9127 1 9 . 1 1 214 214 ASP C C 214 178.910 178.910 177.381 1.529 19852 9128 1 9 . 1 1 214 214 ASP CA C 214 54.579 54.579 56.250 -1.671 19852 9129 1 9 . 1 1 214 214 ASP CB C 214 39.353 39.353 41.103 -1.750 19852 9130 1 9 . 1 1 214 214 ASP H H 214 7.464 7.464 7.794 -0.330 19852 9131 1 9 . 1 1 215 215 ASP N N 215 127.244 127.244 119.118 8.126 19852 9132 1 9 . 1 1 215 215 ASP C C 215 176.859 176.859 177.005 -0.146 19852 9133 1 9 . 1 1 215 215 ASP CA C 215 54.579 54.579 56.543 -1.964 19852 9134 1 9 . 1 1 215 215 ASP CB C 215 40.524 40.524 41.136 -0.612 19852 9135 1 9 . 1 1 215 215 ASP H H 215 8.301 8.301 7.850 0.451 19852 9136 1 10 . 1 1 2 2 ALA N N 2 131.228 131.228 123.911 7.317 19852 9137 1 10 . 1 1 2 2 ALA C C 2 187.031 187.031 177.547 9.484 19852 9138 1 10 . 1 1 2 2 ALA CA C 2 53.407 53.407 53.605 -0.198 19852 9139 1 10 . 1 1 2 2 ALA CB C 2 20.027 20.027 18.857 1.170 19852 9140 1 10 . 1 1 2 2 ALA H H 2 10.644 10.644 8.299 2.345 19852 9141 1 10 . 1 1 3 3 ALA N N 3 124.521 124.521 121.188 3.333 19852 9142 1 10 . 1 1 3 3 ALA C C 3 176.566 176.566 176.552 0.014 19852 9143 1 10 . 1 1 3 3 ALA CA C 3 49.894 49.894 50.966 -1.072 19852 9144 1 10 . 1 1 3 3 ALA CB C 3 18.270 18.270 20.438 -2.168 19852 9145 1 10 . 1 1 3 3 ALA H H 3 8.669 8.669 7.861 0.808 19852 9146 1 10 . 1 1 4 4 GLN N N 4 118.080 118.080 122.188 -4.108 19852 9147 1 10 . 1 1 4 4 GLN C C 4 176.273 176.273 177.430 -1.157 19852 9148 1 10 . 1 1 4 4 GLN CA C 4 54.579 54.579 56.262 -1.683 19852 9149 1 10 . 1 1 4 4 GLN CB C 4 27.054 27.054 29.223 -2.169 19852 9150 1 10 . 1 1 4 4 GLN H H 4 8.919 8.919 8.465 0.454 19852 9151 1 10 . 1 1 5 5 GLY N N 5 121.002 121.002 109.771 11.231 19852 9152 1 10 . 1 1 5 5 GLY C C 5 181.877 181.877 174.467 7.410 19852 9153 1 10 . 1 1 5 5 GLY CA C 5 45.794 45.794 44.912 0.882 19852 9154 1 10 . 1 1 5 5 GLY H H 5 8.082 8.082 8.727 -0.645 19852 9155 1 10 . 1 1 6 6 GLU N N 6 129.435 129.435 121.864 7.571 19852 9156 1 10 . 1 1 6 6 GLU C C 6 176.566 176.566 175.086 1.480 19852 9157 1 10 . 1 1 6 6 GLU CA C 6 56.336 56.336 55.048 1.288 19852 9158 1 10 . 1 1 6 6 GLU CB C 6 28.811 28.811 29.973 -1.162 19852 9159 1 10 . 1 1 6 6 GLU H H 6 9.267 9.267 8.137 1.130 19852 9160 1 10 . 1 1 7 7 PRO C C 7 176.566 176.566 176.551 0.015 19852 9161 1 10 . 1 1 7 7 PRO CA C 7 63.672 63.672 62.572 1.101 19852 9162 1 10 . 1 1 7 7 PRO CB C 7 31.146 31.146 32.291 -1.145 19852 9163 1 10 . 1 1 8 8 GLN N N 8 112.502 112.502 118.940 -6.438 19852 9164 1 10 . 1 1 8 8 GLN C C 8 177.445 177.445 176.353 1.092 19852 9165 1 10 . 1 1 8 8 GLN CA C 8 50.479 50.479 55.949 -5.470 19852 9166 1 10 . 1 1 8 8 GLN CB C 8 28.811 28.811 28.676 0.135 19852 9167 1 10 . 1 1 8 8 GLN H H 8 6.220 6.220 8.360 -2.140 19852 9168 1 10 . 1 1 9 9 VAL N N 9 117.416 117.416 126.388 -8.972 19852 9169 1 10 . 1 1 9 9 VAL C C 9 178.324 178.324 174.191 4.133 19852 9170 1 10 . 1 1 9 9 VAL CA C 9 63.363 63.363 61.892 1.471 19852 9171 1 10 . 1 1 9 9 VAL CB C 9 34.668 34.668 31.834 2.834 19852 9172 1 10 . 1 1 9 9 VAL H H 9 6.561 6.561 8.635 -2.074 19852 9173 1 10 . 1 1 10 10 GLN N N 10 113.896 113.896 124.816 -10.920 19852 9174 1 10 . 1 1 10 10 GLN C C 10 176.273 176.273 174.756 1.517 19852 9175 1 10 . 1 1 10 10 GLN CA C 10 55.164 55.164 53.875 1.289 19852 9176 1 10 . 1 1 10 10 GLN CB C 10 28.226 28.226 32.147 -3.921 19852 9177 1 10 . 1 1 10 10 GLN H H 10 7.847 7.847 8.193 -0.346 19852 9178 1 10 . 1 1 11 11 PHE N N 11 118.744 118.744 122.616 -3.872 19852 9179 1 10 . 1 1 11 11 PHE C C 11 176.566 176.566 174.603 1.963 19852 9180 1 10 . 1 1 11 11 PHE CA C 11 59.849 59.849 56.463 3.386 19852 9181 1 10 . 1 1 11 11 PHE CB C 11 41.109 41.109 42.866 -1.757 19852 9182 1 10 . 1 1 11 11 PHE H H 11 8.262 8.262 8.912 -0.650 19852 9183 1 10 . 1 1 12 12 LYS N N 12 124.123 124.123 122.749 1.374 19852 9184 1 10 . 1 1 12 12 LYS C C 12 177.152 177.152 175.043 2.109 19852 9185 1 10 . 1 1 12 12 LYS CA C 12 57.507 57.507 55.811 1.696 19852 9186 1 10 . 1 1 12 12 LYS CB C 12 28.811 28.811 33.220 -4.409 19852 9187 1 10 . 1 1 12 12 LYS H H 12 8.415 8.415 8.966 -0.551 19852 9188 1 10 . 1 1 13 13 LEU N N 13 112.103 112.103 128.193 -16.090 19852 9189 1 10 . 1 1 13 13 LEU C C 13 177.738 177.738 174.638 3.100 19852 9190 1 10 . 1 1 13 13 LEU CA C 13 54.579 54.579 53.315 1.264 19852 9191 1 10 . 1 1 13 13 LEU CB C 13 42.866 42.866 45.800 -2.934 19852 9192 1 10 . 1 1 13 13 LEU H H 13 6.905 6.905 9.034 -2.128 19852 9193 1 10 . 1 1 14 14 VAL N N 14 127.310 127.310 126.928 0.382 19852 9194 1 10 . 1 1 14 14 VAL C C 14 175.393 175.393 173.769 1.624 19852 9195 1 10 . 1 1 14 14 VAL CA C 14 70.976 70.976 61.946 9.030 19852 9196 1 10 . 1 1 14 14 VAL CB C 14 28.811 28.811 32.874 -4.063 19852 9197 1 10 . 1 1 14 14 VAL H H 14 8.305 8.305 8.780 -0.475 19852 9198 1 10 . 1 1 15 15 LEU N N 15 121.400 121.400 131.412 -10.012 19852 9199 1 10 . 1 1 15 15 LEU C C 15 173.342 173.342 175.108 -1.766 19852 9200 1 10 . 1 1 15 15 LEU CA C 15 56.336 56.336 53.166 3.170 19852 9201 1 10 . 1 1 15 15 LEU CB C 15 41.695 41.695 44.465 -2.770 19852 9202 1 10 . 1 1 15 15 LEU H H 15 7.785 7.785 8.448 -0.663 19852 9203 1 10 . 1 1 16 16 VAL N N 16 121.267 121.267 121.420 -0.153 19852 9204 1 10 . 1 1 16 16 VAL C C 16 178.324 178.324 174.629 3.695 19852 9205 1 10 . 1 1 16 16 VAL CA C 16 63.363 63.363 58.531 4.832 19852 9206 1 10 . 1 1 16 16 VAL CB C 16 35.839 35.839 35.380 0.459 19852 9207 1 10 . 1 1 16 16 VAL H H 16 8.935 8.935 8.740 0.195 19852 9208 1 10 . 1 1 17 17 GLY N N 17 127.908 127.908 107.020 20.888 19852 9209 1 10 . 1 1 17 17 GLY C C 17 174.514 174.514 172.681 1.833 19852 9210 1 10 . 1 1 17 17 GLY CA C 17 42.281 42.281 44.911 -2.631 19852 9211 1 10 . 1 1 17 17 GLY H H 17 9.682 9.682 6.997 2.685 19852 9212 1 10 . 1 1 18 18 ASP N N 18 119.673 119.673 120.670 -0.997 19852 9213 1 10 . 1 1 18 18 ASP C C 18 176.859 176.859 177.245 -0.386 19852 9214 1 10 . 1 1 18 18 ASP CA C 18 55.750 55.750 54.373 1.377 19852 9215 1 10 . 1 1 18 18 ASP CB C 18 39.938 39.938 42.195 -2.257 19852 9216 1 10 . 1 1 18 18 ASP H H 18 7.879 7.879 8.420 -0.541 19852 9217 1 10 . 1 1 19 19 GLY N N 19 120.670 120.670 107.623 13.047 19852 9218 1 10 . 1 1 19 19 GLY C C 19 178.324 178.324 174.993 3.331 19852 9219 1 10 . 1 1 19 19 GLY CA C 19 42.281 42.281 45.444 -3.163 19852 9220 1 10 . 1 1 19 19 GLY H H 19 8.825 8.825 8.645 0.180 19852 9221 1 10 . 1 1 20 20 GLY N N 20 129.369 129.369 112.874 16.495 19852 9222 1 10 . 1 1 20 20 GLY C C 20 174.221 174.221 175.859 -1.638 19852 9223 1 10 . 1 1 20 20 GLY CA C 20 41.695 41.695 45.572 -3.877 19852 9224 1 10 . 1 1 20 20 GLY H H 20 8.477 8.477 8.709 -0.232 19852 9225 1 10 . 1 1 21 21 THR N N 21 114.560 114.560 118.043 -3.483 19852 9226 1 10 . 1 1 21 21 THR C C 21 178.617 178.617 174.897 3.720 19852 9227 1 10 . 1 1 21 21 THR CA C 21 62.192 62.192 66.459 -4.267 19852 9228 1 10 . 1 1 21 21 THR CB C 21 70.390 70.390 69.259 1.131 19852 9229 1 10 . 1 1 21 21 THR H H 21 8.196 8.196 7.774 0.422 19852 9230 1 10 . 1 1 22 22 GLY N N 22 112.369 112.369 106.320 6.049 19852 9231 1 10 . 1 1 22 22 GLY C C 22 184.807 184.807 175.229 9.578 19852 9232 1 10 . 1 1 22 22 GLY CA C 22 45.209 45.209 45.151 0.058 19852 9233 1 10 . 1 1 22 22 GLY H H 22 6.772 6.772 8.390 -1.618 19852 9234 1 10 . 1 1 23 23 LYS N N 23 124.056 124.056 121.382 2.674 19852 9235 1 10 . 1 1 23 23 LYS C C 23 176.566 176.566 177.968 -1.402 19852 9236 1 10 . 1 1 23 23 LYS CA C 23 56.921 56.921 59.600 -2.679 19852 9237 1 10 . 1 1 23 23 LYS CB C 23 35.839 35.839 32.033 3.806 19852 9238 1 10 . 1 1 23 23 LYS H H 23 8.180 8.180 8.541 -0.361 19852 9239 1 10 . 1 1 24 24 THR N N 24 114.627 114.627 115.015 -0.388 19852 9240 1 10 . 1 1 24 24 THR C C 24 178.324 178.324 176.532 1.792 19852 9241 1 10 . 1 1 24 24 THR CA C 24 62.192 62.192 67.194 -5.002 19852 9242 1 10 . 1 1 24 24 THR CB C 24 71.562 71.562 67.907 3.655 19852 9243 1 10 . 1 1 24 24 THR H H 24 8.469 8.469 8.183 0.286 19852 9244 1 10 . 1 1 25 25 THR N N 25 110.377 110.377 118.250 -7.873 19852 9245 1 10 . 1 1 25 25 THR C C 25 178.324 178.324 175.854 2.470 19852 9246 1 10 . 1 1 25 25 THR CA C 25 64.534 64.534 67.155 -2.621 19852 9247 1 10 . 1 1 25 25 THR CB C 25 71.562 71.562 68.454 3.108 19852 9248 1 10 . 1 1 25 25 THR H H 25 8.415 8.415 8.116 0.299 19852 9249 1 10 . 1 1 26 26 PHE N N 26 114.295 114.295 121.839 -7.544 19852 9250 1 10 . 1 1 26 26 PHE C C 26 174.514 174.514 177.693 -3.179 19852 9251 1 10 . 1 1 26 26 PHE CA C 26 53.407 53.407 61.529 -8.122 19852 9252 1 10 . 1 1 26 26 PHE CB C 26 40.524 40.524 39.179 1.345 19852 9253 1 10 . 1 1 26 26 PHE H H 26 7.707 7.707 8.113 -0.406 19852 9254 1 10 . 1 1 27 27 VAL N N 27 123.525 123.525 120.400 3.125 19852 9255 1 10 . 1 1 27 27 VAL C C 27 178.031 178.031 177.613 0.418 19852 9256 1 10 . 1 1 27 27 VAL CA C 27 67.462 67.462 66.600 0.862 19852 9257 1 10 . 1 1 27 27 VAL CB C 27 29.397 29.397 31.480 -2.083 19852 9258 1 10 . 1 1 27 27 VAL H H 27 6.987 6.987 8.247 -1.260 19852 9259 1 10 . 1 1 28 28 LYS N N 28 114.228 114.228 117.062 -2.834 19852 9260 1 10 . 1 1 28 28 LYS C C 28 176.566 176.566 177.596 -1.030 19852 9261 1 10 . 1 1 28 28 LYS CA C 28 58.092 58.092 58.022 0.070 19852 9262 1 10 . 1 1 28 28 LYS CB C 28 34.082 34.082 31.771 2.311 19852 9263 1 10 . 1 1 28 28 LYS H H 28 7.429 7.429 7.817 -0.388 19852 9264 1 10 . 1 1 29 29 ARG N N 29 112.037 112.037 116.850 -4.813 19852 9265 1 10 . 1 1 29 29 ARG C C 29 174.221 174.221 176.468 -2.247 19852 9266 1 10 . 1 1 29 29 ARG CA C 29 72.147 72.147 58.285 13.862 19852 9267 1 10 . 1 1 29 29 ARG CB C 29 37.596 37.596 30.202 7.394 19852 9268 1 10 . 1 1 29 29 ARG H H 29 6.803 6.803 7.092 -0.289 19852 9269 1 10 . 1 1 30 30 HIS N N 30 122.396 122.396 119.406 2.990 19852 9270 1 10 . 1 1 30 30 HIS C C 30 172.170 172.170 176.085 -3.915 19852 9271 1 10 . 1 1 30 30 HIS CA C 30 51.651 51.651 55.737 -4.086 19852 9272 1 10 . 1 1 30 30 HIS CB C 30 30.568 30.568 29.993 0.575 19852 9273 1 10 . 1 1 30 30 HIS H H 30 7.644 7.644 7.249 0.395 19852 9274 1 10 . 1 1 31 31 LEU N N 31 110.377 110.377 127.887 -17.510 19852 9275 1 10 . 1 1 31 31 LEU C C 31 178.031 178.031 178.260 -0.229 19852 9276 1 10 . 1 1 31 31 LEU CA C 31 55.164 55.164 57.911 -2.747 19852 9277 1 10 . 1 1 31 31 LEU CB C 31 42.281 42.281 41.598 0.683 19852 9278 1 10 . 1 1 31 31 LEU H H 31 7.894 7.894 7.903 -0.009 19852 9279 1 10 . 1 1 32 32 THR N N 32 118.213 118.213 114.283 3.930 19852 9280 1 10 . 1 1 32 32 THR C C 32 178.910 178.910 176.451 2.459 19852 9281 1 10 . 1 1 32 32 THR CA C 32 63.949 63.949 67.327 -3.378 19852 9282 1 10 . 1 1 32 32 THR CB C 32 72.733 72.733 68.049 4.684 19852 9283 1 10 . 1 1 32 32 THR H H 32 7.570 7.570 8.105 -0.535 19852 9284 1 10 . 1 1 33 33 GLY N N 33 127.841 127.841 109.343 18.498 19852 9285 1 10 . 1 1 33 33 GLY C C 33 161.914 161.914 175.599 -13.685 19852 9286 1 10 . 1 1 33 33 GLY CA C 33 42.866 42.866 46.788 -3.922 19852 9287 1 10 . 1 1 33 33 GLY H H 33 9.662 9.662 8.179 1.483 19852 9288 1 10 . 1 1 34 34 GLU N N 34 122.263 122.263 122.840 -0.577 19852 9289 1 10 . 1 1 34 34 GLU C C 34 176.859 176.859 179.639 -2.780 19852 9290 1 10 . 1 1 34 34 GLU CA C 34 51.651 51.651 58.749 -7.098 19852 9291 1 10 . 1 1 34 34 GLU CB C 34 29.397 29.397 29.644 -0.247 19852 9292 1 10 . 1 1 34 34 GLU H H 34 7.140 7.140 7.818 -0.678 19852 9293 1 10 . 1 1 35 35 PHE N N 35 111.838 111.838 117.906 -6.068 19852 9294 1 10 . 1 1 35 35 PHE C C 35 174.221 174.221 177.589 -3.368 19852 9295 1 10 . 1 1 35 35 PHE CA C 35 49.308 49.308 59.453 -10.145 19852 9296 1 10 . 1 1 35 35 PHE CB C 35 41.695 41.695 38.730 2.965 19852 9297 1 10 . 1 1 35 35 PHE H H 35 6.772 6.772 7.929 -1.157 19852 9298 1 10 . 1 1 36 36 GLU N N 36 124.388 124.388 116.079 8.309 19852 9299 1 10 . 1 1 36 36 GLU C C 36 176.859 176.859 176.049 0.810 19852 9300 1 10 . 1 1 36 36 GLU CA C 36 58.092 58.092 56.152 1.940 19852 9301 1 10 . 1 1 36 36 GLU CB C 36 30.568 30.568 29.958 0.610 19852 9302 1 10 . 1 1 36 36 GLU H H 36 7.734 7.734 8.094 -0.360 19852 9303 1 10 . 1 1 37 37 LYS N N 37 118.810 118.810 119.835 -1.025 19852 9304 1 10 . 1 1 37 37 LYS C C 37 172.756 172.756 176.378 -3.622 19852 9305 1 10 . 1 1 37 37 LYS CA C 37 48.137 48.137 56.619 -8.482 19852 9306 1 10 . 1 1 37 37 LYS CB C 37 37.010 37.010 32.794 4.216 19852 9307 1 10 . 1 1 37 37 LYS H H 37 8.509 8.509 7.214 1.295 19852 9308 1 10 . 1 1 38 38 LYS N N 38 108.052 108.052 124.474 -16.422 19852 9309 1 10 . 1 1 38 38 LYS C C 38 176.273 176.273 174.637 1.636 19852 9310 1 10 . 1 1 38 38 LYS CA C 38 59.849 59.849 54.281 5.568 19852 9311 1 10 . 1 1 38 38 LYS CB C 38 34.668 34.668 34.727 -0.059 19852 9312 1 10 . 1 1 38 38 LYS H H 38 7.715 7.715 8.563 -0.848 19852 9313 1 10 . 1 1 39 39 TYR N N 39 108.650 108.650 125.863 -17.213 19852 9314 1 10 . 1 1 39 39 TYR C C 39 175.686 175.686 175.408 0.278 19852 9315 1 10 . 1 1 39 39 TYR CA C 39 61.020 61.020 57.366 3.654 19852 9316 1 10 . 1 1 39 39 TYR CB C 39 36.424 36.424 39.606 -3.182 19852 9317 1 10 . 1 1 39 39 TYR H H 39 7.362 7.362 8.672 -1.310 19852 9318 1 10 . 1 1 40 40 VAL N N 40 117.947 117.947 128.549 -10.602 19852 9319 1 10 . 1 1 40 40 VAL C C 40 175.393 175.393 175.070 0.323 19852 9320 1 10 . 1 1 40 40 VAL CA C 40 61.020 61.020 60.792 0.228 19852 9321 1 10 . 1 1 40 40 VAL CB C 40 31.154 31.154 32.053 -0.899 19852 9322 1 10 . 1 1 40 40 VAL H H 40 8.442 8.442 8.442 -0.000 19852 9323 1 10 . 1 1 42 42 THR N N 42 117.150 117.150 111.228 5.922 19852 9324 1 10 . 1 1 42 42 THR C C 42 178.910 178.910 176.333 2.577 19852 9325 1 10 . 1 1 42 42 THR CA C 42 60.435 60.435 64.545 -4.110 19852 9326 1 10 . 1 1 42 42 THR CB C 42 70.390 70.390 68.161 2.229 19852 9327 1 10 . 1 1 42 42 THR H H 42 8.192 8.192 8.070 0.122 19852 9328 1 10 . 1 1 43 43 LEU N N 43 119.209 119.209 121.911 -2.702 19852 9329 1 10 . 1 1 43 43 LEU C C 43 174.807 174.807 177.626 -2.819 19852 9330 1 10 . 1 1 43 43 LEU CA C 43 57.507 57.507 55.450 2.057 19852 9331 1 10 . 1 1 43 43 LEU CB C 43 42.866 42.866 41.874 0.992 19852 9332 1 10 . 1 1 43 43 LEU H H 43 9.260 9.260 7.766 1.494 19852 9333 1 10 . 1 1 44 44 GLY N N 44 114.361 114.361 105.937 8.424 19852 9334 1 10 . 1 1 44 44 GLY C C 44 178.910 178.910 173.227 5.683 19852 9335 1 10 . 1 1 44 44 GLY CA C 44 54.579 54.579 45.581 8.998 19852 9336 1 10 . 1 1 44 44 GLY H H 44 6.979 6.979 8.005 -1.026 19852 9337 1 10 . 1 1 45 45 VAL N N 45 110.244 110.244 117.918 -7.674 19852 9338 1 10 . 1 1 45 45 VAL C C 45 174.807 174.807 173.538 1.269 19852 9339 1 10 . 1 1 45 45 VAL CA C 45 63.363 63.363 60.861 2.502 19852 9340 1 10 . 1 1 45 45 VAL CB C 45 17.099 17.099 35.339 -18.240 19852 9341 1 10 . 1 1 45 45 VAL H H 45 8.309 8.309 7.079 1.230 19852 9342 1 10 . 1 1 46 46 GLU N N 46 130.365 130.365 126.117 4.248 19852 9343 1 10 . 1 1 46 46 GLU C C 46 176.859 176.859 175.234 1.625 19852 9344 1 10 . 1 1 46 46 GLU CA C 46 55.164 55.164 54.688 0.476 19852 9345 1 10 . 1 1 46 46 GLU CB C 46 32.325 32.325 32.303 0.022 19852 9346 1 10 . 1 1 46 46 GLU H H 46 9.741 9.741 9.151 0.590 19852 9347 1 10 . 1 1 47 47 VAL N N 47 115.623 115.623 127.794 -12.171 19852 9348 1 10 . 1 1 47 47 VAL C C 47 178.324 178.324 174.868 3.456 19852 9349 1 10 . 1 1 47 47 VAL CA C 47 63.363 63.363 61.473 1.890 19852 9350 1 10 . 1 1 47 47 VAL CB C 47 32.911 32.911 32.474 0.437 19852 9351 1 10 . 1 1 47 47 VAL H H 47 7.339 7.339 9.022 -1.683 19852 9352 1 10 . 1 1 48 48 HIS N N 48 129.236 129.236 127.378 1.858 19852 9353 1 10 . 1 1 48 48 HIS C C 48 169.240 169.240 172.859 -3.619 19852 9354 1 10 . 1 1 48 48 HIS CA C 48 49.894 49.894 53.397 -3.503 19852 9355 1 10 . 1 1 48 48 HIS CB C 48 27.640 27.640 32.496 -4.856 19852 9356 1 10 . 1 1 48 48 HIS H H 48 10.390 10.390 9.457 0.933 19852 9357 1 10 . 1 1 49 49 PRO C C 49 176.273 176.273 175.622 0.651 19852 9358 1 10 . 1 1 49 49 PRO CA C 49 62.500 62.500 62.938 -0.438 19852 9359 1 10 . 1 1 49 49 PRO CB C 49 29.974 29.974 31.509 -1.535 19852 9360 1 10 . 1 1 50 50 LEU N N 50 119.408 119.408 129.092 -9.684 19852 9361 1 10 . 1 1 50 50 LEU C C 50 177.445 177.445 175.284 2.161 19852 9362 1 10 . 1 1 50 50 LEU CA C 50 59.264 59.264 54.067 5.197 19852 9363 1 10 . 1 1 50 50 LEU CB C 50 42.281 42.281 42.710 -0.429 19852 9364 1 10 . 1 1 50 50 LEU H H 50 7.492 7.492 8.880 -1.388 19852 9365 1 10 . 1 1 51 51 VAL N N 51 117.947 117.947 124.555 -6.608 19852 9366 1 10 . 1 1 51 51 VAL C C 51 174.514 174.514 175.060 -0.546 19852 9367 1 10 . 1 1 51 51 VAL CA C 51 64.534 64.534 62.163 2.370 19852 9368 1 10 . 1 1 51 51 VAL CB C 51 37.010 37.010 32.512 4.498 19852 9369 1 10 . 1 1 51 51 VAL H H 51 7.715 7.715 8.029 -0.314 19852 9370 1 10 . 1 1 52 52 PHE N N 52 124.853 124.853 126.568 -1.715 19852 9371 1 10 . 1 1 52 52 PHE C C 52 175.100 175.100 174.107 0.993 19852 9372 1 10 . 1 1 52 52 PHE CA C 52 56.336 56.336 56.412 -0.076 19852 9373 1 10 . 1 1 52 52 PHE CB C 52 39.938 39.938 42.392 -2.454 19852 9374 1 10 . 1 1 52 52 PHE H H 52 8.935 8.935 9.138 -0.203 19852 9375 1 10 . 1 1 53 53 HIS N N 53 120.603 120.603 124.616 -4.013 19852 9376 1 10 . 1 1 53 53 HIS C C 53 170.119 170.119 174.220 -4.101 19852 9377 1 10 . 1 1 53 53 HIS CA C 53 55.164 55.164 54.662 0.502 19852 9378 1 10 . 1 1 53 53 HIS CB C 53 30.568 30.568 31.173 -0.605 19852 9379 1 10 . 1 1 53 53 HIS H H 53 8.356 8.356 9.011 -0.655 19852 9380 1 10 . 1 1 54 54 THR N N 54 112.634 112.634 117.851 -5.217 19852 9381 1 10 . 1 1 54 54 THR C C 54 178.910 178.910 175.138 3.772 19852 9382 1 10 . 1 1 54 54 THR CA C 54 63.363 63.363 58.994 4.369 19852 9383 1 10 . 1 1 54 54 THR CB C 54 72.733 72.733 72.069 0.664 19852 9384 1 10 . 1 1 54 54 THR H H 54 7.574 7.574 8.044 -0.470 19852 9385 1 10 . 1 1 55 55 ASN N N 55 131.095 131.095 118.380 12.715 19852 9386 1 10 . 1 1 55 55 ASN C C 55 176.273 176.273 177.076 -0.803 19852 9387 1 10 . 1 1 55 55 ASN CA C 55 51.065 51.065 55.358 -4.293 19852 9388 1 10 . 