data_25554 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25554 _Entry.PDB_ID 2N1B 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 25554 _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 2 131.228 131.228 123.566 7.662 25554 2 1 1 . 1 1 2 2 ALA C C 2 187.031 187.031 177.791 9.240 25554 3 1 1 . 1 1 2 2 ALA CA C 2 53.407 53.407 53.321 0.086 25554 4 1 1 . 1 1 2 2 ALA CB C 2 20.027 20.027 18.766 1.261 25554 5 1 1 . 1 1 2 2 ALA H H 2 10.644 10.644 8.231 2.413 25554 6 1 1 . 1 1 3 3 ALA N N 3 124.521 124.521 121.717 2.804 25554 7 1 1 . 1 1 3 3 ALA C C 3 176.566 176.566 177.069 -0.503 25554 8 1 1 . 1 1 3 3 ALA CA C 3 49.894 49.894 51.372 -1.478 25554 9 1 1 . 1 1 3 3 ALA CB C 3 18.270 18.270 19.836 -1.566 25554 10 1 1 . 1 1 3 3 ALA H H 3 8.669 8.669 7.621 1.048 25554 11 1 1 . 1 1 4 4 GLN N N 4 118.080 118.080 121.185 -3.105 25554 12 1 1 . 1 1 4 4 GLN C C 4 176.273 176.273 177.616 -1.343 25554 13 1 1 . 1 1 4 4 GLN CA C 4 54.579 54.579 56.226 -1.647 25554 14 1 1 . 1 1 4 4 GLN CB C 4 27.054 27.054 29.153 -2.099 25554 15 1 1 . 1 1 4 4 GLN H H 4 8.919 8.919 8.453 0.466 25554 16 1 1 . 1 1 5 5 GLY N N 5 121.002 121.002 109.744 11.258 25554 17 1 1 . 1 1 5 5 GLY C C 5 181.877 181.877 174.520 7.357 25554 18 1 1 . 1 1 5 5 GLY CA C 5 45.794 45.794 44.857 0.937 25554 19 1 1 . 1 1 5 5 GLY H H 5 8.082 8.082 8.758 -0.676 25554 20 1 1 . 1 1 6 6 GLU N N 6 129.435 129.435 121.960 7.475 25554 21 1 1 . 1 1 6 6 GLU C C 6 176.566 176.566 175.365 1.201 25554 22 1 1 . 1 1 6 6 GLU CA C 6 56.336 56.336 55.241 1.095 25554 23 1 1 . 1 1 6 6 GLU CB C 6 28.811 28.811 29.844 -1.033 25554 24 1 1 . 1 1 6 6 GLU H H 6 9.267 9.267 8.259 1.008 25554 25 1 1 . 1 1 7 7 PRO C C 7 176.566 176.566 176.366 0.200 25554 26 1 1 . 1 1 7 7 PRO CA C 7 63.672 63.672 62.873 0.799 25554 27 1 1 . 1 1 7 7 PRO CB C 7 31.146 31.146 32.288 -1.142 25554 28 1 1 . 1 1 8 8 GLN N N 8 112.502 112.502 118.993 -6.491 25554 29 1 1 . 1 1 8 8 GLN C C 8 177.445 177.445 176.069 1.376 25554 30 1 1 . 1 1 8 8 GLN CA C 8 50.479 50.479 56.263 -5.784 25554 31 1 1 . 1 1 8 8 GLN CB C 8 28.811 28.811 29.157 -0.346 25554 32 1 1 . 1 1 8 8 GLN H H 8 6.220 6.220 8.278 -2.058 25554 33 1 1 . 1 1 9 9 VAL N N 9 117.416 117.416 124.199 -6.783 25554 34 1 1 . 1 1 9 9 VAL C C 9 178.324 178.324 174.555 3.769 25554 35 1 1 . 1 1 9 9 VAL CA C 9 63.363 63.363 62.347 1.016 25554 36 1 1 . 1 1 9 9 VAL CB C 9 34.668 34.668 32.274 2.394 25554 37 1 1 . 1 1 9 9 VAL H H 9 6.561 6.561 8.135 -1.574 25554 38 1 1 . 1 1 10 10 GLN N N 10 113.896 113.896 124.570 -10.674 25554 39 1 1 . 1 1 10 10 GLN C C 10 176.273 176.273 174.738 1.535 25554 40 1 1 . 