1 1 55 55 ASN CB C 55 37.010 37.010 38.255 -1.245 19852 9389 1 10 . 1 1 55 55 ASN H H 55 10.187 10.187 8.420 1.767 19852 9390 1 10 . 1 1 56 56 ARG N N 56 122.064 122.064 118.624 3.440 19852 9391 1 10 . 1 1 56 56 ARG C C 56 175.100 175.100 176.325 -1.225 19852 9392 1 10 . 1 1 56 56 ARG CA C 56 61.606 61.606 57.401 4.205 19852 9393 1 10 . 1 1 56 56 ARG CB C 56 32.911 32.911 31.201 1.710 19852 9394 1 10 . 1 1 56 56 ARG H H 56 7.433 7.433 7.682 -0.249 19852 9395 1 10 . 1 1 57 57 GLY N N 57 127.709 127.709 103.650 24.059 19852 9396 1 10 . 1 1 57 57 GLY C C 57 175.979 175.979 171.670 4.309 19852 9397 1 10 . 1 1 57 57 GLY CA C 57 42.281 42.281 44.412 -2.131 19852 9398 1 10 . 1 1 57 57 GLY H H 57 9.373 9.373 7.470 1.903 19852 9399 1 10 . 1 1 58 58 PRO C C 58 177.152 177.152 175.810 1.342 19852 9400 1 10 . 1 1 58 58 PRO CA C 58 65.137 65.137 63.210 1.927 19852 9401 1 10 . 1 1 58 58 PRO CB C 58 29.095 29.095 32.225 -3.130 19852 9402 1 10 . 1 1 59 59 ILE N N 59 128.638 128.638 122.928 5.710 19852 9403 1 10 . 1 1 59 59 ILE C C 59 175.979 175.979 174.860 1.119 19852 9404 1 10 . 1 1 59 59 ILE CA C 59 65.120 65.120 60.221 4.899 19852 9405 1 10 . 1 1 59 59 ILE CB C 59 40.524 40.524 41.594 -1.070 19852 9406 1 10 . 1 1 59 59 ILE H H 59 8.794 8.794 9.057 -0.264 19852 9407 1 10 . 1 1 60 60 LYS N N 60 115.756 115.756 125.351 -9.595 19852 9408 1 10 . 1 1 60 60 LYS C C 60 175.979 175.979 175.490 0.489 19852 9409 1 10 . 1 1 60 60 LYS CA C 60 56.921 56.921 54.622 2.299 19852 9410 1 10 . 1 1 60 60 LYS CB C 60 32.325 32.325 34.851 -2.526 19852 9411 1 10 . 1 1 60 60 LYS H H 60 7.253 7.253 8.754 -1.501 19852 9412 1 10 . 1 1 61 61 PHE N N 61 120.670 120.670 123.828 -3.158 19852 9413 1 10 . 1 1 61 61 PHE C C 61 175.393 175.393 175.305 0.088 19852 9414 1 10 . 1 1 61 61 PHE CA C 61 57.507 57.507 56.807 0.700 19852 9415 1 10 . 1 1 61 61 PHE CB C 61 41.109 41.109 41.102 0.007 19852 9416 1 10 . 1 1 61 61 PHE H H 61 7.515 7.515 9.447 -1.932 19852 9417 1 10 . 1 1 62 62 ASN N N 62 119.076 119.076 124.669 -5.593 19852 9418 1 10 . 1 1 62 62 ASN C C 62 175.100 175.100 174.661 0.439 19852 9419 1 10 . 1 1 62 62 ASN CA C 62 53.407 53.407 53.338 0.069 19852 9420 1 10 . 1 1 62 62 ASN CB C 62 38.767 38.767 39.107 -0.340 19852 9421 1 10 . 1 1 62 62 ASN H H 62 7.558 7.558 9.328 -1.770 19852 9422 1 10 . 1 1 63 63 VAL N N 63 106.127 106.127 125.654 -19.527 19852 9423 1 10 . 1 1 63 63 VAL C C 63 175.100 175.100 175.660 -0.560 19852 9424 1 10 . 1 1 63 63 VAL CA C 63 61.020 61.020 62.857 -1.837 19852 9425 1 10 . 1 1 63 63 VAL CB C 63 31.154 31.154 32.516 -1.362 19852 9426 1 10 . 1 1 63 63 VAL H H 63 8.113 8.113 9.181 -1.068 19852 9427 1 10 . 1 1 64 64 TRP N N 64 129.302 129.302 130.038 -0.736 19852 9428 1 10 . 1 1 64 64 TRP C C 64 177.152 177.152 175.744 1.408 19852 9429 1 10 . 1 1 64 64 TRP CA C 64 59.264 59.264 54.889 4.375 19852 9430 1 10 . 1 1 64 64 TRP CB C 64 29.397 29.397 29.594 -0.197 19852 9431 1 10 . 1 1 64 64 TRP H H 64 8.970 8.970 9.585 -0.615 19852 9432 1 10 . 1 1 65 65 ASP N N 65 119.607 119.607 124.536 -4.929 19852 9433 1 10 . 1 1 65 65 ASP C C 65 174.514 174.514 176.105 -1.591 19852 9434 1 10 . 1 1 65 65 ASP CA C 65 55.164 55.164 52.712 2.452 19852 9435 1 10 . 1 1 65 65 ASP CB C 65 41.109 41.109 45.098 -3.989 19852 9436 1 10 . 1 1 65 65 ASP H H 65 8.638 8.638 9.305 -0.667 19852 9437 1 10 . 1 1 66 66 THR N N 66 122.463 122.463 116.701 5.762 19852 9438 1 10 . 1 1 66 66 THR C C 66 178.617 178.617 174.689 3.928 19852 9439 1 10 . 1 1 66 66 THR CA C 66 68.048 68.048 61.431 6.617 19852 9440 1 10 . 1 1 66 66 THR CB C 66 71.562 71.562 69.866 1.696 19852 9441 1 10 . 1 1 66 66 THR H H 66 8.293 8.293 8.620 -0.327 19852 9442 1 10 . 1 1 67 67 ALA N N 67 104.865 104.865 124.193 -19.328 19852 9443 1 10 . 1 1 67 67 ALA C C 67 177.738 177.738 177.739 -0.001 19852 9444 1 10 . 1 1 67 67 ALA CA C 67 48.722 48.722 51.900 -3.178 19852 9445 1 10 . 1 1 67 67 ALA CB C 67 14.171 14.171 19.159 -4.988 19852 9446 1 10 . 1 1 67 67 ALA H H 67 8.657 8.657 8.100 0.557 19852 9447 1 10 . 1 1 68 68 GLY N N 68 115.357 115.357 107.219 8.138 19852 9448 1 10 . 1 1 68 68 GLY C C 68 189.533 189.533 175.969 13.564 19852 9449 1 10 . 1 1 68 68 GLY CA C 68 45.209 45.209 45.185 0.024 19852 9450 1 10 . 1 1 68 68 GLY H H 68 10.969 10.969 7.646 3.323 19852 9451 1 10 . 1 1 69 69 GLN N N 69 110.111 110.111 119.474 -9.363 19852 9452 1 10 . 1 1 69 69 GLN C C 69 176.859 176.859 176.794 0.065 19852 9453 1 10 . 1 1 69 69 GLN CA C 69 55.750 55.750 58.487 -2.737 19852 9454 1 10 . 1 1 69 69 GLN CB C 69 27.640 27.640 28.031 -0.391 19852 9455 1 10 . 1 1 69 69 GLN H H 69 8.344 8.344 8.513 -0.169 19852 9456 1 10 . 1 1 70 70 GLU N N 70 114.826 114.826 116.698 -1.872 19852 9457 1 10 . 1 1 70 70 GLU C C 70 176.273 176.273 177.399 -1.126 19852 9458 1 10 . 1 1 70 70 GLU CA C 70 57.507 57.507 58.362 -0.855 19852 9459 1 10 . 1 1 70 70 GLU CB C 70 28.811 28.811 29.293 -0.482 19852 9460 1 10 . 1 1 70 70 GLU H H 70 9.651 9.651 8.370 1.282 19852 9461 1 10 . 1 1 71 71 LYS N N 71 116.685 116.685 117.388 -0.703 19852 9462 1 10 . 1 1 71 71 LYS C C 71 175.979 175.979 178.435 -2.456 19852 9463 1 10 . 1 1 71 71 LYS CA C 71 48.722 48.722 58.319 -9.597 19852 9464 1 10 . 1 1 71 71 LYS CB C 71 37.010 37.010 32.734 4.276 19852 9465 1 10 . 1 1 71 71 LYS H H 71 8.712 8.712 7.463 1.249 19852 9466 1 10 . 1 1 72 72 PHE N N 72 114.959 114.959 114.547 0.412 19852 9467 1 10 . 1 1 72 72 PHE C C 72 175.686 175.686 176.154 -0.468 19852 9468 1 10 . 1 1 72 72 PHE CA C 72 56.336 56.336 57.420 -1.084 19852 9469 1 10 . 1 1 72 72 PHE CB C 72 36.424 36.424 39.734 -3.310 19852 9470 1 10 . 1 1 72 72 PHE H H 72 7.965 7.965 7.335 0.630 19852 9471 1 10 . 1 1 73 73 GLY N N 73 117.084 117.084 107.461 9.623 19852 9472 1 10 . 1 1 73 73 GLY C C 73 168.068 168.068 172.392 -4.324 19852 9473 1 10 . 1 1 73 73 GLY CA C 73 42.281 42.281 45.130 -2.849 19852 9474 1 10 . 1 1 73 73 GLY H H 73 7.609 7.609 7.448 0.161 19852 9475 1 10 . 1 1 74 74 GLY N N 74 120.537 120.537 105.876 14.661 19852 9476 1 10 . 1 1 74 74 GLY C C 74 174.514 174.514 174.258 0.256 19852 9477 1 10 . 1 1 74 74 GLY CA C 74 44.037 44.037 44.248 -0.211 19852 9478 1 10 . 1 1 74 74 GLY H H 74 9.326 9.326 8.348 0.978 19852 9479 1 10 . 1 1 75 75 LEU N N 75 127.177 127.177 120.726 6.451 19852 9480 1 10 . 1 1 75 75 LEU C C 75 178.617 178.617 177.564 1.053 19852 9481 1 10 . 1 1 75 75 LEU CA C 75 53.407 53.407 54.097 -0.690 19852 9482 1 10 . 1 1 75 75 LEU CB C 75 42.281 42.281 43.161 -0.880 19852 9483 1 10 . 1 1 75 75 LEU H H 75 7.628 7.628 8.726 -1.098 19852 9484 1 10 . 1 1 76 76 ARG N N 76 116.486 116.486 122.694 -6.208 19852 9485 1 10 . 1 1 76 76 ARG C C 76 176.859 176.859 177.014 -0.155 19852 9486 1 10 . 1 1 76 76 ARG CA C 76 59.264 59.264 56.339 2.925 19852 9487 1 10 . 1 1 76 76 ARG CB C 76 31.154 31.154 31.087 0.067 19852 9488 1 10 . 1 1 76 76 ARG H H 76 7.143 7.143 8.579 -1.436 19852 9489 1 10 . 1 1 77 77 ASP N N 77 129.236 129.236 122.367 6.869 19852 9490 1 10 . 1 1 77 77 ASP C C 77 177.152 177.152 178.552 -1.400 19852 9491 1 10 . 1 1 77 77 ASP CA C 77 52.822 52.822 57.998 -5.176 19852 9492 1 10 . 1 1 77 77 ASP CB C 77 41.695 41.695 40.604 1.091 19852 9493 1 10 . 1 1 77 77 ASP H H 77 8.947 8.947 8.948 -0.001 19852 9494 1 10 . 1 1 78 78 GLY N N 78 127.244 127.244 107.514 19.730 19852 9495 1 10 . 1 1 78 78 GLY C C 78 173.928 173.928 175.261 -1.333 19852 9496 1 10 . 1 1 78 78 GLY CA C 78 44.623 44.623 47.022 -2.399 19852 9497 1 10 . 1 1 78 78 GLY H H 78 8.219 8.219 8.592 -0.373 19852 9498 1 10 . 1 1 79 79 TYR N N 79 120.537 120.537 121.324 -0.787 19852 9499 1 10 . 1 1 79 79 TYR C C 79 176.273 176.273 176.735 -0.462 19852 9500 1 10 . 1 1 79 79 TYR CA C 79 58.678 58.678 60.958 -2.280 19852 9501 1 10 . 1 1 79 79 TYR CB C 79 40.524 40.524 38.698 1.826 19852 9502 1 10 . 1 1 79 79 TYR H H 79 8.563 8.563 7.554 1.009 19852 9503 1 10 . 1 1 80 80 TYR N N 80 115.822 115.822 115.826 -0.004 19852 9504 1 10 . 1 1 80 80 TYR C C 80 175.979 175.979 176.486 -0.507 19852 9505 1 10 . 1 1 80 80 TYR CA C 80 58.092 58.092 60.932 -2.840 19852 9506 1 10 . 1 1 80 80 TYR CB C 80 38.181 38.181 38.508 -0.327 19852 9507 1 10 . 1 1 80 80 TYR H H 80 7.194 7.194 7.426 -0.232 19852 9508 1 10 . 1 1 81 81 ILE N N 81 120.072 120.072 118.264 1.808 19852 9509 1 10 . 1 1 81 81 ILE C C 81 177.445 177.445 175.980 1.465 19852 9510 1 10 . 1 1 81 81 ILE CA C 81 67.462 67.462 63.707 3.755 19852 9511 1 10 . 1 1 81 81 ILE CB C 81 41.109 41.109 37.904 3.205 19852 9512 1 10 . 1 1 81 81 ILE H H 81 8.837 8.837 8.009 0.828 19852 9513 1 10 . 1 1 82 82 GLN N N 82 109.580 109.580 118.740 -9.160 19852 9514 1 10 . 1 1 82 82 GLN C C 82 177.152 177.152 174.518 2.634 19852 9515 1 10 . 1 1 82 82 GLN CA C 82 56.336 56.336 56.370 -0.034 19852 9516 1 10 . 1 1 82 82 GLN CB C 82 24.126 24.126 26.317 -2.191 19852 9517 1 10 . 1 1 82 82 GLN H H 82 8.493 8.493 8.740 -0.247 19852 9518 1 10 . 1 1 83 83 ALA N N 83 109.713 109.713 120.822 -11.109 19852 9519 1 10 . 1 1 83 83 ALA C C 83 175.979 175.979 176.942 -0.963 19852 9520 1 10 . 1 1 83 83 ALA CA C 83 54.579 54.579 52.795 1.784 19852 9521 1 10 . 1 1 83 83 ALA CB C 83 16.513 16.513 19.224 -2.711 19852 9522 1 10 . 1 1 83 83 ALA H H 83 6.306 6.306 7.376 -1.070 19852 9523 1 10 . 1 1 84 84 GLN N N 84 131.380 131.380 123.291 8.089 19852 9524 1 10 . 1 1 84 84 GLN C C 84 175.686 175.686 176.157 -0.471 19852 9525 1 10 . 1 1 84 84 GLN CA C 84 51.065 51.065 57.036 -5.971 19852 9526 1 10 . 1 1 84 84 GLN CB C 84 32.325 32.325 31.252 1.073 19852 9527 1 10 . 1 1 84 84 GLN H H 84 11.169 11.169 8.523 2.646 19852 9528 1 10 . 1 1 85 85 CYS N N 85 124.322 124.322 112.644 11.678 19852 9529 1 10 . 1 1 85 85 CYS C C 85 173.049 173.049 172.748 0.301 19852 9530 1 10 . 1 1 85 85 CYS CA C 85 57.507 57.507 55.831 1.676 19852 9531 1 10 . 1 1 85 85 CYS CB C 85 35.253 35.253 31.878 3.375 19852 9532 1 10 . 1 1 85 85 CYS H H 85 8.602 8.602 8.142 0.460 19852 9533 1 10 . 1 1 86 86 ALA N N 86 114.295 114.295 122.145 -7.850 19852 9534 1 10 . 1 1 86 86 ALA CA C 86 57.507 57.507 50.751 6.756 19852 9535 1 10 . 1 1 86 86 ALA CB C 86 21.784 21.784 22.661 -0.877 19852 9536 1 10 . 1 1 86 86 ALA H H 86 6.897 6.897 8.791 -1.894 19852 9537 1 10 . 1 1 87 87 ILE N N 87 120.670 120.670 121.120 -0.450 19852 9538 1 10 . 1 1 87 87 ILE C C 87 173.928 173.928 174.682 -0.754 19852 9539 1 10 . 1 1 87 87 ILE CA C 87 61.020 61.020 59.911 1.109 19852 9540 1 10 . 1 1 87 87 ILE CB C 87 39.938 39.938 41.196 -1.258 19852 9541 1 10 . 1 1 87 87 ILE H H 87 8.282 8.282 8.666 -0.384 19852 9542 1 10 . 1 1 88 88 ILE N N 88 120.205 120.205 127.098 -6.893 19852 9543 1 10 . 1 1 88 88 ILE C C 88 173.635 173.635 175.172 -1.537 19852 9544 1 10 . 1 1 88 88 ILE CA C 88 64.534 64.534 60.015 4.519 19852 9545 1 10 . 1 1 88 88 ILE CB C 88 37.596 37.596 40.157 -2.562 19852 9546 1 10 . 1 1 88 88 ILE H H 88 5.528 5.528 8.949 -3.421 19852 9547 1 10 . 1 1 89 89 MET N N 89 119.209 119.209 126.124 -6.915 19852 9548 1 10 . 1 1 89 89 MET C C 89 176.566 176.566 175.565 1.001 19852 9549 1 10 . 1 1 89 89 MET CA C 89 56.921 56.921 54.208 2.713 19852 9550 1 10 . 1 1 89 89 MET CB C 89 34.668 34.668 34.860 -0.192 19852 9551 1 10 . 1 1 89 89 MET H H 89 8.164 8.164 8.878 -0.714 19852 9552 1 10 . 1 1 90 90 PHE N N 90 121.134 121.134 118.246 2.888 19852 9553 1 10 . 1 1 90 90 PHE C C 90 175.393 175.393 173.286 2.107 19852 9554 1 10 . 1 1 90 90 PHE CA C 90 60.435 60.435 55.376 5.059 19852 9555 1 10 . 1 1 90 90 PHE CB C 90 38.767 38.767 42.275 -3.508 19852 9556 1 10 . 1 1 90 90 PHE H H 90 9.334 9.334 8.803 0.531 19852 9557 1 10 . 1 1 91 91 ASP N N 91 125.185 125.185 120.717 4.468 19852 9558 1 10 . 1 1 91 91 ASP C C 91 176.566 176.566 178.105 -1.539 19852 9559 1 10 . 1 1 91 91 ASP CA C 91 52.822 52.822 52.359 0.463 19852 9560 1 10 . 1 1 91 91 ASP CB C 91 39.938 39.938 42.954 -3.016 19852 9561 1 10 . 1 1 91 91 ASP H H 91 9.056 9.056 8.926 0.130 19852 9562 1 10 . 1 1 92 92 VAL N N 92 115.158 115.158 123.473 -8.315 19852 9563 1 10 . 1 1 92 92 VAL C C 92 173.342 173.342 176.702 -3.360 19852 9564 1 10 . 1 1 92 92 VAL CA C 92 64.534 64.534 65.095 -0.561 19852 9565 1 10 . 1 1 92 92 VAL CB C 92 37.596 37.596 31.395 6.201 19852 9566 1 10 . 1 1 92 92 VAL H H 92 7.738 7.738 8.555 -0.817 19852 9567 1 10 . 1 1 93 93 THR N N 93 112.302 112.302 110.229 2.073 19852 9568 1 10 . 1 1 93 93 THR C C 93 177.152 177.152 174.795 2.357 19852 9569 1 10 . 1 1 93 93 THR CA C 93 64.534 64.534 63.353 1.181 19852 9570 1 10 . 1 1 93 93 THR CB C 93 72.147 72.147 69.180 2.968 19852 9571 1 10 . 1 1 93 93 THR H H 93 7.269 7.269 8.231 -0.962 19852 9572 1 10 . 1 1 94 94 SER N N 94 122.263 122.263 116.429 5.834 19852 9573 1 10 . 1 1 94 94 SER C C 94 163.965 163.965 174.909 -10.944 19852 9574 1 10 . 1 1 94 94 SER CA C 94 59.849 59.849 55.552 4.297 19852 9575 1 10 . 1 1 94 94 SER CB C 94 62.192 62.192 64.134 -1.942 19852 9576 1 10 . 1 1 94 94 SER H H 94 7.628 7.628 7.819 -0.191 19852 9577 1 10 . 1 1 95 95 ARG N N 95 113.099 113.099 128.018 -14.919 19852 9578 1 10 . 1 1 95 95 ARG C C 95 176.273 176.273 177.945 -1.672 19852 9579 1 10 . 1 1 95 95 ARG CA C 95 53.407 53.407 59.472 -6.065 19852 9580 1 10 . 1 1 95 95 ARG CB C 95 31.154 31.154 30.133 1.021 19852 9581 1 10 . 1 1 95 95 ARG H H 95 8.102 8.102 9.007 -0.905 19852 9582 1 10 . 1 1 96 96 VAL N N 96 124.787 124.787 119.240 5.547 19852 9583 1 10 . 1 1 96 96 VAL C C 96 178.031 178.031 177.670 0.361 19852 9584 1 10 . 1 1 96 96 VAL CA C 96 68.634 68.634 66.376 2.258 19852 9585 1 10 . 1 1 96 96 VAL CB C 96 24.126 24.126 31.330 -7.204 19852 9586 1 10 . 1 1 96 96 VAL H H 96 9.146 9.146 8.166 0.980 19852 9587 1 10 . 1 1 97 97 THR N N 97 111.970 111.970 116.079 -4.109 19852 9588 1 10 . 1 1 97 97 THR C C 97 178.031 178.031 176.080 1.951 19852 9589 1 10 . 1 1 97 97 THR CA C 97 63.949 63.949 66.478 -2.529 19852 9590 1 10 . 1 1 97 97 THR CB C 97 70.390 70.390 68.924 1.466 19852 9591 1 10 . 1 1 97 97 THR H H 97 7.984 7.984 7.580 0.404 19852 9592 1 10 . 1 1 98 98 TYR N N 98 113.232 113.232 121.300 -8.068 19852 9593 1 10 . 1 1 98 98 TYR C C 98 176.273 176.273 177.591 -1.318 19852 9594 1 10 . 1 1 98 98 TYR H H 98 7.605 7.605 7.583 0.022 19852 9595 1 10 . 1 1 99 99 LYS N N 99 121.998 121.998 118.498 3.500 19852 9596 1 10 . 1 1 99 99 LYS C C 99 174.221 174.221 178.305 -4.084 19852 9597 1 10 . 1 1 99 99 LYS CA C 99 59.264 59.264 59.249 0.015 19852 9598 1 10 . 1 1 99 99 LYS CB C 99 34.668 34.668 32.009 2.659 19852 9599 1 10 . 1 1 99 99 LYS H H 99 8.129 8.129 7.823 0.306 19852 9600 1 10 . 1 1 100 100 ASN N N 100 111.970 111.970 115.903 -3.933 19852 9601 1 10 . 1 1 100 100 ASN C C 100 175.979 175.979 176.547 -0.568 19852 9602 1 10 . 1 1 100 100 ASN CA C 100 53.407 53.407 54.776 -1.369 19852 9603 1 10 . 1 1 100 100 ASN CB C 100 37.596 37.596 38.589 -0.993 19852 9604 1 10 . 1 1 100 100 ASN H H 100 5.778 5.778 7.812 -2.034 19852 9605 1 10 . 1 1 101 101 VAL N N 101 118.877 118.877 121.803 -2.926 19852 9606 1 10 . 1 1 101 101 VAL C C 101 173.635 173.635 175.080 -1.445 19852 9607 1 10 . 1 1 101 101 VAL CA C 101 62.777 62.777 68.396 -5.619 19852 9608 1 10 . 1 1 101 101 VAL CB C 101 27.054 27.054 29.433 -2.379 19852 9609 1 10 . 1 1 101 101 VAL H H 101 7.370 7.370 7.446 -0.076 19852 9610 1 10 . 1 1 102 102 PRO C C 102 176.566 176.566 178.422 -1.856 19852 9611 1 10 . 1 1 102 102 PRO CA C 102 62.500 62.500 66.328 -3.828 19852 9612 1 10 . 1 1 102 102 PRO CB C 102 30.853 30.853 30.841 0.012 19852 9613 1 10 . 1 1 103 103 ASN N N 103 122.728 122.728 116.929 5.799 19852 9614 1 10 . 1 1 103 103 ASN C C 103 175.100 175.100 177.532 -2.432 19852 9615 1 10 . 1 1 103 103 ASN CA C 103 54.579 54.579 55.965 -1.386 19852 9616 1 10 . 1 1 103 103 ASN CB C 103 38.767 38.767 37.633 1.134 19852 9617 1 10 . 1 1 103 103 ASN H H 103 7.879 7.879 7.532 0.347 19852 9618 1 10 . 1 1 104 104 TRP N N 104 132.158 132.158 120.894 11.264 19852 9619 1 10 . 1 1 104 104 TRP C C 104 176.273 176.273 179.135 -2.862 19852 9620 1 10 . 1 1 104 104 TRP CA C 104 60.435 60.435 60.761 -0.326 19852 9621 1 10 . 1 1 104 104 TRP CB C 104 29.983 29.983 29.360 0.623 19852 9622 1 10 . 1 1 104 104 TRP H H 104 9.541 9.541 7.854 1.687 19852 9623 1 10 . 1 1 105 105 HIS N N 105 120.869 120.869 118.803 2.066 19852 9624 1 10 . 1 1 105 105 HIS C C 105 177.738 177.738 177.624 0.114 19852 9625 1 10 . 1 1 105 105 HIS H H 105 6.971 6.971 8.690 -1.719 19852 9626 1 10 . 1 1 106 106 ARG N N 106 126.314 126.314 118.844 7.470 19852 9627 1 10 . 1 1 106 106 ARG C C 106 176.566 176.566 178.755 -2.189 19852 9628 1 10 . 1 1 106 106 ARG CA C 106 62.777 62.777 59.998 2.779 19852 9629 1 10 . 1 1 106 106 ARG CB C 106 29.397 29.397 30.048 -0.651 19852 9630 1 10 . 1 1 106 106 ARG H H 106 7.507 7.507 8.340 -0.833 19852 9631 1 10 . 1 1 107 107 ASP N N 107 119.076 119.076 120.356 -1.280 19852 9632 1 10 . 1 1 107 107 ASP C C 107 176.566 176.566 178.368 -1.802 19852 9633 1 10 . 1 1 107 107 ASP CA C 107 55.164 55.164 57.045 -1.881 19852 9634 1 10 . 1 1 107 107 ASP CB C 107 41.695 41.695 40.392 1.303 19852 9635 1 10 . 1 1 107 107 ASP H H 107 9.076 9.076 7.962 1.114 19852 9636 1 10 . 1 1 108 108 LEU N N 108 113.299 113.299 121.203 -7.904 19852 9637 1 10 . 1 1 108 108 LEU C C 108 176.273 176.273 177.895 -1.622 19852 9638 1 10 . 1 1 108 108 LEU CA C 108 59.264 59.264 57.707 1.557 19852 9639 1 10 . 1 1 108 108 LEU CB C 108 48.722 48.722 41.763 6.959 19852 9640 1 10 . 1 1 108 108 LEU H H 108 6.725 6.725 7.836 -1.111 19852 9641 1 10 . 1 1 109 109 VAL N N 109 121.267 121.267 119.153 2.114 19852 9642 1 10 . 1 1 109 109 VAL C C 109 175.393 175.393 178.164 -2.771 19852 9643 1 10 . 1 1 109 109 VAL CA C 109 63.949 63.949 66.100 -2.151 19852 9644 1 10 . 1 1 109 109 VAL CB C 109 32.911 32.911 31.309 1.602 19852 9645 1 10 . 1 1 109 109 VAL H H 109 8.763 8.763 8.071 0.692 19852 9646 1 10 . 