1 1 10 10 GLN CA C 10 55.164 55.164 53.577 1.587 25554 41 1 1 . 1 1 10 10 GLN CB C 10 28.226 28.226 32.579 -4.353 25554 42 1 1 . 1 1 10 10 GLN H H 10 7.847 7.847 8.171 -0.324 25554 43 1 1 . 1 1 11 11 PHE N N 11 118.744 118.744 121.941 -3.197 25554 44 1 1 . 1 1 11 11 PHE C C 11 176.566 176.566 174.641 1.925 25554 45 1 1 . 1 1 11 11 PHE CA C 11 59.849 59.849 56.417 3.432 25554 46 1 1 . 1 1 11 11 PHE CB C 11 41.109 41.109 42.716 -1.607 25554 47 1 1 . 1 1 11 11 PHE H H 11 8.262 8.262 8.971 -0.709 25554 48 1 1 . 1 1 12 12 LYS N N 12 124.123 124.123 123.392 0.731 25554 49 1 1 . 1 1 12 12 LYS C C 12 177.152 177.152 174.851 2.301 25554 50 1 1 . 1 1 12 12 LYS CA C 12 57.507 57.507 56.152 1.355 25554 51 1 1 . 1 1 12 12 LYS CB C 12 28.811 28.811 33.139 -4.329 25554 52 1 1 . 1 1 12 12 LYS H H 12 8.415 8.415 8.929 -0.514 25554 53 1 1 . 1 1 13 13 LEU N N 13 112.103 112.103 127.814 -15.711 25554 54 1 1 . 1 1 13 13 LEU C C 13 177.738 177.738 174.697 3.041 25554 55 1 1 . 1 1 13 13 LEU CA C 13 54.579 54.579 53.209 1.370 25554 56 1 1 . 1 1 13 13 LEU CB C 13 42.866 42.866 45.643 -2.777 25554 57 1 1 . 1 1 13 13 LEU H H 13 6.905 6.905 8.643 -1.738 25554 58 1 1 . 1 1 14 14 VAL N N 14 127.310 127.310 127.294 0.016 25554 59 1 1 . 1 1 14 14 VAL C C 14 175.393 175.393 174.347 1.046 25554 60 1 1 . 1 1 14 14 VAL CA C 14 70.976 70.976 61.944 9.032 25554 61 1 1 . 1 1 14 14 VAL CB C 14 28.811 28.811 32.414 -3.603 25554 62 1 1 . 1 1 14 14 VAL H H 14 8.305 8.305 8.969 -0.664 25554 63 1 1 . 1 1 15 15 LEU N N 15 121.400 121.400 129.472 -8.072 25554 64 1 1 . 1 1 15 15 LEU C C 15 173.342 173.342 176.311 -2.969 25554 65 1 1 . 1 1 15 15 LEU CA C 15 56.336 56.336 53.543 2.793 25554 66 1 1 . 1 1 15 15 LEU CB C 15 41.695 41.695 43.039 -1.344 25554 67 1 1 . 1 1 15 15 LEU H H 15 7.785 7.785 8.458 -0.673 25554 68 1 1 . 1 1 16 16 VAL N N 16 121.267 121.267 116.486 4.781 25554 69 1 1 . 1 1 16 16 VAL C C 16 178.324 178.324 174.563 3.761 25554 70 1 1 . 1 1 16 16 VAL CA C 16 63.363 63.363 58.767 4.596 25554 71 1 1 . 1 1 16 16 VAL CB C 16 35.839 35.839 35.483 0.356 25554 72 1 1 . 1 1 16 16 VAL H H 16 8.935 8.935 8.918 0.017 25554 73 1 1 . 1 1 17 17 GLY N N 17 127.908 127.908 109.252 18.656 25554 74 1 1 . 1 1 17 17 GLY C C 17 174.514 174.514 171.994 2.520 25554 75 1 1 . 1 1 17 17 GLY CA C 17 42.281 42.281 45.275 -2.994 25554 76 1 1 . 1 1 17 17 GLY H H 17 9.682 9.682 7.800 1.882 25554 77 1 1 . 1 1 18 18 ASP N N 18 119.673 119.673 120.376 -0.703 25554 78 1 1 . 1 1 18 18 ASP C C 18 176.859 176.859 176.653 0.206 25554 79 1 1 . 1 1 18 18 ASP CA C 18 55.750 55.750 53.028 2.722 25554 80 1 1 . 