1 1 110 110 ARG N N 110 112.900 112.900 117.944 -5.044 19852 9647 1 10 . 1 1 110 110 ARG C C 110 176.273 176.273 178.177 -1.904 19852 9648 1 10 . 1 1 110 110 ARG CA C 110 57.507 57.507 58.865 -1.358 19852 9649 1 10 . 1 1 110 110 ARG CB C 110 30.568 30.568 30.297 0.271 19852 9650 1 10 . 1 1 110 110 ARG H H 110 7.241 7.241 7.683 -0.442 19852 9651 1 10 . 1 1 111 111 VAL N N 111 115.556 115.556 116.898 -1.342 19852 9652 1 10 . 1 1 111 111 VAL C C 111 177.445 177.445 176.364 1.081 19852 9653 1 10 . 1 1 111 111 VAL CA C 111 59.849 59.849 65.442 -5.593 19852 9654 1 10 . 1 1 111 111 VAL CB C 111 32.911 32.911 32.520 0.391 19852 9655 1 10 . 1 1 111 111 VAL H H 111 7.566 7.566 7.409 0.157 19852 9656 1 10 . 1 1 112 112 CYS N N 112 114.295 114.295 119.658 -5.363 19852 9657 1 10 . 1 1 112 112 CYS C C 112 169.826 169.826 173.290 -3.464 19852 9658 1 10 . 1 1 112 112 CYS CA C 112 57.507 57.507 57.851 -0.344 19852 9659 1 10 . 1 1 112 112 CYS CB C 112 35.839 35.839 29.369 6.470 19852 9660 1 10 . 1 1 112 112 CYS H H 112 7.425 7.425 8.166 -0.741 19852 9661 1 10 . 1 1 113 113 GLU N N 113 116.486 116.486 125.648 -9.162 19852 9662 1 10 . 1 1 113 113 GLU C C 113 176.566 176.566 175.601 0.965 19852 9663 1 10 . 1 1 113 113 GLU CA C 113 69.219 69.219 56.539 12.680 19852 9664 1 10 . 1 1 113 113 GLU CB C 113 30.568 30.568 30.542 0.026 19852 9665 1 10 . 1 1 113 113 GLU H H 113 7.241 7.241 8.660 -1.419 19852 9666 1 10 . 1 1 114 114 ASN N N 114 129.302 129.302 116.746 12.556 19852 9667 1 10 . 1 1 114 114 ASN C C 114 175.100 175.100 174.156 0.944 19852 9668 1 10 . 1 1 114 114 ASN CA C 114 52.236 52.236 53.840 -1.604 19852 9669 1 10 . 1 1 114 114 ASN CB C 114 39.938 39.938 37.423 2.515 19852 9670 1 10 . 1 1 114 114 ASN H H 114 8.919 8.919 8.614 0.305 19852 9671 1 10 . 1 1 115 115 ILE N N 115 110.443 110.443 120.495 -10.052 19852 9672 1 10 . 1 1 115 115 ILE C C 115 175.100 175.100 174.614 0.486 19852 9673 1 10 . 1 1 115 115 ILE CA C 115 65.705 65.705 57.256 8.449 19852 9674 1 10 . 1 1 115 115 ILE CB C 115 39.353 39.353 37.555 1.798 19852 9675 1 10 . 1 1 115 115 ILE H H 115 9.287 9.287 8.148 1.139 19852 9676 1 10 . 1 1 116 116 PRO C C 116 175.979 175.979 175.576 0.403 19852 9677 1 10 . 1 1 116 116 PRO CA C 116 63.086 63.086 62.909 0.177 19852 9678 1 10 . 1 1 116 116 PRO CB C 116 29.681 29.681 32.447 -2.766 19852 9679 1 10 . 1 1 117 117 ILE N N 117 123.591 123.591 123.291 0.300 19852 9680 1 10 . 1 1 117 117 ILE C C 117 174.807 174.807 175.217 -0.410 19852 9681 1 10 . 1 1 117 117 ILE CA C 117 66.291 66.291 60.149 6.142 19852 9682 1 10 . 1 1 117 117 ILE CB C 117 38.767 38.767 42.313 -3.546 19852 9683 1 10 . 1 1 117 117 ILE H H 117 7.781 7.781 8.511 -0.730 19852 9684 1 10 . 1 1 118 118 VAL N N 118 119.009 119.009 125.377 -6.368 19852 9685 1 10 . 1 1 118 118 VAL C C 118 178.324 178.324 174.620 3.704 19852 9686 1 10 . 1 1 118 118 VAL CA C 118 62.777 62.777 60.857 1.920 19852 9687 1 10 . 1 1 118 118 VAL CB C 118 31.154 31.154 33.941 -2.787 19852 9688 1 10 . 1 1 118 118 VAL H H 118 8.767 8.767 8.663 0.104 19852 9689 1 10 . 1 1 119 119 LEU N N 119 119.408 119.408 126.729 -7.321 19852 9690 1 10 . 1 1 119 119 LEU C C 119 178.031 178.031 176.154 1.877 19852 9691 1 10 . 1 1 119 119 LEU CA C 119 42.866 42.866 53.503 -10.637 19852 9692 1 10 . 1 1 119 119 LEU CB C 119 38.767 38.767 43.925 -5.158 19852 9693 1 10 . 1 1 119 119 LEU H H 119 7.734 7.734 9.017 -1.283 19852 9694 1 10 . 1 1 120 120 CYS N N 120 113.232 113.232 122.045 -8.813 19852 9695 1 10 . 1 1 120 120 CYS C C 120 178.031 178.031 174.249 3.782 19852 9696 1 10 . 1 1 120 120 CYS H H 120 8.317 8.317 9.038 -0.721 19852 9697 1 10 . 1 1 121 121 GLY N N 121 117.349 117.349 112.714 4.635 19852 9698 1 10 . 1 1 121 121 GLY C C 121 176.851 176.851 173.085 3.766 19852 9699 1 10 . 1 1 121 121 GLY CA C 121 41.109 41.109 43.715 -2.606 19852 9700 1 10 . 1 1 121 121 GLY H H 121 7.515 7.515 8.616 -1.101 19852 9701 1 10 . 1 1 122 122 ASN N N 122 125.318 125.318 125.451 -0.133 19852 9702 1 10 . 1 1 122 122 ASN C C 122 175.686 175.686 175.640 0.046 19852 9703 1 10 . 1 1 122 122 ASN CA C 122 50.479 50.479 51.725 -1.246 19852 9704 1 10 . 1 1 122 122 ASN CB C 122 39.353 39.353 40.272 -0.919 19852 9705 1 10 . 1 1 122 122 ASN H H 122 9.162 9.162 8.579 0.583 19852 9706 1 10 . 1 1 123 123 LYS N N 123 124.920 124.920 116.327 8.593 19852 9707 1 10 . 1 1 123 123 LYS C C 123 176.566 176.566 176.818 -0.252 19852 9708 1 10 . 1 1 123 123 LYS CA C 123 70.976 70.976 57.693 13.283 19852 9709 1 10 . 1 1 123 123 LYS CB C 123 35.253 35.253 30.576 4.677 19852 9710 1 10 . 1 1 123 123 LYS H H 123 8.086 8.086 8.860 -0.774 19852 9711 1 10 . 1 1 124 124 VAL N N 124 125.517 125.517 112.796 12.721 19852 9712 1 10 . 1 1 124 124 VAL C C 124 177.738 177.738 176.592 1.146 19852 9713 1 10 . 1 1 124 124 VAL CA C 124 62.777 62.777 64.132 -1.355 19852 9714 1 10 . 1 1 124 124 VAL CB C 124 33.496 33.496 31.389 2.107 19852 9715 1 10 . 1 1 124 124 VAL H H 124 9.483 9.483 7.610 1.873 19852 9716 1 10 . 1 1 125 125 ASP N N 125 119.607 119.607 119.986 -0.379 19852 9717 1 10 . 1 1 125 125 ASP C C 125 176.566 176.566 177.142 -0.576 19852 9718 1 10 . 1 1 125 125 ASP CA C 125 55.750 55.750 56.641 -0.890 19852 9719 1 10 . 1 1 125 125 ASP CB C 125 40.524 40.524 40.764 -0.240 19852 9720 1 10 . 1 1 125 125 ASP H H 125 7.875 7.875 7.648 0.227 19852 9721 1 10 . 1 1 126 126 ILE N N 126 116.088 116.088 120.630 -4.542 19852 9722 1 10 . 1 1 126 126 ILE C C 126 177.152 177.152 177.060 0.092 19852 9723 1 10 . 1 1 126 126 ILE CA C 126 66.291 66.291 61.803 4.488 19852 9724 1 10 . 1 1 126 126 ILE CB C 126 39.353 39.353 38.288 1.065 19852 9725 1 10 . 1 1 126 126 ILE H H 126 7.511 7.511 7.454 0.057 19852 9726 1 10 . 1 1 127 127 LYS N N 127 117.681 117.681 124.870 -7.189 19852 9727 1 10 . 1 1 127 127 LYS C C 127 177.152 177.152 176.930 0.222 19852 9728 1 10 . 1 1 127 127 LYS CA C 127 57.507 57.507 58.524 -1.017 19852 9729 1 10 . 1 1 127 127 LYS CB C 127 31.154 31.154 32.701 -1.547 19852 9730 1 10 . 1 1 127 127 LYS H H 127 8.059 8.059 8.507 -0.448 19852 9731 1 10 . 1 1 128 128 ASP N N 128 118.279 118.279 119.483 -1.204 19852 9732 1 10 . 1 1 128 128 ASP C C 128 176.566 176.566 175.119 1.447 19852 9733 1 10 . 1 1 128 128 ASP CA C 128 53.407 53.407 53.191 0.216 19852 9734 1 10 . 1 1 128 128 ASP CB C 128 40.524 40.524 40.222 0.302 19852 9735 1 10 . 1 1 128 128 ASP H H 128 7.241 7.241 8.057 -0.816 19852 9736 1 10 . 1 1 129 129 ARG N N 129 118.943 118.943 126.041 -7.098 19852 9737 1 10 . 1 1 129 129 ARG C C 129 177.738 177.738 176.081 1.657 19852 9738 1 10 . 1 1 129 129 ARG CA C 129 45.794 45.794 55.860 -10.066 19852 9739 1 10 . 1 1 129 129 ARG CB C 129 31.154 31.154 30.475 0.679 19852 9740 1 10 . 1 1 129 129 ARG H H 129 8.423 8.423 8.066 0.357 19852 9741 1 10 . 1 1 130 130 LYS N N 130 109.381 109.381 124.588 -15.207 19852 9742 1 10 . 1 1 130 130 LYS C C 130 176.566 176.566 176.868 -0.302 19852 9743 1 10 . 1 1 130 130 LYS CA C 130 55.164 55.164 57.577 -2.413 19852 9744 1 10 . 1 1 130 130 LYS CB C 130 36.424 36.424 33.157 3.267 19852 9745 1 10 . 1 1 130 130 LYS H H 130 7.296 7.296 8.182 -0.886 19852 9746 1 10 . 1 1 131 131 VAL N N 131 110.377 110.377 120.383 -10.006 19852 9747 1 10 . 1 1 131 131 VAL C C 131 178.617 178.617 174.761 3.856 19852 9748 1 10 . 1 1 131 131 VAL CA C 131 65.705 65.705 61.938 3.767 19852 9749 1 10 . 1 1 131 131 VAL CB C 131 35.839 35.839 31.637 4.202 19852 9750 1 10 . 1 1 131 131 VAL H H 131 9.283 9.283 8.385 0.898 19852 9751 1 10 . 1 1 132 132 LYS N N 132 110.310 110.310 127.297 -16.987 19852 9752 1 10 . 1 1 132 132 LYS C C 132 176.273 176.273 177.725 -1.452 19852 9753 1 10 . 1 1 132 132 LYS CA C 132 59.849 59.849 54.407 5.442 19852 9754 1 10 . 1 1 132 132 LYS CB C 132 35.253 35.253 34.501 0.752 19852 9755 1 10 . 1 1 132 132 LYS H H 132 9.709 9.709 7.629 2.080 19852 9756 1 10 . 1 1 133 133 ALA N N 133 134.349 134.349 124.228 10.121 19852 9757 1 10 . 1 1 133 133 ALA CA C 133 51.065 51.065 55.356 -4.292 19852 9758 1 10 . 1 1 133 133 ALA CB C 133 12.999 12.999 18.103 -5.104 19852 9759 1 10 . 1 1 133 133 ALA H H 133 6.322 6.322 8.749 -2.427 19852 9760 1 10 . 1 1 134 134 LYS N N 134 117.615 117.615 117.355 0.260 19852 9761 1 10 . 1 1 134 134 LYS C C 134 176.859 176.859 178.877 -2.018 19852 9762 1 10 . 1 1 134 134 LYS CA C 134 55.750 55.750 59.377 -3.627 19852 9763 1 10 . 1 1 134 134 LYS CB C 134 54.579 54.579 32.239 22.340 19852 9764 1 10 . 1 1 134 134 LYS H H 134 6.549 6.549 8.643 -2.094 19852 9765 1 10 . 1 1 135 135 SER N N 135 109.314 109.314 111.424 -2.110 19852 9766 1 10 . 1 1 135 135 SER C C 135 173.635 173.635 174.050 -0.415 19852 9767 1 10 . 1 1 135 135 SER CA C 135 56.336 56.336 57.558 -1.222 19852 9768 1 10 . 1 1 135 135 SER CB C 135 63.949 63.949 64.207 -0.258 19852 9769 1 10 . 1 1 135 135 SER H H 135 7.840 7.840 7.630 0.210 19852 9770 1 10 . 1 1 136 136 ILE N N 136 124.123 124.123 123.817 0.306 19852 9771 1 10 . 1 1 136 136 ILE C C 136 175.100 175.100 174.295 0.805 19852 9772 1 10 . 1 1 136 136 ILE CA C 136 68.634 68.634 61.255 7.379 19852 9773 1 10 . 1 1 136 136 ILE CB C 136 43.452 43.452 37.339 6.113 19852 9774 1 10 . 1 1 136 136 ILE H H 136 8.098 8.098 7.149 0.949 19852 9775 1 10 . 1 1 137 137 VAL N N 137 113.232 113.232 127.622 -14.390 19852 9776 1 10 . 1 1 137 137 VAL C C 137 176.859 176.859 176.673 0.186 19852 9777 1 10 . 1 1 137 137 VAL CA C 137 64.534 64.534 62.364 2.170 19852 9778 1 10 . 1 1 137 137 VAL CB C 137 34.082 34.082 32.248 1.834 19852 9779 1 10 . 1 1 137 137 VAL H H 137 7.711 7.711 8.363 -0.652 19852 9780 1 10 . 1 1 138 138 PHE N N 138 118.279 118.279 121.956 -3.677 19852 9781 1 10 . 1 1 138 138 PHE C C 138 175.393 175.393 176.173 -0.780 19852 9782 1 10 . 1 1 138 138 PHE CA C 138 58.092 58.092 61.662 -3.570 19852 9783 1 10 . 1 1 138 138 PHE CB C 138 39.353 39.353 38.903 0.450 19852 9784 1 10 . 1 1 138 138 PHE H H 138 8.317 8.317 8.002 0.315 19852 9785 1 10 . 1 1 139 139 HIS N N 139 107.654 107.654 115.542 -7.888 19852 9786 1 10 . 1 1 139 139 HIS C C 139 175.979 175.979 177.289 -1.310 19852 9787 1 10 . 1 1 139 139 HIS CA C 139 53.993 53.993 59.714 -5.721 19852 9788 1 10 . 1 1 139 139 HIS CB C 139 28.811 28.811 29.411 -0.600 19852 9789 1 10 . 1 1 139 139 HIS H H 139 8.016 8.016 7.879 0.137 19852 9790 1 10 . 1 1 140 140 ARG N N 140 117.084 117.084 119.939 -2.855 19852 9791 1 10 . 1 1 140 140 ARG C C 140 176.859 176.859 178.904 -2.045 19852 9792 1 10 . 1 1 140 140 ARG CA C 140 57.507 57.507 59.564 -2.057 19852 9793 1 10 . 1 1 140 140 ARG CB C 140 31.739 31.739 30.082 1.657 19852 9794 1 10 . 1 1 140 140 ARG H H 140 8.763 8.763 7.649 1.114 19852 9795 1 10 . 1 1 141 141 LYS N N 141 115.623 115.623 119.027 -3.404 19852 9796 1 10 . 1 1 141 141 LYS C C 141 173.635 173.635 177.915 -4.280 19852 9797 1 10 . 1 1 141 141 LYS CA C 141 58.092 58.092 58.686 -0.594 19852 9798 1 10 . 1 1 141 141 LYS CB C 141 33.496 33.496 32.214 1.282 19852 9799 1 10 . 1 1 141 141 LYS H H 141 7.449 7.449 7.707 -0.258 19852 9800 1 10 . 1 1 142 142 LYS N N 142 114.162 114.162 114.777 -0.615 19852 9801 1 10 . 1 1 142 142 LYS C C 142 175.979 175.979 175.910 0.069 19852 9802 1 10 . 1 1 142 142 LYS CA C 142 51.065 51.065 54.643 -3.578 19852 9803 1 10 . 1 1 142 142 LYS CB C 142 34.668 34.668 32.017 2.651 19852 9804 1 10 . 1 1 142 142 LYS H H 142 8.982 8.982 7.169 1.813 19852 9805 1 10 . 1 1 143 143 ASN N N 143 112.103 112.103 115.281 -3.178 19852 9806 1 10 . 1 1 143 143 ASN C C 143 175.100 175.100 174.093 1.007 19852 9807 1 10 . 1 1 143 143 ASN CA C 143 53.407 53.407 54.140 -0.733 19852 9808 1 10 . 1 1 143 143 ASN CB C 143 39.938 39.938 36.203 3.736 19852 9809 1 10 . 1 1 143 143 ASN H H 143 7.402 7.402 7.842 -0.440 19852 9810 1 10 . 1 1 144 144 LEU N N 144 118.810 118.810 117.559 1.251 19852 9811 1 10 . 1 1 144 144 LEU CA C 144 53.993 53.993 53.587 0.406 19852 9812 1 10 . 1 1 144 144 LEU CB C 144 42.866 42.866 43.947 -1.081 19852 9813 1 10 . 1 1 144 144 LEU H H 144 7.793 7.793 7.971 -0.178 19852 9814 1 10 . 1 1 145 145 GLN N N 145 119.607 119.607 117.684 1.923 19852 9815 1 10 . 1 1 145 145 GLN C C 145 176.859 176.859 174.166 2.693 19852 9816 1 10 . 1 1 145 145 GLN CA C 145 55.164 55.164 53.350 1.814 19852 9817 1 10 . 1 1 145 145 GLN CB C 145 29.983 29.983 30.230 -0.247 19852 9818 1 10 . 1 1 145 145 GLN H H 145 7.014 7.014 7.493 -0.479 19852 9819 1 10 . 1 1 146 146 TYR N N 146 119.275 119.275 124.434 -5.159 19852 9820 1 10 . 1 1 146 146 TYR C C 146 174.807 174.807 174.204 0.603 19852 9821 1 10 . 1 1 146 146 TYR CA C 146 62.777 62.777 55.821 6.956 19852 9822 1 10 . 1 1 146 146 TYR CB C 146 41.109 41.109 39.940 1.169 19852 9823 1 10 . 1 1 146 146 TYR H H 146 9.350 9.350 8.161 1.189 19852 9824 1 10 . 1 1 147 147 TYR N N 147 123.658 123.658 125.458 -1.800 19852 9825 1 10 . 1 1 147 147 TYR C C 147 177.738 177.738 173.428 4.310 19852 9826 1 10 . 1 1 147 147 TYR CA C 147 58.092 58.092 56.352 1.740 19852 9827 1 10 . 1 1 147 147 TYR CB C 147 39.938 39.938 41.926 -1.988 19852 9828 1 10 . 1 1 147 147 TYR H H 147 8.340 8.340 8.098 0.242 19852 9829 1 10 . 1 1 148 148 ASP N N 148 121.267 121.267 123.680 -2.413 19852 9830 1 10 . 1 1 148 148 ASP C C 148 176.859 176.859 175.383 1.476 19852 9831 1 10 . 1 1 148 148 ASP CA C 148 54.579 54.579 54.675 -0.096 19852 9832 1 10 . 1 1 148 148 ASP CB C 148 41.109 41.109 41.612 -0.503 19852 9833 1 10 . 1 1 148 148 ASP H H 148 8.911 8.911 8.342 0.569 19852 9834 1 10 . 1 1 149 149 ILE N N 149 119.607 119.607 118.738 0.869 19852 9835 1 10 . 1 1 149 149 ILE C C 149 174.807 174.807 174.316 0.491 19852 9836 1 10 . 1 1 149 149 ILE CA C 149 61.020 61.020 59.437 1.583 19852 9837 1 10 . 1 1 149 149 ILE CB C 149 39.353 39.353 42.372 -3.019 19852 9838 1 10 . 1 1 149 149 ILE H H 149 8.712 8.712 8.617 0.095 19852 9839 1 10 . 1 1 150 150 SER N N 150 117.349 117.349 118.326 -0.977 19852 9840 1 10 . 1 1 150 150 SER C C 150 175.686 175.686 174.204 1.482 19852 9841 1 10 . 1 1 150 150 SER CA C 150 60.435 60.435 56.583 3.852 19852 9842 1 10 . 1 1 150 150 SER CB C 150 62.192 62.192 66.210 -4.018 19852 9843 1 10 . 1 1 150 150 SER H H 150 8.454 8.454 8.598 -0.144 19852 9844 1 10 . 1 1 151 151 ALA N N 151 131.162 131.162 130.091 1.071 19852 9845 1 10 . 1 1 151 151 ALA C C 151 160.742 160.742 179.357 -18.615 19852 9846 1 10 . 1 1 151 151 ALA CA C 151 53.993 53.993 55.238 -1.245 19852 9847 1 10 . 1 1 151 151 ALA CB C 151 22.369 22.369 18.739 3.630 19852 9848 1 10 . 1 1 151 151 ALA H H 151 10.640 10.640 8.994 1.646 19852 9849 1 10 . 1 1 152 152 LYS N N 152 121.400 121.400 118.366 3.034 19852 9850 1 10 . 1 1 152 152 LYS C C 152 174.221 174.221 177.976 -3.755 19852 9851 1 10 . 1 1 152 152 LYS CA C 152 59.849 59.849 59.521 0.328 19852 9852 1 10 . 1 1 152 152 LYS CB C 152 34.668 34.668 32.387 2.281 19852 9853 1 10 . 1 1 152 152 LYS H H 152 9.099 9.099 8.718 0.381 19852 9854 1 10 . 1 1 153 153 SER N N 153 115.212 115.212 111.168 4.044 19852 9855 1 10 . 1 1 153 153 SER C C 153 177.152 177.152 174.397 2.755 19852 9856 1 10 . 1 1 153 153 SER CA C 153 62.192 62.192 58.254 3.938 19852 9857 1 10 . 1 1 153 153 SER CB C 153 66.291 66.291 63.919 2.373 19852 9858 1 10 . 1 1 153 153 SER H H 153 8.935 8.935 7.885 1.050 19852 9859 1 10 . 1 1 154 154 ASN N N 154 119.341 119.341 116.155 3.186 19852 9860 1 10 . 1 1 154 154 ASN C C 154 175.979 175.979 174.018 1.961 19852 9861 1 10 . 1 1 154 154 ASN CA C 154 49.894 49.894 54.714 -4.820 19852 9862 1 10 . 1 1 154 154 ASN CB C 154 39.353 39.353 36.727 2.626 19852 9863 1 10 . 1 1 154 154 ASN H H 154 7.488 7.488 7.885 -0.397 19852 9864 1 10 . 1 1 155 155 TYR N N 155 113.498 113.498 123.410 -9.912 19852 9865 1 10 . 1 1 155 155 TYR C C 155 173.928 173.928 175.242 -1.314 19852 9866 1 10 . 1 1 155 155 TYR CA C 155 56.336 56.336 59.687 -3.351 19852 9867 1 10 . 1 1 155 155 TYR CB C 155 37.596 37.596 38.899 -1.303 19852 9868 1 10 . 1 1 155 155 TYR H H 155 6.486 6.486 8.139 -1.653 19852 9869 1 10 . 1 1 156 156 ASN N N 156 122.396 122.396 123.380 -0.984 19852 9870 1 10 . 1 1 156 156 ASN C C 156 175.979 175.979 174.461 1.518 19852 9871 1 10 . 1 1 156 156 ASN CA C 156 51.651 51.651 54.223 -2.572 19852 9872 1 10 . 1 1 156 156 ASN CB C 156 38.767 38.767 36.201 2.566 19852 9873 1 10 . 1 1 156 156 ASN H H 156 8.352 8.352 8.770 -0.418 19852 9874 1 10 . 1 1 157 157 PHE N N 157 123.459 123.459 118.831 4.628 19852 9875 1 10 . 1 1 157 157 PHE C C 157 174.221 174.221 176.821 -2.600 19852 9876 1 10 . 1 1 157 157 PHE CA C 157 57.507 57.507 61.122 -3.615 19852 9877 1 10 . 1 1 157 157 PHE CB C 157 39.353 39.353 39.588 -0.235 19852 9878 1 10 . 1 1 157 157 PHE H H 157 7.429 7.429 7.508 -0.079 19852 9879 1 10 . 1 1 158 158 GLU N N 158 112.568 112.568 118.827 -6.259 19852 9880 1 10 . 1 1 158 158 GLU C C 158 176.566 176.566 178.362 -1.796 19852 9881 1 10 . 1 1 158 158 GLU CA C 158 72.147 72.147 59.740 12.406 19852 9882 1 10 . 1 1 158 158 GLU CB C 158 27.640 27.640 29.171 -1.531 19852 9883 1 10 . 1 1 158 158 GLU H H 158 7.495 7.495 8.946 -1.451 19852 9884 1 10 . 1 1 159 159 LYS N N 159 113.232 113.232 118.627 -5.395 19852 9885 1 10 . 1 1 159 159 LYS C C 159 176.566 176.566 175.932 0.634 19852 9886 1 10 . 1 1 159 159 LYS CA C 159 53.993 53.993 60.678 -6.684 19852 9887 1 10 . 1 1 159 159 LYS CB C 159 33.496 33.496 30.150 3.346 19852 9888 1 10 . 1 1 159 159 LYS H H 159 6.862 6.862 8.279 -1.417 19852 9889 1 10 . 1 1 160 160 PRO C C 160 176.273 176.273 178.476 -2.203 19852 9890 1 10 . 1 1 160 160 PRO CA C 160 64.258 64.258 65.531 -1.273 19852 9891 1 10 . 1 1 160 160 PRO CB C 160 32.318 32.318 31.028 1.290 19852 9892 1 10 . 1 1 161 161 PHE N N 161 120.271 120.271 115.630 4.641 19852 9893 1 10 . 1 1 161 161 PHE C C 161 175.100 175.100 177.504 -2.404 19852 9894 1 10 . 1 1 161 161 PHE CA C 161 56.336 56.336 61.790 -5.454 19852 9895 1 10 . 1 1 161 161 PHE CB C 161 39.353 39.353 37.677 1.676 19852 9896 1 10 . 1 1 161 161 PHE H H 161 8.074 8.074 7.108 0.966 19852 9897 1 10 . 1 1 162 162 LEU N N 162 110.177 110.177 120.198 -10.021 19852 9898 1 10 . 1 1 162 162 LEU C C 162 176.273 176.273 177.953 -1.680 19852 9899 1 10 . 1 1 162 162 LEU CA C 162 55.750 55.750 58.018 -2.268 19852 9900 1 10 . 1 1 162 162 LEU CB C 162 44.037 44.037 41.020 3.017 19852 9901 1 10 . 1 1 162 162 LEU H H 162 7.527 7.527 7.987 -0.460 19852 9902 1 10 . 1 1 163 163 TRP N N 163 123.525 123.525 120.776 2.749 19852 9903 1 10 . 1 1 163 163 TRP C C 163 177.152 177.152 178.026 -0.874 19852 9904 1 10 . 1 1 163 163 TRP CA C 163 61.606 61.606 62.374 -0.768 19852 9905 1 10 . 1 1 163 163 TRP CB C 163 28.811 28.811 29.490 -0.679 19852 9906 1 10 . 1 1 163 163 TRP H H 163 7.476 7.476 7.861 -0.385 19852 9907 1 10 . 1 1 164 164 LEU N N 164 119.740 119.740 119.075 0.665 19852 9908 1 10 . 1 1 164 164 LEU C C 164 175.686 175.686 178.930 -3.244 19852 9909 1 10 . 1 1 164 164 LEU CA C 164 61.020 61.020 57.841 3.179 19852 9910 1 10 . 1 1 164 164 LEU CB C 164 45.794 45.794 41.360 4.434 19852 9911 1 10 . 1 1 164 164 LEU H H 164 9.412 9.412 8.039 1.373 19852 9912 1 10 . 1 1 165 165 ALA N N 165 118.013 118.013 121.513 -3.500 19852 9913 1 10 . 1 1 165 165 ALA C C 165 165.723 165.723 179.613 -13.890 19852 9914 1 10 . 1 1 165 165 ALA CA C 165 52.236 52.236 55.342 -3.106 19852 9915 1 10 . 1 1 165 165 ALA CB C 165 21.784 21.784 18.290 3.494 19852 9916 1 10 . 1 1 165 165 ALA H H 165 7.707 7.707 8.448 -0.741 19852 9917 1 10 . 1 1 166 166 ARG N N 166 122.994 122.994 118.300 4.694 19852 9918 1 10 . 1 1 166 166 ARG C C 166 175.979 175.979 178.864 -2.885 19852 9919 1 10 . 1 1 166 166 ARG CA C 166 49.308 49.308 59.097 -9.789 19852 9920 1 10 . 1 1 166 166 ARG CB C 166 29.397 29.397 30.139 -0.742 19852 9921 1 10 . 1 1 166 166 ARG H H 166 8.692 8.692 8.107 0.585 19852 9922 1 10 . 1 1 167 167 LYS N N 167 112.568 112.568 120.116 -7.548 19852 9923 1 10 . 1 1 167 167 LYS C C 167 176.273 176.273 179.174 -2.901 19852 9924 1 10 . 1 1 167 167 LYS CA C 167 58.092 58.092 58.412 -0.320 19852 9925 1 10 . 1 1 167 167 LYS CB C 167 34.668 34.668 31.387 3.281 19852 9926 1 10 . 1 1 167 167 LYS H H 167 6.819 6.819 7.457 -0.638 19852 9927 1 10 . 1 1 168 168 LEU N N 168 114.959 114.959 119.568 -4.609 19852 9928 1 10 . 1 1 168 168 LEU C C 168 177.738 177.738 178.971 -1.233 19852 9929 1 10 . 1 1 168 168 LEU CA C 168 56.921 56.921 57.593 -0.672 19852 9930 1 10 . 1 1 168 168 LEU CB C 168 41.695 41.695 41.591 0.104 19852 9931 1 10 . 1 1 168 168 LEU H H 168 7.269 7.269 7.818 -0.549 19852 9932 1 10 . 1 1 169 169 ILE N N 169 124.986 124.986 117.210 7.776 19852 9933 1 10 . 1 1 169 169 ILE C C 169 171.877 171.877 177.072 -5.195 19852 9934 1 10 . 1 1 169 169 ILE CA C 169 68.048 68.048 63.160 4.888 19852 9935 1 10 . 1 1 169 169 ILE CB C 169 39.353 39.353 38.597 0.756 19852 9936 1 10 . 1 1 169 169 ILE H H 169 8.915 8.915 7.994 0.921 19852 9937 1 10 . 1 1 170 170 GLY N N 170 113.099 113.099 106.784 6.315 19852 9938 1 10 . 1 1 170 170 GLY C C 170 162.496 162.496 173.920 -11.424 19852 9939 1 10 . 1 1 170 170 GLY CA C 170 44.037 44.037 44.869 -0.832 19852 9940 1 10 . 1 1 170 170 GLY H H 170 6.686 6.686 7.966 -1.280 19852 9941 1 10 . 1 1 171 171 ASP N N 171 113.232 113.232 121.470 -8.238 19852 9942 1 10 . 1 1 171 171 ASP C C 171 178.910 178.910 175.497 3.413 19852 9943 1 10 . 1 1 171 171 ASP CA C 171 50.479 50.479 50.527 -0.048 19852 9944 1 10 . 1 1 171 171 ASP CB C 171 41.109 41.109 41.937 -0.828 19852 9945 1 10 . 1 1 171 171 ASP H H 171 6.815 6.815 7.645 -0.830 19852 9946 1 10 . 1 1 172 172 PRO C C 172 176.566 176.566 176.765 -0.199 19852 9947 1 10 . 1 1 172 172 PRO CA C 172 63.965 63.965 63.796 0.169 19852 9948 1 10 . 1 1 172 172 PRO CB C 172 31.732 31.732 32.311 -0.579 19852 9949 1 10 . 1 1 173 173 ASN N N 173 109.779 109.779 116.604 -6.825 19852 9950 1 10 . 1 1 173 173 ASN C C 173 175.979 175.979 175.410 0.569 19852 9951 1 10 . 1 1 173 173 ASN CA C 173 54.579 54.579 53.422 1.157 19852 9952 1 10 . 1 1 173 173 ASN CB C 173 36.424 36.424 38.772 -2.348 19852 9953 1 10 . 1 1 173 173 ASN H H 173 8.016 8.016 8.420 -0.404 19852 9954 1 10 . 1 1 174 174 LEU N N 174 109.248 109.248 122.778 -13.530 19852 9955 1 10 . 1 1 174 174 LEU C C 174 176.566 176.566 175.503 1.063 19852 9956 1 10 . 1 1 174 174 LEU CA C 174 56.336 56.336 55.997 0.339 19852 9957 1 10 . 1 1 174 174 LEU CB C 174 44.037 44.037 42.726 1.311 19852 9958 1 10 . 1 1 174 174 LEU H H 174 7.871 7.871 7.177 0.694 19852 9959 1 10 . 1 1 175 175 GLU N N 175 125.185 125.185 124.872 0.313 19852 9960 1 10 . 1 1 175 175 GLU C C 175 177.445 177.445 174.668 2.777 19852 9961 1 10 . 1 1 175 175 GLU CA C 175 76.247 76.247 54.659 21.588 19852 9962 1 10 . 1 1 175 175 GLU CB C 175 28.811 28.811 33.936 -5.125 19852 9963 1 10 . 1 1 175 175 GLU H H 175 9.127 9.127 8.136 0.991 19852 9964 1 10 . 1 1 176 176 PHE N N 176 136.873 136.873 121.985 14.888 19852 9965 1 10 . 1 1 176 176 PHE C C 176 178.617 178.617 176.579 2.038 19852 9966 1 10 . 1 1 176 176 PHE CA C 176 59.264 59.264 55.709 3.555 19852 9967 1 10 . 1 1 176 176 PHE CB C 176 44.623 44.623 38.609 6.014 19852 9968 1 10 . 1 1 176 176 PHE H H 176 10.058 10.058 8.815 1.243 19852 9969 1 10 . 1 1 177 177 VAL N N 177 118.877 118.877 126.085 -7.208 19852 9970 1 10 . 1 1 177 177 VAL C C 177 177.445 177.445 175.995 1.450 19852 9971 1 10 . 1 1 177 177 VAL CA C 177 62.777 62.777 64.884 -2.107 19852 9972 1 10 . 1 1 177 177 VAL CB C 177 34.668 34.668 32.165 2.503 19852 9973 1 10 . 1 1 177 177 VAL H H 177 7.789 7.789 8.378 -0.589 19852 9974 1 10 . 1 1 178 178 ALA N N 178 128.904 128.904 120.513 8.391 19852 9975 1 10 . 1 1 178 178 ALA CA C 178 57.507 57.507 50.796 6.711 19852 9976 1 10 . 1 1 178 178 ALA CB C 178 19.441 19.441 21.404 -1.963 19852 9977 1 10 . 1 1 178 178 ALA H H 178 7.566 7.566 7.470 0.096 19852 9978 1 10 . 1 1 179 179 MET N N 179 120.736 120.736 122.802 -2.066 19852 9979 1 10 . 1 1 179 179 MET C C 179 176.859 176.859 174.626 2.233 19852 9980 1 10 . 1 1 179 179 MET CA C 179 56.336 56.336 52.525 3.811 19852 9981 1 10 . 1 1 179 179 MET CB C 179 34.668 34.668 33.509 1.159 19852 9982 1 10 . 1 1 179 179 MET H H 179 7.930 7.930 8.515 -0.585 19852 9983 1 10 . 1 1 180 180 PRO C C 180 177.445 177.445 175.581 1.864 19852 9984 1 10 . 1 1 180 180 PRO CA C 180 64.844 64.844 62.374 2.470 19852 9985 1 10 . 1 1 180 180 PRO CB C 180 29.974 29.974 32.084 -2.110 19852 9986 1 10 . 1 1 181 181 ALA N N 181 128.439 128.439 123.304 5.135 19852 9987 1 10 . 1 1 181 181 ALA C C 181 176.273 176.273 176.018 0.255 19852 9988 1 10 . 1 1 181 181 ALA CA C 181 58.092 58.092 52.408 5.684 19852 9989 1 10 . 1 1 181 181 ALA CB C 181 21.198 21.198 19.156 2.042 19852 9990 1 10 . 1 1 181 181 ALA H H 181 8.673 8.673 8.145 0.528 19852 9991 1 10 . 1 1 182 182 LEU N N 182 122.130 122.130 123.357 -1.227 19852 9992 1 10 . 1 1 182 182 LEU C C 182 177.445 177.445 176.853 0.592 19852 9993 1 10 . 1 1 182 182 LEU CA C 182 55.164 55.164 52.496 2.667 19852 9994 1 10 . 1 1 182 182 LEU CB C 182 42.866 42.866 45.401 -2.535 19852 9995 1 10 . 1 1 182 182 LEU H H 182 8.821 8.821 8.053 0.768 19852 9996 1 10 . 1 1 183 183 ALA N N 183 108.783 108.783 125.542 -16.759 19852 9997 1 10 . 1 1 183 183 ALA C C 183 160.742 160.742 175.509 -14.767 19852 9998 1 10 . 1 1 183 183 ALA CA C 183 51.651 51.651 50.683 0.968 19852 9999 1 10 . 1 1 183 183 ALA CB C 183 18.856 18.856 17.998 0.858 19852 10000 1 10 . 1 1 183 183 ALA H H 183 7.621 7.621 8.357 -0.736 19852 10001 1 10 . 1 1 184 184 PRO C C 184 177.152 177.152 175.068 2.084 19852 10002 1 10 . 1 1 184 184 PRO CA C 184 64.258 64.258 62.033 2.225 19852 10003 1 10 . 1 1 184 184 PRO CB C 184 29.681 29.681 31.605 -1.924 19852 10004 1 10 . 1 1 185 185 PRO C C 185 175.686 175.686 176.962 -1.276 19852 10005 1 10 . 1 1 185 185 PRO CA C 185 63.379 63.379 63.062 0.317 19852 10006 1 10 . 1 1 185 185 PRO CB C 185 35.248 35.248 32.376 2.872 19852 10007 1 10 . 1 1 186 186 GLU N N 186 104.931 104.931 124.078 -19.147 19852 10008 1 10 . 1 1 186 186 GLU C C 186 174.221 174.221 176.669 -2.448 19852 10009 1 10 . 1 1 186 186 GLU CA C 186 57.507 57.507 58.540 -1.033 19852 10010 1 10 . 1 1 186 186 GLU CB C 186 31.739 31.739 30.210 1.529 19852 10011 1 10 . 1 1 186 186 GLU H H 186 8.673 8.673 8.702 -0.029 19852 10012 1 10 . 1 1 187 187 VAL N N 187 124.455 124.455 112.128 12.327 19852 10013 1 10 . 1 1 187 187 VAL C C 187 178.910 178.910 174.059 4.851 19852 10014 1 10 . 1 1 187 187 VAL CA C 187 63.363 63.363 60.506 2.857 19852 10015 1 10 . 1 1 187 187 VAL CB C 187 34.082 34.082 34.763 -0.681 19852 10016 1 10 . 1 1 187 187 VAL H H 187 8.622 8.622 7.477 1.145 19852 10017 1 10 . 1 1 188 188 VAL N N 188 128.572 128.572 121.306 7.266 19852 10018 1 10 . 1 1 188 188 VAL C C 188 178.324 178.324 175.319 3.005 19852 10019 1 10 . 1 1 188 188 VAL CA C 188 68.634 68.634 61.593 7.042 19852 10020 1 10 . 1 1 188 188 VAL CB C 188 31.154 31.154 33.407 -2.253 19852 10021 1 10 . 1 1 188 188 VAL H H 188 8.497 8.497 8.228 0.269 19852 10022 1 10 . 1 1 189 189 MET N N 189 122.795 122.795 127.605 -4.810 19852 10023 1 10 . 1 1 189 189 MET C C 189 177.445 177.445 175.547 1.898 19852 10024 1 10 . 1 1 189 189 MET CA C 189 55.164 55.164 54.569 0.595 19852 10025 1 10 . 1 1 189 189 MET CB C 189 35.253 35.253 33.031 2.223 19852 10026 1 10 . 1 1 189 189 MET H H 189 6.991 6.991 8.412 -1.421 19852 10027 1 10 . 1 1 190 190 ASP N N 190 114.959 114.959 128.764 -13.805 19852 10028 1 10 . 1 1 190 190 ASP C C 190 175.686 175.686 175.733 -0.047 19852 10029 1 10 . 1 1 190 190 ASP CA C 190 51.065 51.065 52.264 -1.199 19852 10030 1 10 . 1 1 190 190 ASP CB C 190 41.695 41.695 42.231 -0.536 19852 10031 1 10 . 1 1 190 190 ASP H H 190 7.210 7.210 8.537 -1.327 19852 10032 1 10 . 1 1 191 191 PRO C C 191 176.566 176.566 177.981 -1.415 19852 10033 1 10 . 1 1 191 191 PRO CA C 191 63.965 63.965 65.127 -1.162 19852 10034 1 10 . 1 1 191 191 PRO CB C 191 31.146 31.146 31.728 -0.582 19852 10035 1 10 . 1 1 192 192 ALA N N 192 109.513 109.513 119.527 -10.014 19852 10036 1 10 . 1 1 192 192 ALA CA C 192 53.993 53.993 54.786 -0.793 19852 10037 1 10 . 1 1 192 192 ALA CB C 192 19.441 19.441 18.171 1.270 19852 10038 1 10 . 1 1 192 192 ALA H H 192 7.394 7.394 7.751 -0.357 19852 10039 1 10 . 1 1 193 193 LEU N N 193 119.009 119.009 119.331 -0.322 19852 10040 1 10 . 1 1 193 193 LEU C C 193 175.979 175.979 178.712 -2.733 19852 10041 1 10 . 1 1 193 193 LEU CA C 193 56.336 56.336 57.230 -0.894 19852 10042 1 10 . 1 1 193 193 LEU CB C 193 42.866 42.866 41.383 1.483 19852 10043 1 10 . 1 1 193 193 LEU H H 193 8.340 8.340 7.958 0.382 19852 10044 1 10 . 1 1 194 194 ALA N N 194 121.666 121.666 121.264 0.402 19852 10045 1 10 . 1 1 194 194 ALA C C 194 166.896 166.896 179.084 -12.188 19852 10046 1 10 . 1 1 194 194 ALA CA C 194 55.164 55.164 54.952 0.212 19852 10047 1 10 . 1 1 194 194 ALA CB C 194 16.513 16.513 17.971 -1.458 19852 10048 1 10 . 1 1 194 194 ALA H H 194 8.176 8.176 8.074 0.102 19852 10049 1 10 . 1 1 195 195 ALA N N 195 119.541 119.541 121.184 -1.643 19852 10050 1 10 . 1 1 195 195 ALA C C 195 173.928 173.928 179.523 -5.595 19852 10051 1 10 . 1 1 195 195 ALA CA C 195 57.507 57.507 54.687 2.820 19852 10052 1 10 . 1 1 195 195 ALA CB C 195 19.441 19.441 18.328 1.113 19852 10053 1 10 . 1 1 195 195 ALA H H 195 8.364 8.364 8.134 0.230 19852 10054 1 10 . 1 1 196 196 GLN N N 196 107.322 107.322 119.094 -11.772 19852 10055 1 10 . 1 1 196 196 GLN C C 196 176.273 176.273 178.313 -2.040 19852 10056 1 10 . 1 1 196 196 GLN CA C 196 56.921 56.921 58.562 -1.641 19852 10057 1 10 . 1 1 196 196 GLN CB C 196 29.983 29.983 28.221 1.762 19852 10058 1 10 . 1 1 196 196 GLN H H 196 7.910 7.910 8.003 -0.093 19852 10059 1 10 . 1 1 197 197 TYR N N 197 115.623 115.623 119.174 -3.551 19852 10060 1 10 . 1 1 197 197 TYR CA C 197 67.462 67.462 59.006 8.456 19852 10061 1 10 . 1 1 197 197 TYR CB C 197 41.695 41.695 37.760 3.936 19852 10062 1 10 . 1 1 197 197 TYR H H 197 8.196 8.196 8.242 -0.046 19852 10063 1 10 . 1 1 198 198 GLU N N 198 110.244 110.244 120.394 -10.150 19852 10064 1 10 . 1 1 198 198 GLU C C 198 176.273 176.273 179.006 -2.733 19852 10065 1 10 . 1 1 198 198 GLU CA C 198 53.407 53.407 59.326 -5.919 19852 10066 1 10 . 1 1 198 198 GLU CB C 198 30.568 30.568 29.677 0.891 19852 10067 1 10 . 1 1 198 198 GLU H H 198 7.523 7.523 8.253 -0.730 19852 10068 1 10 . 1 1 199 199 HIS N N 199 118.611 118.611 120.223 -1.612 19852 10069 1 10 . 1 1 199 199 HIS C C 199 175.686 175.686 177.265 -1.579 19852 10070 1 10 . 1 1 199 199 HIS CA C 199 56.921 56.921 59.469 -2.548 19852 10071 1 10 . 1 1 199 199 HIS CB C 199 28.226 28.226 29.812 -1.586 19852 10072 1 10 . 1 1 199 199 HIS H H 199 8.512 8.512 8.338 0.174 19852 10073 1 10 . 1 1 200 200 ASP N N 200 120.736 120.736 119.794 0.942 19852 10074 1 10 . 1 1 200 200 ASP C C 200 176.273 176.273 178.626 -2.353 19852 10075 1 10 . 1 1 200 200 ASP CA C 200 56.921 56.921 57.336 -0.415 19852 10076 1 10 . 1 1 200 200 ASP CB C 200 40.524 40.524 40.518 0.006 19852 10077 1 10 . 1 1 200 200 ASP H H 200 7.519 7.519 8.478 -0.959 19852 10078 1 10 . 1 1 201 201 LEU N N 201 116.353 116.353 121.314 -4.961 19852 10079 1 10 . 1 1 201 201 LEU C C 201 178.910 178.910 178.679 0.231 19852 10080 1 10 . 1 1 201 201 LEU CA C 201 61.606 61.606 57.650 3.956 19852 10081 1 10 . 1 1 201 201 LEU CB C 201 41.109 41.109 41.963 -0.854 19852 10082 1 10 . 1 1 201 201 LEU H H 201 7.722 7.722 7.972 -0.250 19852 10083 1 10 . 1 1 202 202 GLU N N 202 118.080 118.080 118.836 -0.756 19852 10084 1 10 . 1 1 202 202 GLU C C 202 176.566 176.566 179.091 -2.525 19852 10085 1 10 . 1 1 202 202 GLU CA C 202 56.921 56.921 59.638 -2.717 19852 10086 1 10 . 1 1 202 202 GLU CB C 202 30.568 30.568 29.674 0.894 19852 10087 1 10 . 1 1 202 202 GLU H H 202 8.857 8.857 7.967 0.890 19852 10088 1 10 . 1 1 203 203 VAL N N 203 129.369 129.369 119.136 10.233 19852 10089 1 10 . 1 1 203 203 VAL C C 203 178.617 178.617 177.960 0.657 19852 10090 1 10 . 1 1 203 203 VAL CA C 203 64.534 64.534 66.554 -2.020 19852 10091 1 10 . 1 1 203 203 VAL CB C 203 27.640 27.640 31.600 -3.960 19852 10092 1 10 . 1 1 203 203 VAL H H 203 9.283 9.283 8.047 1.236 19852 10093 1 10 . 1 1 204 204 ALA N N 204 109.580 109.580 118.514 -8.934 19852 10094 1 10 . 1 1 204 204 ALA C C 204 176.859 176.859 178.995 -2.136 19852 10095 1 10 . 1 1 204 204 ALA CA C 204 54.579 54.579 52.615 1.964 19852 10096 1 10 . 1 1 204 204 ALA CB C 204 18.270 18.270 18.474 -0.204 19852 10097 1 10 . 1 1 204 204 ALA H H 204 8.528 8.528 7.548 0.980 19852 10098 1 10 . 1 1 205 205 GLN N N 205 115.756 115.756 119.593 -3.837 19852 10099 1 10 . 1 1 205 205 GLN C C 205 175.979 175.979 177.760 -1.781 19852 10100 1 10 . 1 1 205 205 GLN CA C 205 48.137 48.137 58.601 -10.464 19852 10101 1 10 . 1 1 205 205 GLN CB C 205 25.883 25.883 28.798 -2.915 19852 10102 1 10 . 1 1 205 205 GLN H H 205 7.973 7.973 7.560 0.413 19852 10103 1 10 . 1 1 206 206 THR N N 206 120.271 120.271 111.026 9.245 19852 10104 1 10 . 1 1 206 206 THR C C 206 176.273 176.273 174.045 2.228 19852 10105 1 10 . 1 1 206 206 THR CA C 206 67.462 67.462 61.794 5.668 19852 10106 1 10 . 1 1 206 206 THR CB C 206 70.390 70.390 66.879 3.511 19852 10107 1 10 . 1 1 206 206 THR H H 206 7.585 7.585 7.579 0.006 19852 10108 1 10 . 1 1 207 207 THR N N 207 111.970 111.970 110.606 1.364 19852 10109 1 10 . 1 1 207 207 THR C C 207 176.566 176.566 173.919 2.647 19852 10110 1 10 . 1 1 207 207 THR CA C 207 64.534 64.534 63.363 1.171 19852 10111 1 10 . 1 1 207 207 THR CB C 207 72.733 72.733 66.510 6.223 19852 10112 1 10 . 1 1 207 207 THR H H 207 7.468 7.468 7.923 -0.455 19852 10113 1 10 . 1 1 208 208 ALA N N 208 115.623 115.623 122.187 -6.564 19852 10114 1 10 . 1 1 208 208 ALA C C 208 168.947 168.947 177.165 -8.218 19852 10115 1 10 . 1 1 208 208 ALA CA C 208 55.164 55.164 51.065 4.099 19852 10116 1 10 . 1 1 208 208 ALA CB C 208 22.369 22.369 20.466 1.903 19852 10117 1 10 . 1 1 208 208 ALA H H 208 7.390 7.390 7.724 -0.334 19852 10118 1 10 . 1 1 209 209 LEU N N 209 117.814 117.814 118.212 -0.398 19852 10119 1 10 . 1 1 209 209 LEU C C 209 176.273 176.273 175.461 0.812 19852 10120 1 10 . 1 1 209 209 LEU CA C 209 58.678 58.678 56.901 1.777 19852 10121 1 10 . 1 1 209 209 LEU CB C 209 46.380 46.380 39.962 6.418 19852 10122 1 10 . 1 1 209 209 LEU H H 209 7.652 7.652 8.283 -0.631 19852 10123 1 10 . 1 1 210 210 PRO C C 210 176.566 176.566 177.029 -0.463 19852 10124 1 10 . 1 1 210 210 PRO CA C 210 63.086 63.086 63.014 0.072 19852 10125 1 10 . 1 1 210 210 PRO CB C 210 31.146 31.146 32.006 -0.860 19852 10126 1 10 . 1 1 211 211 ASP N N 211 121.134 121.134 124.791 -3.657 19852 10127 1 10 . 1 1 211 211 ASP C C 211 176.273 176.273 178.537 -2.264 19852 10128 1 10 . 1 1 211 211 ASP CA C 211 52.236 52.236 57.147 -4.911 19852 10129 1 10 . 1 1 211 211 ASP CB C 211 42.281 42.281 40.724 1.557 19852 10130 1 10 . 1 1 211 211 ASP H H 211 9.510 9.510 8.684 0.826 19852 10131 1 10 . 1 1 212 212 GLU N N 212 131.162 131.162 118.814 12.348 19852 10132 1 10 . 1 1 212 212 GLU C C 212 176.273 176.273 178.831 -2.558 19852 10133 1 10 . 1 1 212 212 GLU CA C 212 55.164 55.164 58.938 -3.774 19852 10134 1 10 . 1 1 212 212 GLU CB C 212 30.568 30.568 29.535 1.033 19852 10135 1 10 . 1 1 212 212 GLU H H 212 8.399 8.399 8.161 0.238 19852 10136 1 10 . 1 1 213 213 ASP N N 213 115.822 115.822 118.986 -3.164 19852 10137 1 10 . 1 1 213 213 ASP C C 213 174.807 174.807 178.819 -4.012 19852 10138 1 10 . 1 1 213 213 ASP CA C 213 51.065 51.065 56.746 -5.681 19852 10139 1 10 . 1 1 213 213 ASP CB C 213 41.109 41.109 40.424 0.685 19852 10140 1 10 . 1 1 213 213 ASP H H 213 10.699 10.699 7.660 3.039 19852 10141 1 10 . 1 1 214 214 ASP N N 214 112.369 112.369 118.420 -6.051 19852 10142 1 10 . 1 1 214 214 ASP C C 214 178.910 178.910 177.123 1.787 19852 10143 1 10 . 1 1 214 214 ASP CA C 214 54.579 54.579 56.084 -1.505 19852 10144 1 10 . 1 1 214 214 ASP CB C 214 39.353 39.353 41.063 -1.710 19852 10145 1 10 . 1 1 214 214 ASP H H 214 7.464 7.464 7.858 -0.394 19852 10146 1 10 . 1 1 215 215 ASP N N 215 127.244 127.244 118.687 8.557 19852 10147 1 10 . 1 1 215 215 ASP C C 215 176.859 176.859 177.184 -0.325 19852 10148 1 10 . 1 1 215 215 ASP CA C 215 54.579 54.579 56.542 -1.963 19852 10149 1 10 . 1 1 215 215 ASP CB C 215 40.524 40.524 41.307 -0.783 19852 10150 1 10 . 1 1 215 215 ASP H H 215 8.301 8.301 7.981 0.320 19852 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 201 8.080 1.027 8.034 19852 2 1 1 "Average Difference" HA 28 0.404 -0.318 0.254 19852 3 1 1 "Average Difference" C 207 3.642 0.354 3.634 19852 4 1 1 "Average Difference" CA 210 4.441 -0.141 4.449 19852 5 1 1 "Average Difference" CB 196 3.364 -0.322 3.357 19852 6 1 1 "Average Difference" HN 201 1.047 0.077 1.047 19852 7 1 2 "Average Difference" N 201 7.986 1.061 7.935 19852 8 1 2 "Average Difference" HA 28 0.411 -0.328 0.253 19852 9 1 2 "Average Difference" C 207 3.676 0.355 3.668 19852 10 1 2 "Average Difference" CA 210 4.450 -0.179 4.457 19852 11 1 2 "Average Difference" CB 196 3.365 -0.318 3.359 19852 12 1 2 "Average Difference" HN 201 1.042 0.081 1.041 19852 13 1 3 "Average Difference" N 201 8.022 1.109 7.964 19852 14 1 3 "Average Difference" HA 28 0.391 -0.304 0.250 19852 15 1 3 "Average Difference" C 207 3.672 0.371 3.662 19852 16 1 3 "Average Difference" CA 210 4.414 -0.122 4.423 19852 17 1 3 "Average Difference" CB 196 3.362 -0.342 3.353 19852 18 1 3 "Average Difference" HN 201 1.026 0.084 1.025 19852 19 1 4 "Average Difference" N 201 8.110 1.044 8.063 19852 20 1 4 "Average Difference" HA 28 0.394 -0.311 0.245 19852 21 1 4 "Average Difference" C 207 3.678 0.390 3.666 19852 22 1 4 "Average Difference" CA 210 4.450 -0.138 4.459 19852 23 1 4 "Average Difference" CB 196 3.378 -0.315 3.372 19852 24 1 4 "Average Difference" HN 201 1.038 0.084 1.038 19852 25 1 5 "Average Difference" N 201 8.030 1.068 7.979 19852 26 1 5 "Average Difference" HA 28 0.376 -0.288 0.247 19852 27 1 5 "Average Difference" C 207 3.665 0.348 3.658 19852 28 1 5 "Average Difference" CA 210 4.421 -0.183 4.428 19852 29 1 5 "Average Difference" CB 196 3.368 -0.303 3.363 19852 30 1 5 "Average Difference" HN 201 1.048 0.074 1.048 19852 31 1 6 "Average Difference" N 201 8.195 1.161 8.133 19852 32 1 6 "Average Difference" HA 28 0.386 -0.293 0.255 19852 33 1 6 "Average Difference" C 207 3.673 0.353 3.665 19852 34 1 6 "Average Difference" CA 210 4.489 -0.118 4.498 19852 35 1 6 "Average Difference" CB 196 3.349 -0.322 3.342 19852 36 1 6 "Average Difference" HN 201 1.044 0.090 1.043 19852 37 1 7 "Average Difference" N 201 8.188 1.167 8.125 19852 38 1 7 "Average Difference" HA 28 0.373 -0.279 0.252 19852 39 1 7 "Average Difference" C 207 3.675 0.342 3.667 19852 40 1 7 "Average Difference" CA 210 4.460 -0.119 4.469 19852 41 1 7 "Average Difference" CB 196 3.340 -0.313 3.333 19852 42 1 7 "Average Difference" HN 201 1.048 0.079 1.047 19852 43 1 8 "Average Difference" N 201 8.191 1.151 8.130 19852 44 1 8 "Average Difference" HA 28 0.400 -0.311 0.256 19852 45 1 8 "Average Difference" C 207 3.674 0.357 3.666 19852 46 1 8 "Average Difference" CA 210 4.458 -0.129 4.467 19852 47 1 8 "Average Difference" CB 196 3.351 -0.325 3.344 19852 48 1 8 "Average Difference" HN 201 1.050 0.083 1.049 19852 49 1 9 "Average Difference" N 201 8.142 1.174 8.077 19852 50 1 9 "Average Difference" HA 28 0.389 -0.287 0.268 19852 51 1 9 "Average Difference" C 207 3.671 0.370 3.661 19852 52 1 9 "Average Difference" CA 210 4.448 -0.072 4.458 19852 53 1 9 "Average Difference" CB 196 3.342 -0.309 3.336 19852 54 1 9 "Average Difference" HN 201 1.064 0.095 1.063 19852 55 1 10 "Average Difference" N 201 8.161 1.192 8.094 19852 56 1 10 "Average Difference" HA 28 0.379 -0.280 0.261 19852 57 1 10 "Average Difference" C 207 3.654 0.339 3.647 19852 58 1 10 "Average Difference" CA 210 4.445 -0.145 4.453 19852 59 1 10 "Average Difference" CB 196 3.336 -0.311 3.330 19852 60 1 10 "Average Difference" HN 201 1.049 0.069 1.049 19852 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 19852 _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 ALA N N 2 131.228 131.228 123.918 7.310 19852 2 1 . 1 1 2 2 ALA C C 2 187.031 187.031 177.360 9.671 19852 3 1 . 1 1 2 2 ALA CA C 2 53.407 53.407 53.083 0.324 19852 4 1 . 1 1 2 2 ALA CB C 2 20.027 20.027 18.493 1.534 19852 5 1 . 1 1 2 2 ALA H H 2 10.644 10.644 8.347 2.297 19852 6 1 . 1 1 3 3 ALA N N 3 124.521 124.521 121.869 2.652 19852 7 1 . 1 1 3 3 ALA C C 3 176.566 176.566 176.716 -0.150 19852 8 1 . 1 1 3 3 ALA CA C 3 49.894 49.894 51.297 -1.403 19852 9 1 . 1 1 3 3 ALA CB C 3 18.270 18.270 20.147 -1.877 19852 10 1 . 1 1 3 3 ALA H H 3 8.669 8.669 7.766 0.903 19852 11 1 . 1 1 4 4 GLN N N 4 118.080 118.080 120.931 -2.851 19852 12 1 . 1 1 4 4 GLN C C 4 176.273 176.273 177.411 -1.138 19852 13 1 . 1 1 4 4 GLN CA C 4 54.579 54.579 56.039 -1.460 19852 14 1 . 1 1 4 4 GLN CB C 4 27.054 27.054 29.269 -2.215 19852 15 1 . 1 1 4 4 GLN H H 4 8.919 8.919 8.444 0.475 19852 16 1 . 1 1 5 5 GLY N N 5 121.002 121.002 109.626 11.376 19852 17 1 . 1 1 5 5 GLY C C 5 181.877 181.877 174.436 7.441 19852 18 1 . 1 1 5 5 GLY CA C 5 45.794 45.794 45.010 0.783 19852 19 1 . 1 1 5 5 GLY H H 5 8.082 8.082 8.715 -0.633 19852 20 1 . 1 1 6 6 GLU N N 6 129.435 129.435 121.758 7.677 19852 21 1 . 1 1 6 6 GLU C C 6 176.566 176.566 174.911 1.655 19852 22 1 . 1 1 6 6 GLU CA C 6 56.336 56.336 54.635 1.701 19852 23 1 . 1 1 6 6 GLU CB C 6 28.811 28.811 29.878 -1.067 19852 24 1 . 1 1 6 6 GLU H H 6 9.267 9.267 8.206 1.061 19852 25 1 . 1 1 7 7 PRO C C 7 176.566 176.566 176.225 0.341 19852 26 1 . 1 1 7 7 PRO CA C 7 63.672 63.672 62.836 0.836 19852 27 1 . 1 1 7 7 PRO CB C 7 31.146 31.146 32.250 -1.104 19852 28 1 . 1 1 8 8 GLN N N 8 112.502 112.502 120.307 -7.805 19852 29 1 . 1 1 8 8 GLN C C 8 177.445 177.445 176.211 1.234 19852 30 1 . 1 1 8 8 GLN CA C 8 50.479 50.479 55.688 -5.209 19852 31 1 . 1 1 8 8 GLN CB C 8 28.811 28.811 28.942 -0.131 19852 32 1 . 1 1 8 8 GLN H H 8 6.220 6.220 8.377 -2.157 19852 33 1 . 1 1 9 9 VAL N N 9 117.416 117.416 125.921 -8.505 19852 34 1 . 1 1 9 9 VAL C C 9 178.324 178.324 174.308 4.016 19852 35 1 . 1 1 9 9 VAL CA C 9 63.363 63.363 62.182 1.181 19852 36 1 . 1 1 9 9 VAL CB C 9 34.668 34.668 31.689 2.979 19852 37 1 . 1 1 9 9 VAL H H 9 6.561 6.561 8.638 -2.077 19852 38 1 . 1 1 10 10 GLN N N 10 113.896 113.896 124.649 -10.753 19852 39 1 . 1 1 10 10 GLN C C 10 176.273 176.273 174.691 1.582 19852 40 1 . 1 1 10 10 GLN CA C 10 55.164 55.164 53.860 1.304 19852 41 1 . 1 1 10 10 GLN CB C 10 28.226 28.226 32.454 -4.228 19852 42 1 . 1 1 10 10 GLN H H 10 7.847 7.847 8.126 -0.279 19852 43 1 . 1 1 11 11 PHE N N 11 118.744 118.744 122.113 -3.369 19852 44 1 . 1 1 11 11 PHE C C 11 176.566 176.566 174.676 1.890 19852 45 1 . 1 1 11 11 PHE CA C 11 59.849 59.849 56.512 3.337 19852 46 1 . 1 1 11 11 PHE CB C 11 41.109 41.109 43.017 -1.908 19852 47 1 . 1 1 11 11 PHE H H 11 8.262 8.262 8.973 -0.711 19852 48 1 . 1 1 12 12 LYS N N 12 124.123 124.123 122.782 1.341 19852 49 1 . 1 1 12 12 LYS C C 12 177.152 177.152 175.136 2.016 19852 50 1 . 1 1 12 12 LYS CA C 12 57.507 57.507 55.980 1.527 19852 51 1 . 1 1 12 12 LYS CB C 12 28.811 28.811 33.330 -4.519 19852 52 1 . 1 1 12 12 LYS H H 12 8.415 8.415 9.038 -0.623 19852 53 1 . 1 1 13 13 LEU N N 13 112.103 112.103 128.463 -16.360 19852 54 1 . 1 1 13 13 LEU C C 13 177.738 177.738 174.620 3.118 19852 55 1 . 1 1 13 13 LEU CA C 13 54.579 54.579 53.382 1.197 19852 56 1 . 1 1 13 13 LEU CB C 13 42.866 42.866 45.754 -2.888 19852 57 1 . 1 1 13 13 LEU H H 13 6.905 6.905 9.114 -2.208 19852 58 1 . 1 1 14 14 VAL N N 14 127.310 127.310 127.195 0.115 19852 59 1 . 1 1 14 14 VAL C C 14 175.393 175.393 173.933 1.460 19852 60 1 . 1 1 14 14 VAL CA C 14 70.976 70.976 61.883 9.093 19852 61 1 . 1 1 14 14 VAL CB C 14 28.811 28.811 32.992 -4.181 19852 62 1 . 1 1 14 14 VAL H H 14 8.305 8.305 8.803 -0.498 19852 63 1 . 1 1 15 15 LEU N N 15 121.400 121.400 131.051 -9.651 19852 64 1 . 1 1 15 15 LEU C C 15 173.342 173.342 175.196 -1.854 19852 65 1 . 1 1 15 15 LEU CA C 15 56.336 56.336 53.311 3.025 19852 66 1 . 1 1 15 15 LEU CB C 15 41.695 41.695 44.413 -2.718 19852 67 1 . 1 1 15 15 LEU H H 15 7.785 7.785 8.374 -0.589 19852 68 1 . 1 1 16 16 VAL N N 16 121.267 121.267 120.298 0.969 19852 69 1 . 1 1 16 16 VAL C C 16 178.324 178.324 174.549 3.775 19852 70 1 . 1 1 16 16 VAL CA C 16 63.363 63.363 58.675 4.688 19852 71 1 . 1 1 16 16 VAL CB C 16 35.839 35.839 35.380 0.459 19852 72 1 . 1 1 16 16 VAL H H 16 8.935 8.935 8.762 0.173 19852 73 1 . 1 1 17 17 GLY N N 17 127.908 127.908 107.207 20.701 19852 74 1 . 1 1 17 17 GLY C C 17 174.514 174.514 172.489 2.025 19852 75 1 . 1 1 17 17 GLY CA C 17 42.281 42.281 44.876 -2.595 19852 76 1 . 1 1 17 17 GLY H H 17 9.682 9.682 7.178 2.504 19852 77 1 . 1 1 18 18 ASP N N 18 119.673 119.673 120.509 -0.836 19852 78 1 . 1 1 18 18 ASP C C 18 176.859 176.859 177.086 -0.227 19852 79 1 . 1 1 18 18 ASP CA C 18 55.750 55.750 54.500 1.250 19852 80 1 . 1 1 18 18 ASP CB C 18 39.938 39.938 42.238 -2.300 19852 81 1 . 1 1 18 18 ASP H H 18 7.879 7.879 8.405 -0.526 19852 82 1 . 1 1 19 19 GLY N N 19 120.670 120.670 107.656 13.014 19852 83 1 . 1 1 19 19 GLY C C 19 178.324 178.324 175.104 3.220 19852 84 1 . 1 1 19 19 GLY CA C 19 42.281 42.281 45.492 -3.211 19852 85 1 . 1 1 19 19 GLY H H 19 8.825 8.825 8.672 0.153 19852 86 1 . 1 1 20 20 GLY N N 20 129.369 129.369 112.623 16.746 19852 87 1 . 1 1 20 20 GLY C C 20 174.221 174.221 175.928 -1.707 19852 88 1 . 1 1 20 20 GLY CA C 20 41.695 41.695 45.571 -3.876 19852 89 1 . 1 1 20 20 GLY H H 20 8.477 8.477 8.669 -0.192 19852 90 1 . 1 1 21 21 THR N N 21 114.560 114.560 116.165 -1.605 19852 91 1 . 1 1 21 21 THR C C 21 178.617 178.617 175.182 3.435 19852 92 1 . 1 1 21 21 THR CA C 21 62.192 62.192 65.624 -3.432 19852 93 1 . 1 1 21 21 THR CB C 21 70.390 70.390 69.221 1.169 19852 94 1 . 1 1 21 21 THR H H 21 8.196 8.196 7.773 0.423 19852 95 1 . 1 1 22 22 GLY N N 22 112.369 112.369 107.253 5.116 19852 96 1 . 1 1 22 22 GLY C C 22 184.807 184.807 175.266 9.541 19852 97 1 . 1 1 22 22 GLY CA C 22 45.209 45.209 45.051 0.158 19852 98 1 . 1 1 22 22 GLY H H 22 6.772 6.772 8.309 -1.537 19852 99 1 . 1 1 23 23 LYS N N 23 124.056 124.056 120.790 3.266 19852 100 1 . 1 1 23 23 LYS C C 23 176.566 176.566 178.003 -1.437 19852 101 1 . 1 1 23 23 LYS CA C 23 56.921 56.921 59.806 -2.885 19852 102 1 . 1 1 23 23 LYS CB C 23 35.839 35.839 32.256 3.583 19852 103 1 . 1 1 23 23 LYS H H 23 8.180 8.180 8.108 0.072 19852 104 1 . 1 1 24 24 THR N N 24 114.627 114.627 114.159 0.468 19852 105 1 . 1 1 24 24 THR C C 24 178.324 178.324 176.595 1.729 19852 106 1 . 1 1 24 24 THR CA C 24 62.192 62.192 67.469 -5.277 19852 107 1 . 1 1 24 24 THR CB C 24 71.562 71.562 67.922 3.640 19852 108 1 . 1 1 24 24 THR H H 24 8.469 8.469 8.374 0.095 19852 109 1 . 1 1 25 25 THR N N 25 110.377 110.377 118.295 -7.918 19852 110 1 . 1 1 25 25 THR C C 25 178.324 178.324 175.811 2.513 19852 111 1 . 1 1 25 25 THR CA C 25 64.534 64.534 67.186 -2.652 19852 112 1 . 1 1 25 25 THR CB C 25 71.562 71.562 68.452 3.110 19852 113 1 . 1 1 25 25 THR H H 25 8.415 8.415 8.109 0.306 19852 114 1 . 1 1 26 26 PHE N N 26 114.295 114.295 122.106 -7.811 19852 115 1 . 1 1 26 26 PHE C C 26 174.514 174.514 177.514 -3.000 19852 116 1 . 1 1 26 26 PHE CA C 26 53.407 53.407 61.459 -8.052 19852 117 1 . 1 1 26 26 PHE CB C 26 40.524 40.524 39.054 1.470 19852 118 1 . 1 1 26 26 PHE H H 26 7.707 7.707 8.213 -0.506 19852 119 1 . 1 1 27 27 VAL N N 27 123.525 123.525 120.285 3.240 19852 120 1 . 1 1 27 27 VAL C C 27 178.031 178.031 177.628 0.403 19852 121 1 . 1 1 27 27 VAL CA C 27 67.462 67.462 66.542 0.920 19852 122 1 . 1 1 27 27 VAL CB C 27 29.397 29.397 31.454 -2.057 19852 123 1 . 1 1 27 27 VAL H H 27 6.987 6.987 8.218 -1.231 19852 124 1 . 1 1 28 28 LYS N N 28 114.228 114.228 117.169 -2.941 19852 125 1 . 1 1 28 28 LYS C C 28 176.566 176.566 177.586 -1.020 19852 126 1 . 1 1 28 28 LYS CA C 28 58.092 58.092 57.978 0.114 19852 127 1 . 1 1 28 28 LYS CB C 28 34.082 34.082 31.766 2.316 19852 128 1 . 1 1 28 28 LYS H H 28 7.429 7.429 7.869 -0.440 19852 129 1 . 1 1 29 29 ARG N N 29 112.037 112.037 116.964 -4.927 19852 130 1 . 1 1 29 29 ARG C C 29 174.221 174.221 176.492 -2.271 19852 131 1 . 1 1 29 29 ARG CA C 29 72.147 72.147 58.350 13.797 19852 132 1 . 1 1 29 29 ARG CB C 29 37.596 37.596 30.207 7.389 19852 133 1 . 1 1 29 29 ARG H H 29 6.803 6.803 7.095 -0.292 19852 134 1 . 1 1 30 30 HIS N N 30 122.396 122.396 119.340 3.056 19852 135 1 . 1 1 30 30 HIS C C 30 172.170 172.170 176.093 -3.923 19852 136 1 . 1 1 30 30 HIS CA C 30 51.651 51.651 55.749 -4.098 19852 137 1 . 1 1 30 30 HIS CB C 30 30.568 30.568 29.996 0.572 19852 138 1 . 1 1 30 30 HIS H H 30 7.644 7.644 7.243 0.401 19852 139 1 . 1 1 31 31 LEU N N 31 110.377 110.377 127.889 -17.512 19852 140 1 . 1 1 31 31 LEU C C 31 178.031 178.031 178.386 -0.355 19852 141 1 . 1 1 31 31 LEU CA C 31 55.164 55.164 57.899 -2.735 19852 142 1 . 1 1 31 31 LEU CB C 31 42.281 42.281 41.705 0.576 19852 143 1 . 1 1 31 31 LEU H H 31 7.894 7.894 7.922 -0.028 19852 144 1 . 1 1 32 32 THR N N 32 118.213 118.213 114.255 3.958 19852 145 1 . 1 1 32 32 THR C C 32 178.910 178.910 176.516 2.394 19852 146 1 . 1 1 32 32 THR CA C 32 63.949 63.949 67.366 -3.417 19852 147 1 . 1 1 32 32 THR CB C 32 72.733 72.733 68.047 4.686 19852 148 1 . 1 1 32 32 THR H H 32 7.570 7.570 8.159 -0.589 19852 149 1 . 1 1 33 33 GLY N N 33 127.841 127.841 109.356 18.485 19852 150 1 . 1 1 33 33 GLY C C 33 161.914 161.914 175.731 -13.817 19852 151 1 . 1 1 33 33 GLY CA C 33 42.866 42.866 46.811 -3.944 19852 152 1 . 1 1 33 33 GLY H H 33 9.662 9.662 8.180 1.482 19852 153 1 . 1 1 34 34 GLU N N 34 122.263 122.263 122.953 -0.690 19852 154 1 . 1 1 34 34 GLU C C 34 176.859 176.859 179.614 -2.755 19852 155 1 . 1 1 34 34 GLU CA C 34 51.651 51.651 58.684 -7.033 19852 156 1 . 1 1 34 34 GLU CB C 34 29.397 29.397 29.593 -0.196 19852 157 1 . 1 1 34 34 GLU H H 34 7.140 7.140 7.844 -0.704 19852 158 1 . 1 1 35 35 PHE N N 35 111.838 111.838 118.563 -6.725 19852 159 1 . 1 1 35 35 PHE C C 35 174.221 174.221 177.717 -3.496 19852 160 1 . 1 1 35 35 PHE CA C 35 49.308 49.308 59.905 -10.597 19852 161 1 . 1 1 35 35 PHE CB C 35 41.695 41.695 38.777 2.918 19852 162 1 . 1 1 35 35 PHE H H 35 6.772 6.772 7.990 -1.218 19852 163 1 . 1 1 36 36 GLU N N 36 124.388 124.388 116.299 8.088 19852 164 1 . 1 1 36 36 GLU C C 36 176.859 176.859 175.848 1.010 19852 165 1 . 1 1 36 36 GLU CA C 36 58.092 58.092 55.970 2.122 19852 166 1 . 1 1 36 36 GLU CB C 36 30.568 30.568 29.632 0.936 19852 167 1 . 1 1 36 36 GLU H H 36 7.734 7.734 8.136 -0.402 19852 168 1 . 1 1 37 37 LYS N N 37 118.810 118.810 119.798 -0.988 19852 169 1 . 1 1 37 37 LYS C C 37 172.756 172.756 176.440 -3.684 19852 170 1 . 1 1 37 37 LYS CA C 37 48.137 48.137 56.566 -8.429 19852 171 1 . 1 1 37 37 LYS CB C 37 37.010 37.010 32.753 4.257 19852 172 1 . 1 1 37 37 LYS H H 37 8.509 8.509 7.223 1.286 19852 173 1 . 1 1 38 38 LYS N N 38 108.052 108.052 124.404 -16.352 19852 174 1 . 1 1 38 38 LYS C C 38 176.273 176.273 174.636 1.637 19852 175 1 . 1 1 38 38 LYS CA C 38 59.849 59.849 54.669 5.180 19852 176 1 . 1 1 38 38 LYS CB C 38 34.668 34.668 35.209 -0.542 19852 177 1 . 1 1 38 38 LYS H H 38 7.715 7.715 8.519 -0.804 19852 178 1 . 1 1 39 39 TYR N N 39 108.650 108.650 126.000 -17.350 19852 179 1 . 1 1 39 39 TYR C C 39 175.686 175.686 175.382 0.304 19852 180 1 . 1 1 39 39 TYR CA C 39 61.020 61.020 57.085 3.935 19852 181 1 . 1 1 39 39 TYR CB C 39 36.424 36.424 39.732 -3.307 19852 182 1 . 1 1 39 39 TYR H H 39 7.362 7.362 8.676 -1.314 19852 183 1 . 1 1 40 40 VAL N N 40 117.947 117.947 128.647 -10.700 19852 184 1 . 1 1 40 40 VAL C C 40 175.393 175.393 174.972 0.421 19852 185 1 . 1 1 40 40 VAL CA C 40 61.020 61.020 60.805 0.215 19852 186 1 . 1 1 40 40 VAL CB C 40 31.154 31.154 31.947 -0.793 19852 187 1 . 1 1 40 40 VAL H H 40 8.442 8.442 8.517 -0.075 19852 188 1 . 1 1 42 42 THR N N 42 117.150 117.150 112.299 4.851 19852 189 1 . 1 1 42 42 THR C C 42 178.910 178.910 176.237 2.673 19852 190 1 . 1 1 42 42 THR CA C 42 60.435 60.435 64.767 -4.333 19852 191 1 . 1 1 42 42 THR CB C 42 70.390 70.390 68.329 2.061 19852 192 1 . 1 1 42 42 THR H H 42 8.192 8.192 8.077 0.115 19852 193 1 . 1 1 43 43 LEU N N 43 119.209 119.209 120.746 -1.537 19852 194 1 . 1 1 43 43 LEU C C 43 174.807 174.807 177.366 -2.559 19852 195 1 . 1 1 43 43 LEU CA C 43 57.507 57.507 55.259 2.248 19852 196 1 . 1 1 43 43 LEU CB C 43 42.866 42.866 42.062 0.804 19852 197 1 . 1 1 43 43 LEU H H 43 9.260 9.260 7.819 1.441 19852 198 1 . 1 1 44 44 GLY N N 44 114.361 114.361 106.706 7.655 19852 199 1 . 1 1 44 44 GLY C C 44 178.910 178.910 173.266 5.644 19852 200 1 . 1 1 44 44 GLY CA C 44 54.579 54.579 45.582 8.997 19852 201 1 . 1 1 44 44 GLY H H 44 6.979 6.979 8.009 -1.030 19852 202 1 . 1 1 45 45 VAL N N 45 110.244 110.244 117.475 -7.231 19852 203 1 . 1 1 45 45 VAL C C 45 174.807 174.807 173.885 0.922 19852 204 1 . 1 1 45 45 VAL CA C 45 63.363 63.363 60.583 2.780 19852 205 1 . 1 1 45 45 VAL CB C 45 17.099 17.099 35.358 -18.259 19852 206 1 . 1 1 45 45 VAL H H 45 8.309 8.309 7.164 1.145 19852 207 1 . 1 1 46 46 GLU N N 46 130.365 130.365 125.620 4.745 19852 208 1 . 1 1 46 46 GLU C C 46 176.859 176.859 175.297 1.562 19852 209 1 . 1 1 46 46 GLU CA C 46 55.164 55.164 54.970 0.194 19852 210 1 . 1 1 46 46 GLU CB C 46 32.325 32.325 32.051 0.274 19852 211 1 . 1 1 46 46 GLU H H 46 9.741 9.741 9.150 0.591 19852 212 1 . 1 1 47 47 VAL N N 47 115.623 115.623 126.839 -11.216 19852 213 1 . 1 1 47 47 VAL C C 47 178.324 178.324 174.978 3.346 19852 214 1 . 1 1 47 47 VAL CA C 47 63.363 63.363 61.381 1.982 19852 215 1 . 1 1 47 47 VAL CB C 47 32.911 32.911 32.422 0.490 19852 216 1 . 1 1 47 47 VAL H H 47 7.339 7.339 8.976 -1.637 19852 217 1 . 1 1 48 48 HIS N N 48 129.236 129.236 127.402 1.834 19852 218 1 . 1 1 48 48 HIS C C 48 169.240 169.240 173.028 -3.788 19852 219 1 . 1 1 48 48 HIS CA C 48 49.894 49.894 53.395 -3.500 19852 220 1 . 1 1 48 48 HIS CB C 48 27.640 27.640 32.148 -4.508 19852 221 1 . 1 1 48 48 HIS H H 48 10.390 10.390 9.438 0.952 19852 222 1 . 1 1 49 49 PRO C C 49 176.273 176.273 175.594 0.679 19852 223 1 . 1 1 49 49 PRO CA C 49 62.500 62.500 62.840 -0.340 19852 224 1 . 1 1 49 49 PRO CB C 49 29.974 29.974 31.532 -1.558 19852 225 1 . 1 1 50 50 LEU N N 50 119.408 119.408 129.050 -9.642 19852 226 1 . 1 1 50 50 LEU C C 50 177.445 177.445 175.251 2.194 19852 227 1 . 1 1 50 50 LEU CA C 50 59.264 59.264 54.030 5.234 19852 228 1 . 1 1 50 50 LEU CB C 50 42.281 42.281 42.687 -0.407 19852 229 1 . 1 1 50 50 LEU H H 50 7.492 7.492 8.910 -1.418 19852 230 1 . 1 1 51 51 VAL N N 51 117.947 117.947 124.557 -6.610 19852 231 1 . 1 1 51 51 VAL C C 51 174.514 174.514 174.935 -0.421 19852 232 1 . 1 1 51 51 VAL CA C 51 64.534 64.534 61.875 2.658 19852 233 1 . 1 1 51 51 VAL CB C 51 37.010 37.010 32.679 4.331 19852 234 1 . 1 1 51 51 VAL H H 51 7.715 7.715 7.977 -0.262 19852 235 1 . 1 1 52 52 PHE N N 52 124.853 124.853 125.945 -1.092 19852 236 1 . 1 1 52 52 PHE C C 52 175.100 175.100 173.976 1.124 19852 237 1 . 1 1 52 52 PHE CA C 52 56.336 56.336 56.169 0.167 19852 238 1 . 1 1 52 52 PHE CB C 52 39.938 39.938 42.113 -2.175 19852 239 1 . 1 1 52 52 PHE H H 52 8.935 8.935 8.980 -0.045 19852 240 1 . 1 1 53 53 HIS N N 53 120.603 120.603 123.627 -3.024 19852 241 1 . 1 1 53 53 HIS C C 53 170.119 170.119 174.646 -4.527 19852 242 1 . 1 1 53 53 HIS CA C 53 55.164 55.164 55.155 0.009 19852 243 1 . 1 1 53 53 HIS CB C 53 30.568 30.568 31.120 -0.552 19852 244 1 . 1 1 53 53 HIS H H 53 8.356 8.356 9.015 -0.659 19852 245 1 . 1 1 54 54 THR N N 54 112.634 112.634 117.226 -4.592 19852 246 1 . 1 1 54 54 THR C C 54 178.910 178.910 176.028 2.881 19852 247 1 . 1 1 54 54 THR CA C 54 63.363 63.363 59.177 4.186 19852 248 1 . 1 1 54 54 THR CB C 54 72.733 72.733 71.809 0.924 19852 249 1 . 1 1 54 54 THR H H 54 7.574 7.574 8.248 -0.674 19852 250 1 . 1 1 55 55 ASN N N 55 131.095 131.095 119.530 11.565 19852 251 1 . 1 1 55 55 ASN C C 55 176.273 176.273 176.872 -0.599 19852 252 1 . 1 1 55 55 ASN CA C 55 51.065 51.065 55.615 -4.550 19852 253 1 . 1 1 55 55 ASN CB C 55 37.010 37.010 38.257 -1.247 19852 254 1 . 1 1 55 55 ASN H H 55 10.187 10.187 8.618 1.569 19852 255 1 . 1 1 56 56 ARG N N 56 122.064 122.064 118.774 3.290 19852 256 1 . 1 1 56 56 ARG C C 56 175.100 175.100 176.131 -1.031 19852 257 1 . 1 1 56 56 ARG CA C 56 61.606 61.606 56.661 4.945 19852 258 1 . 1 1 56 56 ARG CB C 56 32.911 32.911 31.006 1.905 19852 259 1 . 1 1 56 56 ARG H H 56 7.433 7.433 7.737 -0.304 19852 260 1 . 1 1 57 57 GLY N N 57 127.709 127.709 105.719 21.990 19852 261 1 . 1 1 57 57 GLY C C 57 175.979 175.979 171.789 4.190 19852 262 1 . 1 1 57 57 GLY CA C 57 42.281 42.281 44.331 -2.050 19852 263 1 . 1 1 57 57 GLY H H 57 9.373 9.373 7.539 1.834 19852 264 1 . 1 1 58 58 PRO C C 58 177.152 177.152 175.789 1.363 19852 265 1 . 1 1 58 58 PRO CA C 58 65.137 65.137 63.118 2.019 19852 266 1 . 1 1 58 58 PRO CB C 58 29.095 29.095 32.237 -3.142 19852 267 1 . 1 1 59 59 ILE N N 59 128.638 128.638 122.711 5.927 19852 268 1 . 1 1 59 59 ILE C C 59 175.979 175.979 174.757 1.222 19852 269 1 . 1 1 59 59 ILE CA C 59 65.120 65.120 60.114 5.005 19852 270 1 . 1 1 59 59 ILE CB C 59 40.524 40.524 41.495 -0.971 19852 271 1 . 1 1 59 59 ILE H H 59 8.794 8.794 8.992 -0.198 19852 272 1 . 1 1 60 60 LYS N N 60 115.756 115.756 125.371 -9.615 19852 273 1 . 1 1 60 60 LYS C C 60 175.979 175.979 175.478 0.501 19852 274 1 . 1 1 60 60 LYS CA C 60 56.921 56.921 54.599 2.322 19852 275 1 . 1 1 60 60 LYS CB C 60 32.325 32.325 34.820 -2.495 19852 276 1 . 1 1 60 60 LYS H H 60 7.253 7.253 8.797 -1.544 19852 277 1 . 1 1 61 61 PHE N N 61 120.670 120.670 123.822 -3.152 19852 278 1 . 1 1 61 61 PHE C C 61 175.393 175.393 175.238 0.155 19852 279 1 . 1 1 61 61 PHE CA C 61 57.507 57.507 56.838 0.669 19852 280 1 . 1 1 61 61 PHE CB C 61 41.109 41.109 41.103 0.005 19852 281 1 . 1 1 61 61 PHE H H 61 7.515 7.515 9.456 -1.941 19852 282 1 . 1 1 62 62 ASN N N 62 119.076 119.076 124.625 -5.549 19852 283 1 . 1 1 62 62 ASN C C 62 175.100 175.100 174.657 0.443 19852 284 1 . 1 1 62 62 ASN CA C 62 53.407 53.407 53.287 0.120 19852 285 1 . 1 1 62 62 ASN CB C 62 38.767 38.767 39.077 -0.310 19852 286 1 . 1 1 62 62 ASN H H 62 7.558 7.558 9.383 -1.824 19852 287 1 . 1 1 63 63 VAL N N 63 106.127 106.127 125.425 -19.298 19852 288 1 . 1 1 63 63 VAL C C 63 175.100 175.100 175.701 -0.601 19852 289 1 . 1 1 63 63 VAL CA C 63 61.020 61.020 62.761 -1.741 19852 290 1 . 1 1 63 63 VAL CB C 63 31.154 31.154 32.489 -1.335 19852 291 1 . 1 1 63 63 VAL H H 63 8.113 8.113 9.135 -1.022 19852 292 1 . 1 1 64 64 TRP N N 64 129.302 129.302 130.112 -0.810 19852 293 1 . 1 1 64 64 TRP C C 64 177.152 177.152 175.573 1.579 19852 294 1 . 1 1 64 64 TRP CA C 64 59.264 59.264 55.496 3.768 19852 295 1 . 1 1 64 64 TRP CB C 64 29.397 29.397 29.625 -0.228 19852 296 1 . 1 1 64 64 TRP H H 64 8.970 8.970 9.604 -0.634 19852 297 1 . 1 1 65 65 ASP N N 65 119.607 119.607 123.729 -4.122 19852 298 1 . 1 1 65 65 ASP C C 65 174.514 174.514 176.007 -1.493 19852 299 1 . 1 1 65 65 ASP CA C 65 55.164 55.164 52.673 2.491 19852 300 1 . 1 1 65 65 ASP CB C 65 41.109 41.109 45.142 -4.033 19852 301 1 . 1 1 65 65 ASP H H 65 8.638 8.638 9.288 -0.650 19852 302 1 . 1 1 66 66 THR N N 66 122.463 122.463 115.502 6.961 19852 303 1 . 1 1 66 66 THR C C 66 178.617 178.617 174.668 3.949 19852 304 1 . 1 1 66 66 THR CA C 66 68.048 68.048 61.561 6.487 19852 305 1 . 1 1 66 66 THR CB C 66 71.562 71.562 69.919 1.643 19852 306 1 . 1 1 66 66 THR H H 66 8.293 8.293 8.495 -0.202 19852 307 1 . 1 1 67 67 ALA N N 67 104.865 104.865 123.911 -19.046 19852 308 1 . 1 1 67 67 ALA C C 67 177.738 177.738 177.759 -0.021 19852 309 1 . 1 1 67 67 ALA CA C 67 48.722 48.722 51.647 -2.925 19852 310 1 . 1 1 67 67 ALA CB C 67 14.171 14.171 18.900 -4.729 19852 311 1 . 1 1 67 67 ALA H H 67 8.657 8.657 8.232 0.425 19852 312 1 . 1 1 68 68 GLY N N 68 115.357 115.357 107.462 7.895 19852 313 1 . 1 1 68 68 GLY C C 68 189.533 189.533 176.080 13.453 19852 314 1 . 1 1 68 68 GLY CA C 68 45.209 45.209 45.317 -0.108 19852 315 1 . 1 1 68 68 GLY H H 68 10.969 10.969 7.685 3.284 19852 316 1 . 1 1 69 69 GLN N N 69 110.111 110.111 119.519 -9.409 19852 317 1 . 1 1 69 69 GLN C C 69 176.859 176.859 177.016 -0.157 19852 318 1 . 1 1 69 69 GLN CA C 69 55.750 55.750 58.723 -2.973 19852 319 1 . 1 1 69 69 GLN CB C 69 27.640 27.640 28.114 -0.475 19852 320 1 . 1 1 69 69 GLN H H 69 8.344 8.344 8.604 -0.259 19852 321 1 . 1 1 70 70 GLU N N 70 114.826 114.826 117.337 -2.511 19852 322 1 . 1 1 70 70 GLU C C 70 176.273 176.273 177.749 -1.475 19852 323 1 . 1 1 70 70 GLU CA C 70 57.507 57.507 58.509 -1.002 19852 324 1 . 1 1 70 70 GLU CB C 70 28.811 28.811 29.288 -0.477 19852 325 1 . 1 1 70 70 GLU H H 70 9.651 9.651 8.508 1.143 19852 326 1 . 1 1 71 71 LYS N N 71 116.685 116.685 117.630 -0.945 19852 327 1 . 1 1 71 71 LYS C C 71 175.979 175.979 178.557 -2.578 19852 328 1 . 1 1 71 71 LYS CA C 71 48.722 48.722 58.408 -9.686 19852 329 1 . 1 1 71 71 LYS CB C 71 37.010 37.010 32.632 4.378 19852 330 1 . 1 1 71 71 LYS H H 71 8.712 8.712 7.599 1.113 19852 331 1 . 1 1 72 72 PHE N N 72 114.959 114.959 115.749 -0.790 19852 332 1 . 1 1 72 72 PHE C C 72 175.686 175.686 176.245 -0.559 19852 333 1 . 1 1 72 72 PHE CA C 72 56.336 56.336 58.167 -1.831 19852 334 1 . 1 1 72 72 PHE CB C 72 36.424 36.424 39.783 -3.359 19852 335 1 . 1 1 72 72 PHE H H 72 7.965 7.965 7.434 0.531 19852 336 1 . 1 1 73 73 GLY N N 73 117.084 117.084 106.376 10.708 19852 337 1 . 1 1 73 73 GLY C C 73 168.068 168.068 172.422 -4.353 19852 338 1 . 1 1 73 73 GLY CA C 73 42.281 42.281 45.017 -2.736 19852 339 1 . 1 1 73 73 GLY H H 73 7.609 7.609 7.620 -0.011 19852 340 1 . 1 1 74 74 GLY N N 74 120.537 120.537 105.974 14.562 19852 341 1 . 1 1 74 74 GLY C C 74 174.514 174.514 174.237 0.277 19852 342 1 . 1 1 74 74 GLY CA C 74 44.037 44.037 44.212 -0.175 19852 343 1 . 1 1 74 74 GLY H H 74 9.326 9.326 8.320 1.006 19852 344 1 . 1 1 75 75 LEU N N 75 127.177 127.177 120.638 6.539 19852 345 1 . 1 1 75 75 LEU C C 75 178.617 178.617 177.483 1.134 19852 346 1 . 1 1 75 75 LEU CA C 75 53.407 53.407 54.078 -0.671 19852 347 1 . 1 1 75 75 LEU CB C 75 42.281 42.281 43.278 -0.997 19852 348 1 . 1 1 75 75 LEU H H 75 7.628 7.628 8.696 -1.068 19852 349 1 . 1 1 76 76 ARG N N 76 116.486 116.486 122.510 -6.024 19852 350 1 . 1 1 76 76 ARG C C 76 176.859 176.859 177.069 -0.210 19852 351 1 . 1 1 76 76 ARG CA C 76 59.264 59.264 56.374 2.890 19852 352 1 . 1 1 76 76 ARG CB C 76 31.154 31.154 31.078 0.076 19852 353 1 . 1 1 76 76 ARG H H 76 7.143 7.143 8.590 -1.447 19852 354 1 . 1 1 77 77 ASP N N 77 129.236 129.236 122.402 6.834 19852 355 1 . 1 1 77 77 ASP C C 77 177.152 177.152 178.534 -1.382 19852 356 1 . 1 1 77 77 ASP CA C 77 52.822 52.822 57.937 -5.115 19852 357 1 . 1 1 77 77 ASP CB C 77 41.695 41.695 40.598 1.097 19852 358 1 . 1 1 77 77 ASP H H 77 8.947 8.947 8.935 0.012 19852 359 1 . 1 1 78 78 GLY N N 78 127.244 127.244 107.516 19.728 19852 360 1 . 1 1 78 78 GLY C C 78 173.928 173.928 175.229 -1.301 19852 361 1 . 1 1 78 78 GLY CA C 78 44.623 44.623 46.988 -2.365 19852 362 1 . 1 1 78 78 GLY H H 78 8.219 8.219 8.586 -0.367 19852 363 1 . 1 1 79 79 TYR N N 79 120.537 120.537 121.209 -0.672 19852 364 1 . 1 1 79 79 TYR C C 79 176.273 176.273 176.549 -0.276 19852 365 1 . 1 1 79 79 TYR CA C 79 58.678 58.678 60.888 -2.210 19852 366 1 . 1 1 79 79 TYR CB C 79 40.524 40.524 38.685 1.839 19852 367 1 . 1 1 79 79 TYR H H 79 8.563 8.563 7.538 1.025 19852 368 1 . 1 1 80 80 TYR N N 80 115.822 115.822 115.306 0.516 19852 369 1 . 1 1 80 80 TYR C C 80 175.979 175.979 176.581 -0.602 19852 370 1 . 1 1 80 80 TYR CA C 80 58.092 58.092 60.461 -2.368 19852 371 1 . 1 1 80 80 TYR CB C 80 38.181 38.181 38.537 -0.356 19852 372 1 . 1 1 80 80 TYR H H 80 7.194 7.194 7.391 -0.197 19852 373 1 . 1 1 81 81 ILE N N 81 120.072 120.072 118.531 1.541 19852 374 1 . 1 1 81 81 ILE C C 81 177.445 177.445 175.846 1.599 19852 375 1 . 1 1 81 81 ILE CA C 81 67.462 67.462 63.678 3.784 19852 376 1 . 1 1 81 81 ILE CB C 81 41.109 41.109 37.927 3.182 19852 377 1 . 1 1 81 81 ILE H H 81 8.837 8.837 7.958 0.879 19852 378 1 . 1 1 82 82 GLN N N 82 109.580 109.580 118.876 -9.296 19852 379 1 . 1 1 82 82 GLN C C 82 177.152 177.152 174.591 2.561 19852 380 1 . 1 1 82 82 GLN CA C 82 56.336 56.336 56.453 -0.117 19852 381 1 . 1 1 82 82 GLN CB C 82 24.126 24.126 26.360 -2.234 19852 382 1 . 1 1 82 82 GLN H H 82 8.493 8.493 8.725 -0.232 19852 383 1 . 1 1 83 83 ALA N N 83 109.713 109.713 120.924 -11.211 19852 384 1 . 1 1 83 83 ALA C C 83 175.979 175.979 177.067 -1.088 19852 385 1 . 1 1 83 83 ALA CA C 83 54.579 54.579 52.831 1.748 19852 386 1 . 1 1 83 83 ALA CB C 83 16.513 16.513 19.337 -2.824 19852 387 1 . 1 1 83 83 ALA H H 83 6.306 6.306 7.398 -1.092 19852 388 1 . 1 1 84 84 GLN N N 84 131.380 131.380 122.933 8.447 19852 389 1 . 1 1 84 84 GLN C C 84 175.686 175.686 176.110 -0.424 19852 390 1 . 1 1 84 84 GLN CA C 84 51.065 51.065 57.028 -5.963 19852 391 1 . 1 1 84 84 GLN CB C 84 32.325 32.325 31.074 1.251 19852 392 1 . 1 1 84 84 GLN H H 84 11.169 11.169 8.574 2.595 19852 393 1 . 1 1 85 85 CYS N N 85 124.322 124.322 112.226 12.096 19852 394 1 . 1 1 85 85 CYS C C 85 173.049 173.049 172.712 0.337 19852 395 1 . 1 1 85 85 CYS CA C 85 57.507 57.507 55.963 1.544 19852 396 1 . 1 1 85 85 CYS CB C 85 35.253 35.253 31.813 3.440 19852 397 1 . 1 1 85 85 CYS H H 85 8.602 8.602 8.062 0.540 19852 398 1 . 1 1 86 86 ALA N N 86 114.295 114.295 121.866 -7.571 19852 399 1 . 1 1 86 86 ALA CA C 86 57.507 57.507 50.805 6.702 19852 400 1 . 1 1 86 86 ALA CB C 86 21.784 21.784 22.710 -0.926 19852 401 1 . 1 1 86 86 ALA H H 86 6.897 6.897 8.852 -1.955 19852 402 1 . 1 1 87 87 ILE N N 87 120.670 120.670 120.885 -0.215 19852 403 1 . 1 1 87 87 ILE C C 87 173.928 173.928 174.708 -0.780 19852 404 1 . 1 1 87 87 ILE CA C 87 61.020 61.020 59.910 1.110 19852 405 1 . 1 1 87 87 ILE CB C 87 39.938 39.938 41.266 -1.328 19852 406 1 . 1 1 87 87 ILE H H 87 8.282 8.282 8.640 -0.358 19852 407 1 . 1 1 88 88 ILE N N 88 120.205 120.205 127.191 -6.986 19852 408 1 . 1 1 88 88 ILE C C 88 173.635 173.635 175.116 -1.481 19852 409 1 . 1 1 88 88 ILE CA C 88 64.534 64.534 60.025 4.509 19852 410 1 . 1 1 88 88 ILE CB C 88 37.596 37.596 40.081 -2.486 19852 411 1 . 1 1 88 88 ILE H H 88 5.528 5.528 8.934 -3.406 19852 412 1 . 1 1 89 89 MET N N 89 119.209 119.209 126.070 -6.861 19852 413 1 . 1 1 89 89 MET C C 89 176.566 176.566 175.534 1.032 19852 414 1 . 1 1 89 89 MET CA C 89 56.921 56.921 54.194 2.727 19852 415 1 . 1 1 89 89 MET CB C 89 34.668 34.668 35.093 -0.425 19852 416 1 . 1 1 89 89 MET H H 89 8.164 8.164 8.871 -0.707 19852 417 1 . 1 1 90 90 PHE N N 90 121.134 121.134 118.785 2.349 19852 418 1 . 1 1 90 90 PHE C C 90 175.393 175.393 173.228 2.165 19852 419 1 . 1 1 90 90 PHE CA C 90 60.435 60.435 55.274 5.161 19852 420 1 . 1 1 90 90 PHE CB C 90 38.767 38.767 42.254 -3.487 19852 421 1 . 1 1 90 90 PHE H H 90 9.334 9.334 8.840 0.494 19852 422 1 . 1 1 91 91 ASP N N 91 125.185 125.185 120.750 4.435 19852 423 1 . 1 1 91 91 ASP C C 91 176.566 176.566 178.074 -1.508 19852 424 1 . 1 1 91 91 ASP CA C 91 52.822 52.822 52.125 0.697 19852 425 1 . 1 1 91 91 ASP CB C 91 39.938 39.938 43.043 -3.105 19852 426 1 . 1 1 91 91 ASP H H 91 9.056 9.056 8.743 0.313 19852 427 1 . 1 1 92 92 VAL N N 92 115.158 115.158 123.406 -8.248 19852 428 1 . 1 1 92 92 VAL C C 92 173.342 173.342 176.628 -3.286 19852 429 1 . 1 1 92 92 VAL CA C 92 64.534 64.534 64.937 -0.403 19852 430 1 . 1 1 92 92 VAL CB C 92 37.596 37.596 31.337 6.259 19852 431 1 . 1 1 92 92 VAL H H 92 7.738 7.738 8.606 -0.868 19852 432 1 . 1 1 93 93 THR N N 93 112.302 112.302 110.427 1.875 19852 433 1 . 1 1 93 93 THR C C 93 177.152 177.152 174.747 2.405 19852 434 1 . 1 1 93 93 THR CA C 93 64.534 64.534 63.180 1.354 19852 435 1 . 1 1 93 93 THR CB C 93 72.147 72.147 69.233 2.914 19852 436 1 . 1 1 93 93 THR H H 93 7.269 7.269 8.275 -1.006 19852 437 1 . 1 1 94 94 SER N N 94 122.263 122.263 116.672 5.591 19852 438 1 . 1 1 94 94 SER C C 94 163.965 163.965 174.821 -10.856 19852 439 1 . 1 1 94 94 SER CA C 94 59.849 59.849 55.971 3.878 19852 440 1 . 1 1 94 94 SER CB C 94 62.192 62.192 64.519 -2.327 19852 441 1 . 1 1 94 94 SER H H 94 7.628 7.628 7.829 -0.200 19852 442 1 . 1 1 95 95 ARG N N 95 113.099 113.099 127.759 -14.660 19852 443 1 . 1 1 95 95 ARG C C 95 176.273 176.273 177.842 -1.569 19852 444 1 . 1 1 95 95 ARG CA C 95 53.407 53.407 59.694 -6.287 19852 445 1 . 1 1 95 95 ARG CB C 95 31.154 31.154 29.994 1.160 19852 446 1 . 1 1 95 95 ARG H H 95 8.102 8.102 9.018 -0.916 19852 447 1 . 1 1 96 96 VAL N N 96 124.787 124.787 118.583 6.204 19852 448 1 . 1 1 96 96 VAL C C 96 178.031 178.031 177.625 0.406 19852 449 1 . 1 1 96 96 VAL CA C 96 68.634 68.634 66.546 2.088 19852 450 1 . 1 1 96 96 VAL CB C 96 24.126 24.126 31.274 -7.148 19852 451 1 . 1 1 96 96 VAL H H 96 9.146 9.146 8.158 0.988 19852 452 1 . 1 1 97 97 THR N N 97 111.970 111.970 114.522 -2.552 19852 453 1 . 1 1 97 97 THR C C 97 178.031 178.031 175.909 2.122 19852 454 1 . 1 1 97 97 THR CA C 97 63.949 63.949 65.970 -2.021 19852 455 1 . 1 1 97 97 THR CB C 97 70.390 70.390 68.916 1.474 19852 456 1 . 1 1 97 97 THR H H 97 7.984 7.984 7.626 0.358 19852 457 1 . 1 1 98 98 TYR N N 98 113.232 113.232 121.725 -8.493 19852 458 1 . 1 1 98 98 TYR C C 98 176.273 176.273 177.621 -1.348 19852 459 1 . 1 1 98 98 TYR H H 98 7.605 7.605 7.569 0.037 19852 460 1 . 1 1 99 99 LYS N N 99 121.998 121.998 118.632 3.366 19852 461 1 . 1 1 99 99 LYS C C 99 174.221 174.221 178.285 -4.064 19852 462 1 . 1 1 99 99 LYS CA C 99 59.264 59.264 59.292 -0.028 19852 463 1 . 1 1 99 99 LYS CB C 99 34.668 34.668 32.037 2.631 19852 464 1 . 1 1 99 99 LYS H H 99 8.129 8.129 7.855 0.274 19852 465 1 . 1 1 100 100 ASN N N 100 111.970 111.970 115.874 -3.904 19852 466 1 . 1 1 100 100 ASN C C 100 175.979 175.979 176.529 -0.550 19852 467 1 . 1 1 100 100 ASN CA C 100 53.407 53.407 54.577 -1.170 19852 468 1 . 1 1 100 100 ASN CB C 100 37.596 37.596 38.500 -0.904 19852 469 1 . 1 1 100 100 ASN H H 100 5.778 5.778 7.810 -2.032 19852 470 1 . 1 1 101 101 VAL N N 101 118.877 118.877 121.827 -2.950 19852 471 1 . 1 1 101 101 VAL C C 101 173.635 173.635 175.035 -1.400 19852 472 1 . 1 1 101 101 VAL CA C 101 62.777 62.777 68.367 -5.589 19852 473 1 . 1 1 101 101 VAL CB C 101 27.054 27.054 29.375 -2.321 19852 474 1 . 1 1 101 101 VAL H H 101 7.370 7.370 7.428 -0.058 19852 475 1 . 1 1 102 102 PRO C C 102 176.566 176.566 178.407 -1.841 19852 476 1 . 1 1 102 102 PRO CA C 102 62.500 62.500 66.307 -3.807 19852 477 1 . 1 1 102 102 PRO CB C 102 30.853 30.853 30.873 -0.020 19852 478 1 . 1 1 103 103 ASN N N 103 122.728 122.728 116.918 5.810 19852 479 1 . 1 1 103 103 ASN C C 103 175.100 175.100 177.508 -2.408 19852 480 1 . 1 1 103 103 ASN CA C 103 54.579 54.579 55.862 -1.283 19852 481 1 . 1 1 103 103 ASN CB C 103 38.767 38.767 37.585 1.182 19852 482 1 . 1 1 103 103 ASN H H 103 7.879 7.879 7.533 0.346 19852 483 1 . 1 1 104 104 TRP N N 104 132.158 132.158 120.988 11.170 19852 484 1 . 1 1 104 104 TRP C C 104 176.273 176.273 179.105 -2.832 19852 485 1 . 1 1 104 104 TRP CA C 104 60.435 60.435 60.835 -0.400 19852 486 1 . 1 1 104 104 TRP CB C 104 29.983 29.983 29.343 0.640 19852 487 1 . 1 1 104 104 TRP H H 104 9.541 9.541 7.871 1.670 19852 488 1 . 1 1 105 105 HIS N N 105 120.869 120.869 118.751 2.118 19852 489 1 . 1 1 105 105 HIS C C 105 177.738 177.738 177.632 0.106 19852 490 1 . 1 1 105 105 HIS H H 105 6.971 6.971 8.661 -1.690 19852 491 1 . 1 1 106 106 ARG N N 106 126.314 126.314 118.832 7.482 19852 492 1 . 1 1 106 106 ARG C C 106 176.566 176.566 178.728 -2.163 19852 493 1 . 1 1 106 106 ARG CA C 106 62.777 62.777 59.997 2.780 19852 494 1 . 1 1 106 106 ARG CB C 106 29.397 29.397 30.044 -0.647 19852 495 1 . 1 1 106 106 ARG H H 106 7.507 7.507 8.322 -0.815 19852 496 1 . 1 1 107 107 ASP N N 107 119.076 119.076 120.247 -1.171 19852 497 1 . 1 1 107 107 ASP C C 107 176.566 176.566 178.383 -1.817 19852 498 1 . 1 1 107 107 ASP CA C 107 55.164 55.164 57.030 -1.866 19852 499 1 . 1 1 107 107 ASP CB C 107 41.695 41.695 40.397 1.298 19852 500 1 . 1 1 107 107 ASP H H 107 9.076 9.076 7.942 1.134 19852 501 1 . 1 1 108 108 LEU N N 108 113.299 113.299 120.930 -7.631 19852 502 1 . 1 1 108 108 LEU C C 108 176.273 176.273 178.160 -1.887 19852 503 1 . 1 1 108 108 LEU CA C 108 59.264 59.264 57.709 1.555 19852 504 1 . 1 1 108 108 LEU CB C 108 48.722 48.722 41.855 6.867 19852 505 1 . 1 1 108 108 LEU H H 108 6.725 6.725 7.866 -1.141 19852 506 1 . 1 1 109 109 VAL N N 109 121.267 121.267 117.782 3.485 19852 507 1 . 1 1 109 109 VAL C C 109 175.393 175.393 177.907 -2.514 19852 508 1 . 1 1 109 109 VAL CA C 109 63.949 63.949 65.534 -1.585 19852 509 1 . 1 1 109 109 VAL CB C 109 32.911 32.911 31.240 1.670 19852 510 1 . 1 1 109 109 VAL H H 109 8.763 8.763 7.990 0.773 19852 511 1 . 1 1 110 110 ARG N N 110 112.900 112.900 118.338 -5.438 19852 512 1 . 1 1 110 110 ARG C C 110 176.273 176.273 178.117 -1.844 19852 513 1 . 1 1 110 110 ARG CA C 110 57.507 57.507 58.837 -1.330 19852 514 1 . 1 1 110 110 ARG CB C 110 30.568 30.568 30.266 0.302 19852 515 1 . 1 1 110 110 ARG H H 110 7.241 7.241 7.651 -0.410 19852 516 1 . 1 1 111 111 VAL N N 111 115.556 115.556 116.935 -1.379 19852 517 1 . 1 1 111 111 VAL C C 111 177.445 177.445 176.340 1.105 19852 518 1 . 1 1 111 111 VAL CA C 111 59.849 59.849 65.327 -5.478 19852 519 1 . 1 1 111 111 VAL CB C 111 32.911 32.911 32.570 0.341 19852 520 1 . 1 1 111 111 VAL H H 111 7.566 7.566 7.418 0.148 19852 521 1 . 1 1 112 112 CYS N N 112 114.295 114.295 119.773 -5.479 19852 522 1 . 1 1 112 112 CYS C C 112 169.826 169.826 173.335 -3.509 19852 523 1 . 1 1 112 112 CYS CA C 112 57.507 57.507 57.804 -0.297 19852 524 1 . 1 1 112 112 CYS CB C 112 35.839 35.839 29.055 6.784 19852 525 1 . 1 1 112 112 CYS H H 112 7.425 7.425 8.205 -0.780 19852 526 1 . 1 1 113 113 GLU N N 113 116.486 116.486 126.228 -9.742 19852 527 1 . 1 1 113 113 GLU C C 113 176.566 176.566 175.649 0.917 19852 528 1 . 1 1 113 113 GLU CA C 113 69.219 69.219 56.704 12.515 19852 529 1 . 1 1 113 113 GLU CB C 113 30.568 30.568 30.442 0.127 19852 530 1 . 1 1 113 113 GLU H H 113 7.241 7.241 8.669 -1.428 19852 531 1 . 1 1 114 114 ASN N N 114 129.302 129.302 116.616 12.686 19852 532 1 . 1 1 114 114 ASN C C 114 175.100 175.100 174.530 0.570 19852 533 1 . 1 1 114 114 ASN CA C 114 52.236 52.236 54.032 -1.796 19852 534 1 . 1 1 114 114 ASN CB C 114 39.938 39.938 37.287 2.651 19852 535 1 . 1 1 114 114 ASN H H 114 8.919 8.919 8.595 0.325 19852 536 1 . 1 1 115 115 ILE N N 115 110.443 110.443 117.560 -7.117 19852 537 1 . 1 1 115 115 ILE C C 115 175.100 175.100 174.180 0.920 19852 538 1 . 1 1 115 115 ILE CA C 115 65.705 65.705 57.754 7.951 19852 539 1 . 1 1 115 115 ILE CB C 115 39.353 39.353 38.454 0.899 19852 540 1 . 1 1 115 115 ILE H H 115 9.287 9.287 7.806 1.481 19852 541 1 . 1 1 116 116 PRO C C 116 175.979 175.979 175.634 0.345 19852 542 1 . 1 1 116 116 PRO CA C 116 63.086 63.086 63.060 0.025 19852 543 1 . 1 1 116 116 PRO CB C 116 29.681 29.681 32.429 -2.748 19852 544 1 . 1 1 117 117 ILE N N 117 123.591 123.591 123.454 0.137 19852 545 1 . 1 1 117 117 ILE C C 117 174.807 174.807 175.139 -0.332 19852 546 1 . 1 1 117 117 ILE CA C 117 66.291 66.291 60.233 6.058 19852 547 1 . 1 1 117 117 ILE CB C 117 38.767 38.767 42.333 -3.566 19852 548 1 . 1 1 117 117 ILE H H 117 7.781 7.781 8.566 -0.785 19852 549 1 . 1 1 118 118 VAL N N 118 119.009 119.009 125.463 -6.454 19852 550 1 . 1 1 118 118 VAL C C 118 178.324 178.324 174.632 3.692 19852 551 1 . 1 1 118 118 VAL CA C 118 62.777 62.777 60.835 1.942 19852 552 1 . 1 1 118 118 VAL CB C 118 31.154 31.154 33.945 -2.791 19852 553 1 . 1 1 118 118 VAL H H 118 8.767 8.767 8.694 0.073 19852 554 1 . 1 1 119 119 LEU N N 119 119.408 119.408 126.515 -7.107 19852 555 1 . 1 1 119 119 LEU C C 119 178.031 178.031 176.174 1.857 19852 556 1 . 1 1 119 119 LEU CA C 119 42.866 42.866 53.469 -10.603 19852 557 1 . 1 1 119 119 LEU CB C 119 38.767 38.767 43.951 -5.184 19852 558 1 . 1 1 119 119 LEU H H 119 7.734 7.734 9.041 -1.307 19852 559 1 . 1 1 120 120 CYS N N 120 113.232 113.232 121.785 -8.553 19852 560 1 . 1 1 120 120 CYS C C 120 178.031 178.031 174.241 3.790 19852 561 1 . 1 1 120 120 CYS H H 120 8.317 8.317 9.083 -0.766 19852 562 1 . 1 1 121 121 GLY N N 121 117.349 117.349 112.444 4.905 19852 563 1 . 1 1 121 121 GLY C C 121 176.851 176.851 172.773 4.078 19852 564 1 . 1 1 121 121 GLY CA C 121 41.109 41.109 43.464 -2.355 19852 565 1 . 1 1 121 121 GLY H H 121 7.515 7.515 8.608 -1.093 19852 566 1 . 1 1 122 122 ASN N N 122 125.318 125.318 124.608 0.710 19852 567 1 . 1 1 122 122 ASN C C 122 175.686 175.686 175.608 0.078 19852 568 1 . 1 1 122 122 ASN CA C 122 50.479 50.479 51.600 -1.121 19852 569 1 . 1 1 122 122 ASN CB C 122 39.353 39.353 40.844 -1.491 19852 570 1 . 1 1 122 122 ASN H H 122 9.162 9.162 8.635 0.527 19852 571 1 . 1 1 123 123 LYS N N 123 124.920 124.920 115.784 9.136 19852 572 1 . 1 1 123 123 LYS C C 123 176.566 176.566 177.177 -0.611 19852 573 1 . 1 1 123 123 LYS CA C 123 70.976 70.976 57.635 13.341 19852 574 1 . 1 1 123 123 LYS CB C 123 35.253 35.253 30.252 5.002 19852 575 1 . 1 1 123 123 LYS H H 123 8.086 8.086 8.694 -0.608 19852 576 1 . 1 1 124 124 VAL N N 124 125.517 125.517 112.782 12.735 19852 577 1 . 1 1 124 124 VAL C C 124 177.738 177.738 176.303 1.435 19852 578 1 . 1 1 124 124 VAL CA C 124 62.777 62.777 63.986 -1.209 19852 579 1 . 1 1 124 124 VAL CB C 124 33.496 33.496 31.379 2.117 19852 580 1 . 1 1 124 124 VAL H H 124 9.483 9.483 7.638 1.845 19852 581 1 . 1 1 125 125 ASP N N 125 119.607 119.607 119.859 -0.252 19852 582 1 . 1 1 125 125 ASP C C 125 176.566 176.566 176.980 -0.414 19852 583 1 . 1 1 125 125 ASP CA C 125 55.750 55.750 56.533 -0.783 19852 584 1 . 1 1 125 125 ASP CB C 125 40.524 40.524 40.717 -0.193 19852 585 1 . 1 1 125 125 ASP H H 125 7.875 7.875 7.749 0.126 19852 586 1 . 1 1 126 126 ILE N N 126 116.088 116.088 120.837 -4.749 19852 587 1 . 1 1 126 126 ILE C C 126 177.152 177.152 176.775 0.377 19852 588 1 . 1 1 126 126 ILE CA C 126 66.291 66.291 61.830 4.461 19852 589 1 . 1 1 126 126 ILE CB C 126 39.353 39.353 38.325 1.028 19852 590 1 . 1 1 126 126 ILE H H 126 7.511 7.511 7.471 0.040 19852 591 1 . 1 1 127 127 LYS N N 127 117.681 117.681 125.146 -7.465 19852 592 1 . 1 1 127 127 LYS C C 127 177.152 177.152 176.910 0.242 19852 593 1 . 1 1 127 127 LYS CA C 127 57.507 57.507 58.491 -0.984 19852 594 1 . 1 1 127 127 LYS CB C 127 31.154 31.154 32.696 -1.542 19852 595 1 . 1 1 127 127 LYS H H 127 8.059 8.059 8.476 -0.417 19852 596 1 . 1 1 128 128 ASP N N 128 118.279 118.279 119.380 -1.101 19852 597 1 . 1 1 128 128 ASP C C 128 176.566 176.566 175.088 1.478 19852 598 1 . 1 1 128 128 ASP CA C 128 53.407 53.407 53.238 0.169 19852 599 1 . 1 1 128 128 ASP CB C 128 40.524 40.524 40.194 0.330 19852 600 1 . 1 1 128 128 ASP H H 128 7.241 7.241 8.090 -0.849 19852 601 1 . 1 1 129 129 ARG N N 129 118.943 118.943 125.607 -6.664 19852 602 1 . 1 1 129 129 ARG C C 129 177.738 177.738 175.846 1.892 19852 603 1 . 1 1 129 129 ARG CA C 129 45.794 45.794 56.040 -10.246 19852 604 1 . 1 1 129 129 ARG CB C 129 31.154 31.154 30.692 0.462 19852 605 1 . 1 1 129 129 ARG H H 129 8.423 8.423 8.035 0.388 19852 606 1 . 1 1 130 130 LYS N N 130 109.381 109.381 124.460 -15.079 19852 607 1 . 1 1 130 130 LYS C C 130 176.566 176.566 176.810 -0.244 19852 608 1 . 1 1 130 130 LYS CA C 130 55.164 55.164 57.033 -1.869 19852 609 1 . 1 1 130 130 LYS CB C 130 36.424 36.424 33.434 2.990 19852 610 1 . 1 1 130 130 LYS H H 130 7.296 7.296 8.376 -1.080 19852 611 1 . 1 1 131 131 VAL N N 131 110.377 110.377 121.202 -10.825 19852 612 1 . 1 1 131 131 VAL C C 131 178.617 178.617 174.757 3.860 19852 613 1 . 1 1 131 131 VAL CA C 131 65.705 65.705 61.989 3.717 19852 614 1 . 1 1 131 131 VAL CB C 131 35.839 35.839 31.459 4.380 19852 615 1 . 1 1 131 131 VAL H H 131 9.283 9.283 8.276 1.007 19852 616 1 . 1 1 132 132 LYS N N 132 110.310 110.310 127.253 -16.943 19852 617 1 . 1 1 132 132 LYS C C 132 176.273 176.273 177.802 -1.529 19852 618 1 . 1 1 132 132 LYS CA C 132 59.849 59.849 54.503 5.346 19852 619 1 . 1 1 132 132 LYS CB C 132 35.253 35.253 34.369 0.884 19852 620 1 . 1 1 132 132 LYS H H 132 9.709 9.709 7.686 2.023 19852 621 1 . 1 1 133 133 ALA N N 133 134.349 134.349 124.219 10.130 19852 622 1 . 1 1 133 133 ALA CA C 133 51.065 51.065 55.411 -4.347 19852 623 1 . 1 1 133 133 ALA CB C 133 12.999 12.999 18.213 -5.214 19852 624 1 . 1 1 133 133 ALA H H 133 6.322 6.322 8.782 -2.460 19852 625 1 . 1 1 134 134 LYS N N 134 117.615 117.615 117.461 0.154 19852 626 1 . 1 1 134 134 LYS C C 134 176.859 176.859 178.824 -1.965 19852 627 1 . 1 1 134 134 LYS CA C 134 55.750 55.750 59.357 -3.607 19852 628 1 . 1 1 134 134 LYS CB C 134 54.579 54.579 32.238 22.341 19852 629 1 . 1 1 134 134 LYS H H 134 6.549 6.549 8.610 -2.061 19852 630 1 . 1 1 135 135 SER N N 135 109.314 109.314 111.702 -2.388 19852 631 1 . 1 1 135 135 SER C C 135 173.635 173.635 174.198 -0.563 19852 632 1 . 1 1 135 135 SER CA C 135 56.336 56.336 57.636 -1.300 19852 633 1 . 1 1 135 135 SER CB C 135 63.949 63.949 64.086 -0.137 19852 634 1 . 1 1 135 135 SER H H 135 7.840 7.840 7.697 0.142 19852 635 1 . 1 1 136 136 ILE N N 136 124.123 124.123 124.264 -0.141 19852 636 1 . 1 1 136 136 ILE C C 136 175.100 175.100 174.565 0.535 19852 637 1 . 1 1 136 136 ILE CA C 136 68.634 68.634 61.473 7.161 19852 638 1 . 1 1 136 136 ILE CB C 136 43.452 43.452 36.855 6.597 19852 639 1 . 1 1 136 136 ILE H H 136 8.098 8.098 7.252 0.846 19852 640 1 . 1 1 137 137 VAL N N 137 113.232 113.232 126.612 -13.380 19852 641 1 . 1 1 137 137 VAL C C 137 176.859 176.859 176.969 -0.110 19852 642 1 . 1 1 137 137 VAL CA C 137 64.534 64.534 63.204 1.330 19852 643 1 . 1 1 137 137 VAL CB C 137 34.082 34.082 32.050 2.032 19852 644 1 . 1 1 137 137 VAL H H 137 7.711 7.711 8.294 -0.583 19852 645 1 . 1 1 138 138 PHE N N 138 118.279 118.279 121.931 -3.652 19852 646 1 . 1 1 138 138 PHE C C 138 175.393 175.393 176.356 -0.963 19852 647 1 . 1 1 138 138 PHE CA C 138 58.092 58.092 61.781 -3.689 19852 648 1 . 1 1 138 138 PHE CB C 138 39.353 39.353 38.928 0.425 19852 649 1 . 1 1 138 138 PHE H H 138 8.317 8.317 8.208 0.109 19852 650 1 . 1 1 139 139 HIS N N 139 107.654 107.654 115.929 -8.276 19852 651 1 . 1 1 139 139 HIS C C 139 175.979 175.979 177.560 -1.581 19852 652 1 . 1 1 139 139 HIS CA C 139 53.993 53.993 59.679 -5.686 19852 653 1 . 1 1 139 139 HIS CB C 139 28.811 28.811 29.372 -0.561 19852 654 1 . 1 1 139 139 HIS H H 139 8.016 8.016 7.768 0.248 19852 655 1 . 1 1 140 140 ARG N N 140 117.084 117.084 119.786 -2.702 19852 656 1 . 1 1 140 140 ARG C C 140 176.859 176.859 178.944 -2.085 19852 657 1 . 1 1 140 140 ARG CA C 140 57.507 57.507 59.606 -2.099 19852 658 1 . 1 1 140 140 ARG CB C 140 31.739 31.739 30.004 1.735 19852 659 1 . 1 1 140 140 ARG H H 140 8.763 8.763 7.772 0.991 19852 660 1 . 1 1 141 141 LYS N N 141 115.623 115.623 119.165 -3.542 19852 661 1 . 1 1 141 141 LYS C C 141 173.635 173.635 177.933 -4.298 19852 662 1 . 1 1 141 141 LYS CA C 141 58.092 58.092 58.617 -0.525 19852 663 1 . 1 1 141 141 LYS CB C 141 33.496 33.496 32.101 1.394 19852 664 1 . 1 1 141 141 LYS H H 141 7.449 7.449 7.832 -0.383 19852 665 1 . 1 1 142 142 LYS N N 142 114.162 114.162 114.899 -0.737 19852 666 1 . 1 1 142 142 LYS C C 142 175.979 175.979 175.933 0.046 19852 667 1 . 1 1 142 142 LYS CA C 142 51.065 51.065 54.641 -3.576 19852 668 1 . 1 1 142 142 LYS CB C 142 34.668 34.668 31.982 2.686 19852 669 1 . 1 1 142 142 LYS H H 142 8.982 8.982 7.169 1.813 19852 670 1 . 1 1 143 143 ASN N N 143 112.103 112.103 115.384 -3.281 19852 671 1 . 1 1 143 143 ASN C C 143 175.100 175.100 174.033 1.067 19852 672 1 . 1 1 143 143 ASN CA C 143 53.407 53.407 54.148 -0.741 19852 673 1 . 1 1 143 143 ASN CB C 143 39.938 39.938 36.389 3.549 19852 674 1 . 1 1 143 143 ASN H H 143 7.402 7.402 7.850 -0.448 19852 675 1 . 1 1 144 144 LEU N N 144 118.810 118.810 117.382 1.428 19852 676 1 . 1 1 144 144 LEU CA C 144 53.993 53.993 53.667 0.326 19852 677 1 . 1 1 144 144 LEU CB C 144 42.866 42.866 43.732 -0.866 19852 678 1 . 1 1 144 144 LEU H H 144 7.793 7.793 7.908 -0.115 19852 679 1 . 1 1 145 145 GLN N N 145 119.607 119.607 118.296 1.310 19852 680 1 . 1 1 145 145 GLN C C 145 176.859 176.859 173.972 2.887 19852 681 1 . 1 1 145 145 GLN CA C 145 55.164 55.164 53.450 1.714 19852 682 1 . 1 1 145 145 GLN CB C 145 29.983 29.983 30.466 -0.483 19852 683 1 . 1 1 145 145 GLN H H 145 7.014 7.014 7.546 -0.532 19852 684 1 . 1 1 146 146 TYR N N 146 119.275 119.275 124.752 -5.477 19852 685 1 . 1 1 146 146 TYR C C 146 174.807 174.807 174.171 0.636 19852 686 1 . 1 1 146 146 TYR CA C 146 62.777 62.777 55.682 7.095 19852 687 1 . 1 1 146 146 TYR CB C 146 41.109 41.109 40.110 0.999 19852 688 1 . 1 1 146 146 TYR H H 146 9.350 9.350 8.099 1.251 19852 689 1 . 1 1 147 147 TYR N N 147 123.658 123.658 125.130 -1.472 19852 690 1 . 1 1 147 147 TYR C C 147 177.738 177.738 173.445 4.293 19852 691 1 . 1 1 147 147 TYR CA C 147 58.092 58.092 56.231 1.861 19852 692 1 . 1 1 147 147 TYR CB C 147 39.938 39.938 42.080 -2.142 19852 693 1 . 1 1 147 147 TYR H H 147 8.340 8.340 8.085 0.255 19852 694 1 . 1 1 148 148 ASP N N 148 121.267 121.267 123.174 -1.907 19852 695 1 . 1 1 148 148 ASP C C 148 176.859 176.859 175.487 1.372 19852 696 1 . 1 1 148 148 ASP CA C 148 54.579 54.579 54.320 0.259 19852 697 1 . 1 1 148 148 ASP CB C 148 41.109 41.109 41.664 -0.555 19852 698 1 . 1 1 148 148 ASP H H 148 8.911 8.911 8.346 0.565 19852 699 1 . 1 1 149 149 ILE N N 149 119.607 119.607 118.059 1.548 19852 700 1 . 1 1 149 149 ILE C C 149 174.807 174.807 174.434 0.373 19852 701 1 . 1 1 149 149 ILE CA C 149 61.020 61.020 59.350 1.670 19852 702 1 . 1 1 149 149 ILE CB C 149 39.353 39.353 42.418 -3.065 19852 703 1 . 1 1 149 149 ILE H H 149 8.712 8.712 8.561 0.151 19852 704 1 . 1 1 150 150 SER N N 150 117.349 117.349 118.187 -0.838 19852 705 1 . 1 1 150 150 SER C C 150 175.686 175.686 174.241 1.445 19852 706 1 . 1 1 150 150 SER CA C 150 60.435 60.435 56.611 3.824 19852 707 1 . 1 1 150 150 SER CB C 150 62.192 62.192 65.888 -3.696 19852 708 1 . 1 1 150 150 SER H H 150 8.454 8.454 8.584 -0.130 19852 709 1 . 1 1 151 151 ALA N N 151 131.162 131.162 130.181 0.981 19852 710 1 . 1 1 151 151 ALA C C 151 160.742 160.742 179.413 -18.671 19852 711 1 . 1 1 151 151 ALA CA C 151 53.993 53.993 55.403 -1.410 19852 712 1 . 1 1 151 151 ALA CB C 151 22.369 22.369 18.795 3.574 19852 713 1 . 1 1 151 151 ALA H H 151 10.640 10.640 9.013 1.627 19852 714 1 . 1 1 152 152 LYS N N 152 121.400 121.400 118.419 2.981 19852 715 1 . 1 1 152 152 LYS C C 152 174.221 174.221 177.968 -3.747 19852 716 1 . 1 1 152 152 LYS CA C 152 59.849 59.849 59.500 0.349 19852 717 1 . 1 1 152 152 LYS CB C 152 34.668 34.668 32.360 2.308 19852 718 1 . 1 1 152 152 LYS H H 152 9.099 9.099 8.674 0.425 19852 719 1 . 1 1 153 153 SER N N 153 115.212 115.212 110.916 4.295 19852 720 1 . 1 1 153 153 SER C C 153 177.152 177.152 174.264 2.888 19852 721 1 . 1 1 153 153 SER CA C 153 62.192 62.192 57.953 4.239 19852 722 1 . 1 1 153 153 SER CB C 153 66.291 66.291 63.865 2.426 19852 723 1 . 1 1 153 153 SER H H 153 8.935 8.935 7.910 1.025 19852 724 1 . 1 1 154 154 ASN N N 154 119.341 119.341 116.450 2.891 19852 725 1 . 1 1 154 154 ASN C C 154 175.979 175.979 174.082 1.897 19852 726 1 . 1 1 154 154 ASN CA C 154 49.894 49.894 54.693 -4.799 19852 727 1 . 1 1 154 154 ASN CB C 154 39.353 39.353 36.657 2.696 19852 728 1 . 1 1 154 154 ASN H H 154 7.488 7.488 7.823 -0.335 19852 729 1 . 1 1 155 155 TYR N N 155 113.498 113.498 123.362 -9.865 19852 730 1 . 1 1 155 155 TYR C C 155 173.928 173.928 175.228 -1.300 19852 731 1 . 1 1 155 155 TYR CA C 155 56.336 56.336 59.776 -3.440 19852 732 1 . 1 1 155 155 TYR CB C 155 37.596 37.596 38.944 -1.348 19852 733 1 . 1 1 155 155 TYR H H 155 6.486 6.486 8.155 -1.668 19852 734 1 . 1 1 156 156 ASN N N 156 122.396 122.396 122.760 -0.364 19852 735 1 . 1 1 156 156 ASN C C 156 175.979 175.979 174.685 1.294 19852 736 1 . 1 1 156 156 ASN CA C 156 51.651 51.651 54.250 -2.599 19852 737 1 . 1 1 156 156 ASN CB C 156 38.767 38.767 36.106 2.660 19852 738 1 . 1 1 156 156 ASN H H 156 8.352 8.352 8.768 -0.416 19852 739 1 . 1 1 157 157 PHE N N 157 123.459 123.459 119.133 4.326 19852 740 1 . 1 1 157 157 PHE C C 157 174.221 174.221 176.737 -2.516 19852 741 1 . 1 1 157 157 PHE CA C 157 57.507 57.507 61.087 -3.580 19852 742 1 . 1 1 157 157 PHE CB C 157 39.353 39.353 39.503 -0.150 19852 743 1 . 1 1 157 157 PHE H H 157 7.429 7.429 7.582 -0.153 19852 744 1 . 1 1 158 158 GLU N N 158 112.568 112.568 118.523 -5.955 19852 745 1 . 1 1 158 158 GLU C C 158 176.566 176.566 178.596 -2.030 19852 746 1 . 1 1 158 158 GLU CA C 158 72.147 72.147 59.546 12.601 19852 747 1 . 1 1 158 158 GLU CB C 158 27.640 27.640 29.126 -1.486 19852 748 1 . 1 1 158 158 GLU H H 158 7.495 7.495 8.955 -1.460 19852 749 1 . 1 1 159 159 LYS N N 159 113.232 113.232 118.545 -5.313 19852 750 1 . 1 1 159 159 LYS C C 159 176.566 176.566 175.873 0.694 19852 751 1 . 1 1 159 159 LYS CA C 159 53.993 53.993 60.824 -6.831 19852 752 1 . 1 1 159 159 LYS CB C 159 33.496 33.496 29.932 3.564 19852 753 1 . 1 1 159 159 LYS H H 159 6.862 6.862 7.857 -0.995 19852 754 1 . 1 1 160 160 PRO C C 160 176.273 176.273 178.475 -2.202 19852 755 1 . 1 1 160 160 PRO CA C 160 64.258 64.258 65.507 -1.249 19852 756 1 . 1 1 160 160 PRO CB C 160 32.318 32.318 31.030 1.288 19852 757 1 . 1 1 161 161 PHE N N 161 120.271 120.271 116.316 3.955 19852 758 1 . 1 1 161 161 PHE C C 161 175.100 175.100 177.664 -2.564 19852 759 1 . 1 1 161 161 PHE CA C 161 56.336 56.336 61.769 -5.434 19852 760 1 . 1 1 161 161 PHE CB C 161 39.353 39.353 37.685 1.668 19852 761 1 . 1 1 161 161 PHE H H 161 8.074 8.074 7.111 0.963 19852 762 1 . 1 1 162 162 LEU N N 162 110.177 110.177 119.959 -9.782 19852 763 1 . 1 1 162 162 LEU C C 162 176.273 176.273 178.180 -1.907 19852 764 1 . 1 1 162 162 LEU CA C 162 55.750 55.750 58.006 -2.256 19852 765 1 . 1 1 162 162 LEU CB C 162 44.037 44.037 41.139 2.898 19852 766 1 . 1 1 162 162 LEU H H 162 7.527 7.527 8.009 -0.482 19852 767 1 . 1 1 163 163 TRP N N 163 123.525 123.525 120.850 2.675 19852 768 1 . 1 1 163 163 TRP C C 163 177.152 177.152 178.069 -0.917 19852 769 1 . 1 1 163 163 TRP CA C 163 61.606 61.606 62.256 -0.649 19852 770 1 . 1 1 163 163 TRP CB C 163 28.811 28.811 29.537 -0.726 19852 771 1 . 1 1 163 163 TRP H H 163 7.476 7.476 7.910 -0.434 19852 772 1 . 1 1 164 164 LEU N N 164 119.740 119.740 119.065 0.675 19852 773 1 . 1 1 164 164 LEU C C 164 175.686 175.686 178.980 -3.294 19852 774 1 . 1 1 164 164 LEU CA C 164 61.020 61.020 57.899 3.121 19852 775 1 . 1 1 164 164 LEU CB C 164 45.794 45.794 41.419 4.375 19852 776 1 . 1 1 164 164 LEU H H 164 9.412 9.412 8.109 1.303 19852 777 1 . 1 1 165 165 ALA N N 165 118.013 118.013 121.566 -3.553 19852 778 1 . 1 1 165 165 ALA C C 165 165.723 165.723 179.619 -13.896 19852 779 1 . 1 1 165 165 ALA CA C 165 52.236 52.236 55.362 -3.126 19852 780 1 . 1 1 165 165 ALA CB C 165 21.784 21.784 18.277 3.506 19852 781 1 . 1 1 165 165 ALA H H 165 7.707 7.707 8.498 -0.791 19852 782 1 . 1 1 166 166 ARG N N 166 122.994 122.994 118.244 4.750 19852 783 1 . 1 1 166 166 ARG C C 166 175.979 175.979 178.952 -2.973 19852 784 1 . 1 1 166 166 ARG CA C 166 49.308 49.308 59.200 -9.893 19852 785 1 . 1 1 166 166 ARG CB C 166 29.397 29.397 30.119 -0.722 19852 786 1 . 1 1 166 166 ARG H H 166 8.692 8.692 8.133 0.559 19852 787 1 . 1 1 167 167 LYS N N 167 112.568 112.568 119.857 -7.289 19852 788 1 . 1 1 167 167 LYS C C 167 176.273 176.273 179.224 -2.951 19852 789 1 . 1 1 167 167 LYS CA C 167 58.092 58.092 58.509 -0.417 19852 790 1 . 1 1 167 167 LYS CB C 167 34.668 34.668 31.576 3.092 19852 791 1 . 1 1 167 167 LYS H H 167 6.819 6.819 7.482 -0.663 19852 792 1 . 1 1 168 168 LEU N N 168 114.959 114.959 119.890 -4.931 19852 793 1 . 1 1 168 168 LEU C C 168 177.738 177.738 178.933 -1.195 19852 794 1 . 1 1 168 168 LEU CA C 168 56.921 56.921 57.495 -0.574 19852 795 1 . 1 1 168 168 LEU CB C 168 41.695 41.695 41.525 0.170 19852 796 1 . 1 1 168 168 LEU H H 168 7.269 7.269 7.903 -0.634 19852 797 1 . 1 1 169 169 ILE N N 169 124.986 124.986 116.684 8.302 19852 798 1 . 1 1 169 169 ILE C C 169 171.877 171.877 177.322 -5.445 19852 799 1 . 1 1 169 169 ILE CA C 169 68.048 68.048 62.602 5.446 19852 800 1 . 1 1 169 169 ILE CB C 169 39.353 39.353 38.283 1.070 19852 801 1 . 1 1 169 169 ILE H H 169 8.915 8.915 8.078 0.837 19852 802 1 . 1 1 170 170 GLY N N 170 113.099 113.099 107.088 6.011 19852 803 1 . 1 1 170 170 GLY C C 170 162.496 162.496 173.855 -11.359 19852 804 1 . 1 1 170 170 GLY CA C 170 44.037 44.037 44.957 -0.920 19852 805 1 . 1 1 170 170 GLY H H 170 6.686 6.686 7.951 -1.265 19852 806 1 . 1 1 171 171 ASP N N 171 113.232 113.232 121.375 -8.143 19852 807 1 . 1 1 171 171 ASP C C 171 178.910 178.910 175.503 3.407 19852 808 1 . 1 1 171 171 ASP CA C 171 50.479 50.479 50.562 -0.083 19852 809 1 . 1 1 171 171 ASP CB C 171 41.109 41.109 42.077 -0.968 19852 810 1 . 1 1 171 171 ASP H H 171 6.815 6.815 7.630 -0.815 19852 811 1 . 1 1 172 172 PRO C C 172 176.566 176.566 176.810 -0.244 19852 812 1 . 1 1 172 172 PRO CA C 172 63.965 63.965 63.903 0.062 19852 813 1 . 1 1 172 172 PRO CB C 172 31.732 31.732 32.237 -0.505 19852 814 1 . 1 1 173 173 ASN N N 173 109.779 109.779 116.610 -6.831 19852 815 1 . 1 1 173 173 ASN C C 173 175.979 175.979 175.466 0.513 19852 816 1 . 1 1 173 173 ASN CA C 173 54.579 54.579 53.139 1.440 19852 817 1 . 1 1 173 173 ASN CB C 173 36.424 36.424 39.028 -2.603 19852 818 1 . 1 1 173 173 ASN H H 173 8.016 8.016 8.434 -0.418 19852 819 1 . 1 1 174 174 LEU N N 174 109.248 109.248 122.402 -13.154 19852 820 1 . 1 1 174 174 LEU C C 174 176.566 176.566 175.758 0.808 19852 821 1 . 1 1 174 174 LEU CA C 174 56.336 56.336 55.989 0.347 19852 822 1 . 1 1 174 174 LEU CB C 174 44.037 44.037 42.382 1.655 19852 823 1 . 1 1 174 174 LEU H H 174 7.871 7.871 7.274 0.597 19852 824 1 . 1 1 175 175 GLU N N 175 125.185 125.185 123.088 2.097 19852 825 1 . 1 1 175 175 GLU C C 175 177.445 177.445 174.828 2.617 19852 826 1 . 1 1 175 175 GLU CA C 175 76.247 76.247 54.405 21.842 19852 827 1 . 1 1 175 175 GLU CB C 175 28.811 28.811 34.077 -5.266 19852 828 1 . 1 1 175 175 GLU H H 175 9.127 9.127 8.513 0.614 19852 829 1 . 1 1 176 176 PHE N N 176 136.873 136.873 121.935 14.938 19852 830 1 . 1 1 176 176 PHE C C 176 178.617 178.617 176.879 1.738 19852 831 1 . 1 1 176 176 PHE CA C 176 59.264 59.264 55.883 3.381 19852 832 1 . 1 1 176 176 PHE CB C 176 44.623 44.623 38.325 6.298 19852 833 1 . 1 1 176 176 PHE H H 176 10.058 10.058 8.718 1.340 19852 834 1 . 1 1 177 177 VAL N N 177 118.877 118.877 125.955 -7.078 19852 835 1 . 1 1 177 177 VAL C C 177 177.445 177.445 176.097 1.348 19852 836 1 . 1 1 177 177 VAL CA C 177 62.777 62.777 64.626 -1.849 19852 837 1 . 1 1 177 177 VAL CB C 177 34.668 34.668 32.225 2.443 19852 838 1 . 1 1 177 177 VAL H H 177 7.789 7.789 8.621 -0.832 19852 839 1 . 1 1 178 178 ALA N N 178 128.904 128.904 120.383 8.522 19852 840 1 . 1 1 178 178 ALA CA C 178 57.507 57.507 51.180 6.327 19852 841 1 . 1 1 178 178 ALA CB C 178 19.441 19.441 21.333 -1.892 19852 842 1 . 1 1 178 178 ALA H H 178 7.566 7.566 7.503 0.063 19852 843 1 . 1 1 179 179 MET N N 179 120.736 120.736 122.253 -1.517 19852 844 1 . 1 1 179 179 MET C C 179 176.859 176.859 174.690 2.169 19852 845 1 . 1 1 179 179 MET CA C 179 56.336 56.336 52.822 3.514 19852 846 1 . 1 1 179 179 MET CB C 179 34.668 34.668 33.227 1.441 19852 847 1 . 1 1 179 179 MET H H 179 7.930 7.930 8.479 -0.548 19852 848 1 . 1 1 180 180 PRO C C 180 177.445 177.445 175.689 1.756 19852 849 1 . 1 1 180 180 PRO CA C 180 64.844 64.844 62.413 2.431 19852 850 1 . 1 1 180 180 PRO CB C 180 29.974 29.974 32.018 -2.044 19852 851 1 . 1 1 181 181 ALA N N 181 128.439 128.439 123.326 5.113 19852 852 1 . 1 1 181 181 ALA C C 181 176.273 176.273 175.979 0.294 19852 853 1 . 1 1 181 181 ALA CA C 181 58.092 58.092 52.404 5.688 19852 854 1 . 1 1 181 181 ALA CB C 181 21.198 21.198 19.140 2.058 19852 855 1 . 1 1 181 181 ALA H H 181 8.673 8.673 8.154 0.519 19852 856 1 . 1 1 182 182 LEU N N 182 122.130 122.130 123.377 -1.247 19852 857 1 . 1 1 182 182 LEU C C 182 177.445 177.445 176.863 0.582 19852 858 1 . 1 1 182 182 LEU CA C 182 55.164 55.164 52.466 2.698 19852 859 1 . 1 1 182 182 LEU CB C 182 42.866 42.866 45.359 -2.493 19852 860 1 . 1 1 182 182 LEU H H 182 8.821 8.821 8.081 0.740 19852 861 1 . 1 1 183 183 ALA N N 183 108.783 108.783 125.369 -16.587 19852 862 1 . 1 1 183 183 ALA C C 183 160.742 160.742 175.509 -14.767 19852 863 1 . 1 1 183 183 ALA CA C 183 51.651 51.651 50.684 0.967 19852 864 1 . 1 1 183 183 ALA CB C 183 18.856 18.856 17.980 0.877 19852 865 1 . 1 1 183 183 ALA H H 183 7.621 7.621 8.332 -0.711 19852 866 1 . 1 1 184 184 PRO C C 184 177.152 177.152 174.977 2.175 19852 867 1 . 1 1 184 184 PRO CA C 184 64.258 64.258 62.088 2.170 19852 868 1 . 1 1 184 184 PRO CB C 184 29.681 29.681 31.564 -1.883 19852 869 1 . 1 1 185 185 PRO C C 185 175.686 175.686 177.089 -1.403 19852 870 1 . 1 1 185 185 PRO CA C 185 63.379 63.379 63.151 0.228 19852 871 1 . 1 1 185 185 PRO CB C 185 35.248 35.248 32.217 3.031 19852 872 1 . 1 1 186 186 GLU N N 186 104.931 104.931 124.445 -19.514 19852 873 1 . 1 1 186 186 GLU C C 186 174.221 174.221 176.713 -2.492 19852 874 1 . 1 1 186 186 GLU CA C 186 57.507 57.507 58.505 -0.998 19852 875 1 . 1 1 186 186 GLU CB C 186 31.739 31.739 30.188 1.551 19852 876 1 . 1 1 186 186 GLU H H 186 8.673 8.673 8.760 -0.087 19852 877 1 . 1 1 187 187 VAL N N 187 124.455 124.455 112.303 12.152 19852 878 1 . 1 1 187 187 VAL C C 187 178.910 178.910 174.110 4.800 19852 879 1 . 1 1 187 187 VAL CA C 187 63.363 63.363 60.511 2.852 19852 880 1 . 1 1 187 187 VAL CB C 187 34.082 34.082 34.764 -0.682 19852 881 1 . 1 1 187 187 VAL H H 187 8.622 8.622 7.470 1.152 19852 882 1 . 1 1 188 188 VAL N N 188 128.572 128.572 121.556 7.016 19852 883 1 . 1 1 188 188 VAL C C 188 178.324 178.324 175.372 2.952 19852 884 1 . 1 1 188 188 VAL CA C 188 68.634 68.634 61.680 6.954 19852 885 1 . 1 1 188 188 VAL CB C 188 31.154 31.154 33.311 -2.157 19852 886 1 . 1 1 188 188 VAL H H 188 8.497 8.497 8.199 0.298 19852 887 1 . 1 1 189 189 MET N N 189 122.795 122.795 126.987 -4.192 19852 888 1 . 1 1 189 189 MET C C 189 177.445 177.445 175.271 2.174 19852 889 1 . 1 1 189 189 MET CA C 189 55.164 55.164 54.886 0.278 19852 890 1 . 1 1 189 189 MET CB C 189 35.253 35.253 33.469 1.784 19852 891 1 . 1 1 189 189 MET H H 189 6.991 6.991 8.437 -1.446 19852 892 1 . 1 1 190 190 ASP N N 190 114.959 114.959 128.252 -13.292 19852 893 1 . 1 1 190 190 ASP C C 190 175.686 175.686 175.820 -0.134 19852 894 1 . 1 1 190 190 ASP CA C 190 51.065 51.065 52.351 -1.286 19852 895 1 . 1 1 190 190 ASP CB C 190 41.695 41.695 41.920 -0.225 19852 896 1 . 1 1 190 190 ASP H H 190 7.210 7.210 8.541 -1.331 19852 897 1 . 1 1 191 191 PRO C C 191 176.566 176.566 177.973 -1.407 19852 898 1 . 1 1 191 191 PRO CA C 191 63.965 63.965 65.216 -1.251 19852 899 1 . 1 1 191 191 PRO CB C 191 31.146 31.146 31.827 -0.681 19852 900 1 . 1 1 192 192 ALA N N 192 109.513 109.513 120.202 -10.689 19852 901 1 . 1 1 192 192 ALA CA C 192 53.993 53.993 54.876 -0.883 19852 902 1 . 1 1 192 192 ALA CB C 192 19.441 19.441 18.124 1.317 19852 903 1 . 1 1 192 192 ALA H H 192 7.394 7.394 7.847 -0.453 19852 904 1 . 1 1 193 193 LEU N N 193 119.009 119.009 119.441 -0.431 19852 905 1 . 1 1 193 193 LEU C C 193 175.979 175.979 178.854 -2.875 19852 906 1 . 1 1 193 193 LEU CA C 193 56.336 56.336 57.165 -0.830 19852 907 1 . 1 1 193 193 LEU CB C 193 42.866 42.866 41.348 1.518 19852 908 1 . 1 1 193 193 LEU H H 193 8.340 8.340 7.903 0.437 19852 909 1 . 1 1 194 194 ALA N N 194 121.666 121.666 121.495 0.171 19852 910 1 . 1 1 194 194 ALA C C 194 166.896 166.896 179.256 -12.360 19852 911 1 . 1 1 194 194 ALA CA C 194 55.164 55.164 54.892 0.272 19852 912 1 . 1 1 194 194 ALA CB C 194 16.513 16.513 18.089 -1.576 19852 913 1 . 1 1 194 194 ALA H H 194 8.176 8.176 8.086 0.090 19852 914 1 . 1 1 195 195 ALA N N 195 119.541 119.541 121.138 -1.597 19852 915 1 . 1 1 195 195 ALA C C 195 173.928 173.928 179.661 -5.733 19852 916 1 . 1 1 195 195 ALA CA C 195 57.507 57.507 54.862 2.645 19852 917 1 . 1 1 195 195 ALA CB C 195 19.441 19.441 18.349 1.092 19852 918 1 . 1 1 195 195 ALA H H 195 8.364 8.364 8.112 0.252 19852 919 1 . 1 1 196 196 GLN N N 196 107.322 107.322 118.867 -11.545 19852 920 1 . 1 1 196 196 GLN C C 196 176.273 176.273 178.544 -2.271 19852 921 1 . 1 1 196 196 GLN CA C 196 56.921 56.921 58.881 -1.960 19852 922 1 . 1 1 196 196 GLN CB C 196 29.983 29.983 28.495 1.488 19852 923 1 . 1 1 196 196 GLN H H 196 7.910 7.910 7.959 -0.049 19852 924 1 . 1 1 197 197 TYR N N 197 115.623 115.623 119.166 -3.543 19852 925 1 . 1 1 197 197 TYR CA C 197 67.462 67.462 59.034 8.428 19852 926 1 . 1 1 197 197 TYR CB C 197 41.695 41.695 37.750 3.945 19852 927 1 . 1 1 197 197 TYR H H 197 8.196 8.196 8.271 -0.075 19852 928 1 . 1 1 198 198 GLU N N 198 110.244 110.244 119.947 -9.703 19852 929 1 . 1 1 198 198 GLU C C 198 176.273 176.273 178.991 -2.718 19852 930 1 . 1 1 198 198 GLU CA C 198 53.407 53.407 59.470 -6.063 19852 931 1 . 1 1 198 198 GLU CB C 198 30.568 30.568 29.569 0.999 19852 932 1 . 1 1 198 198 GLU H H 198 7.523 7.523 8.287 -0.764 19852 933 1 . 1 1 199 199 HIS N N 199 118.611 118.611 120.162 -1.551 19852 934 1 . 1 1 199 199 HIS C C 199 175.686 175.686 177.241 -1.555 19852 935 1 . 1 1 199 199 HIS CA C 199 56.921 56.921 59.517 -2.596 19852 936 1 . 1 1 199 199 HIS CB C 199 28.226 28.226 29.840 -1.614 19852 937 1 . 1 1 199 199 HIS H H 199 8.512 8.512 8.385 0.127 19852 938 1 . 1 1 200 200 ASP N N 200 120.736 120.736 120.025 0.712 19852 939 1 . 1 1 200 200 ASP C C 200 176.273 176.273 178.761 -2.488 19852 940 1 . 1 1 200 200 ASP CA C 200 56.921 56.921 57.424 -0.503 19852 941 1 . 1 1 200 200 ASP CB C 200 40.524 40.524 40.476 0.048 19852 942 1 . 1 1 200 200 ASP H H 200 7.519 7.519 8.426 -0.907 19852 943 1 . 1 1 201 201 LEU N N 201 116.353 116.353 120.749 -4.396 19852 944 1 . 1 1 201 201 LEU C C 201 178.910 178.910 179.090 -0.180 19852 945 1 . 1 1 201 201 LEU CA C 201 61.606 61.606 57.762 3.844 19852 946 1 . 1 1 201 201 LEU CB C 201 41.109 41.109 41.999 -0.890 19852 947 1 . 1 1 201 201 LEU H H 201 7.722 7.722 8.017 -0.295 19852 948 1 . 1 1 202 202 GLU N N 202 118.080 118.080 119.041 -0.961 19852 949 1 . 1 1 202 202 GLU C C 202 176.566 176.566 179.162 -2.596 19852 950 1 . 1 1 202 202 GLU CA C 202 56.921 56.921 59.385 -2.464 19852 951 1 . 1 1 202 202 GLU CB C 202 30.568 30.568 29.605 0.963 19852 952 1 . 1 1 202 202 GLU H H 202 8.857 8.857 7.963 0.894 19852 953 1 . 1 1 203 203 VAL N N 203 129.369 129.369 119.307 10.062 19852 954 1 . 1 1 203 203 VAL C C 203 178.617 178.617 177.941 0.676 19852 955 1 . 1 1 203 203 VAL CA C 203 64.534 64.534 66.631 -2.097 19852 956 1 . 1 1 203 203 VAL CB C 203 27.640 27.640 31.573 -3.933 19852 957 1 . 1 1 203 203 VAL H H 203 9.283 9.283 8.090 1.193 19852 958 1 . 1 1 204 204 ALA N N 204 109.580 109.580 118.602 -9.022 19852 959 1 . 1 1 204 204 ALA C C 204 176.859 176.859 179.361 -2.503 19852 960 1 . 1 1 204 204 ALA CA C 204 54.579 54.579 52.837 1.742 19852 961 1 . 1 1 204 204 ALA CB C 204 18.270 18.270 18.522 -0.252 19852 962 1 . 1 1 204 204 ALA H H 204 8.528 8.528 7.634 0.894 19852 963 1 . 1 1 205 205 GLN N N 205 115.756 115.756 119.656 -3.900 19852 964 1 . 1 1 205 205 GLN C C 205 175.979 175.979 177.916 -1.937 19852 965 1 . 1 1 205 205 GLN CA C 205 48.137 48.137 58.477 -10.340 19852 966 1 . 1 1 205 205 GLN CB C 205 25.883 25.883 28.874 -2.991 19852 967 1 . 1 1 205 205 GLN H H 205 7.973 7.973 7.827 0.146 19852 968 1 . 1 1 206 206 THR N N 206 120.271 120.271 110.787 9.484 19852 969 1 . 1 1 206 206 THR C C 206 176.273 176.273 174.110 2.163 19852 970 1 . 1 1 206 206 THR CA C 206 67.462 67.462 62.028 5.434 19852 971 1 . 1 1 206 206 THR CB C 206 70.390 70.390 67.087 3.303 19852 972 1 . 1 1 206 206 THR H H 206 7.585 7.585 7.628 -0.043 19852 973 1 . 1 1 207 207 THR N N 207 111.970 111.970 111.230 0.740 19852 974 1 . 1 1 207 207 THR C C 207 176.566 176.566 173.906 2.660 19852 975 1 . 1 1 207 207 THR CA C 207 64.534 64.534 63.741 0.793 19852 976 1 . 1 1 207 207 THR CB C 207 72.733 72.733 66.542 6.191 19852 977 1 . 1 1 207 207 THR H H 207 7.468 7.468 7.752 -0.284 19852 978 1 . 1 1 208 208 ALA N N 208 115.623 115.623 121.920 -6.297 19852 979 1 . 1 1 208 208 ALA C C 208 168.947 168.947 177.123 -8.176 19852 980 1 . 1 1 208 208 ALA CA C 208 55.164 55.164 51.426 3.738 19852 981 1 . 1 1 208 208 ALA CB C 208 22.369 22.369 20.301 2.068 19852 982 1 . 1 1 208 208 ALA H H 208 7.390 7.390 7.661 -0.271 19852 983 1 . 1 1 209 209 LEU N N 209 117.814 117.814 117.735 0.079 19852 984 1 . 1 1 209 209 LEU C C 209 176.273 176.273 175.425 0.848 19852 985 1 . 1 1 209 209 LEU CA C 209 58.678 58.678 56.886 1.792 19852 986 1 . 1 1 209 209 LEU CB C 209 46.380 46.380 39.867 6.513 19852 987 1 . 1 1 209 209 LEU H H 209 7.652 7.652 8.296 -0.644 19852 988 1 . 1 1 210 210 PRO C C 210 176.566 176.566 177.110 -0.544 19852 989 1 . 1 1 210 210 PRO CA C 210 63.086 63.086 63.111 -0.025 19852 990 1 . 1 1 210 210 PRO CB C 210 31.146 31.146 32.008 -0.862 19852 991 1 . 1 1 211 211 ASP N N 211 121.134 121.134 125.009 -3.875 19852 992 1 . 1 1 211 211 ASP C C 211 176.273 176.273 178.381 -2.108 19852 993 1 . 1 1 211 211 ASP CA C 211 52.236 52.236 57.308 -5.072 19852 994 1 . 1 1 211 211 ASP CB C 211 42.281 42.281 40.710 1.571 19852 995 1 . 1 1 211 211 ASP H H 211 9.510 9.510 8.809 0.701 19852 996 1 . 1 1 212 212 GLU N N 212 131.162 131.162 118.721 12.440 19852 997 1 . 1 1 212 212 GLU C C 212 176.273 176.273 178.355 -2.082 19852 998 1 . 1 1 212 212 GLU CA C 212 55.164 55.164 58.966 -3.802 19852 999 1 . 1 1 212 212 GLU CB C 212 30.568 30.568 29.489 1.079 19852 1000 1 . 1 1 212 212 GLU H H 212 8.399 8.399 8.100 0.299 19852 1001 1 . 1 1 213 213 ASP N N 213 115.822 115.822 118.907 -3.086 19852 1002 1 . 1 1 213 213 ASP C C 213 174.807 174.807 178.821 -4.014 19852 1003 1 . 1 1 213 213 ASP CA C 213 51.065 51.065 56.816 -5.751 19852 1004 1 . 1 1 213 213 ASP CB C 213 41.109 41.109 40.530 0.579 19852 1005 1 . 1 1 213 213 ASP H H 213 10.699 10.699 7.610 3.089 19852 1006 1 . 1 1 214 214 ASP N N 214 112.369 112.369 119.168 -6.800 19852 1007 1 . 1 1 214 214 ASP C C 214 178.910 178.910 177.238 1.672 19852 1008 1 . 1 1 214 214 ASP CA C 214 54.579 54.579 56.174 -1.595 19852 1009 1 . 1 1 214 214 ASP CB C 214 39.353 39.353 40.938 -1.585 19852 1010 1 . 1 1 214 214 ASP H H 214 7.464 7.464 7.907 -0.443 19852 1011 1 . 1 1 215 215 ASP N N 215 127.244 127.244 118.431 8.813 19852 1012 1 . 1 1 215 215 ASP C C 215 176.859 176.859 177.075 -0.216 19852 1013 1 . 1 1 215 215 ASP CA C 215 54.579 54.579 56.436 -1.857 19852 1014 1 . 1 1 215 215 ASP CB C 215 40.524 40.524 41.132 -0.607 19852 1015 1 . 1 1 215 215 ASP H H 215 8.301 8.301 7.989 0.312 19852 stop_ save_