1 1 18 18 ASP CB C 18 39.938 39.938 43.108 -3.170 25554 81 1 1 . 1 1 18 18 ASP H H 18 7.879 7.879 7.916 -0.037 25554 82 1 1 . 1 1 19 19 GLY N N 19 120.670 120.670 110.118 10.552 25554 83 1 1 . 1 1 19 19 GLY C C 19 178.324 178.324 174.899 3.425 25554 84 1 1 . 1 1 19 19 GLY CA C 19 42.281 42.281 45.729 -3.448 25554 85 1 1 . 1 1 19 19 GLY H H 19 8.825 8.825 8.642 0.183 25554 86 1 1 . 1 1 20 20 GLY N N 20 129.369 129.369 111.007 18.362 25554 87 1 1 . 1 1 20 20 GLY C C 20 174.221 174.221 175.704 -1.483 25554 88 1 1 . 1 1 20 20 GLY CA C 20 41.695 41.695 45.869 -4.174 25554 89 1 1 . 1 1 20 20 GLY H H 20 8.477 8.477 8.580 -0.103 25554 90 1 1 . 1 1 21 21 THR N N 21 114.560 114.560 111.910 2.650 25554 91 1 1 . 1 1 21 21 THR C C 21 178.617 178.617 174.947 3.670 25554 92 1 1 . 1 1 21 21 THR CA C 21 62.192 62.192 61.878 0.314 25554 93 1 1 . 1 1 21 21 THR CB C 21 70.390 70.390 69.234 1.156 25554 94 1 1 . 1 1 21 21 THR H H 21 8.196 8.196 7.892 0.304 25554 95 1 1 . 1 1 22 22 GLY N N 22 112.369 112.369 110.295 2.074 25554 96 1 1 . 1 1 22 22 GLY C C 22 184.807 184.807 175.081 9.726 25554 97 1 1 . 1 1 22 22 GLY CA C 22 45.209 45.209 45.577 -0.367 25554 98 1 1 . 1 1 22 22 GLY H H 22 6.772 6.772 8.285 -1.513 25554 99 1 1 . 1 1 23 23 LYS N N 23 124.056 124.056 119.883 4.173 25554 100 1 1 . 1 1 23 23 LYS C C 23 176.566 176.566 178.062 -1.496 25554 101 1 1 . 1 1 23 23 LYS CA C 23 56.921 56.921 59.643 -2.722 25554 102 1 1 . 1 1 23 23 LYS CB C 23 35.839 35.839 32.179 3.660 25554 103 1 1 . 1 1 23 23 LYS H H 23 8.180 8.180 7.860 0.320 25554 104 1 1 . 1 1 24 24 THR N N 24 114.627 114.627 114.515 0.112 25554 105 1 1 . 1 1 24 24 THR C C 24 178.324 178.324 176.581 1.743 25554 106 1 1 . 1 1 24 24 THR CA C 24 62.192 62.192 66.764 -4.572 25554 107 1 1 . 1 1 24 24 THR CB C 24 71.562 71.562 68.248 3.314 25554 108 1 1 . 1 1 24 24 THR H H 24 8.469 8.469 8.417 0.052 25554 109 1 1 . 1 1 25 25 THR N N 25 110.377 110.377 118.677 -8.300 25554 110 1 1 . 1 1 25 25 THR C C 25 178.324 178.324 175.881 2.443 25554 111 1 1 . 1 1 25 25 THR CA C 25 64.534 64.534 67.268 -2.734 25554 112 1 1 . 1 1 25 25 THR CB C 25 71.562 71.562 68.587 2.975 25554 113 1 1 . 1 1 25 25 THR H H 25 8.415 8.415 8.066 0.349 25554 114 1 1 . 1 1 26 26 PHE N N 26 114.295 114.295 122.771 -8.476 25554 115 1 1 . 1 1 26 26 PHE C C 26 174.514 174.514 177.138 -2.624 25554 116 1 1 . 1 1 26 26 PHE CA C 26 53.407 53.407 61.684 -8.277 25554 117 1 1 . 1 1 26 26 PHE CB C 26 40.524 40.524 39.065 1.459 25554 118 1 1 . 1 1 26 26 PHE H H 26 7.707 7.707 8.262 -0.555 25554 119 1 1 . 1 1 27 27 VAL N N 27 123.525 123.525 118.224 5.301 25554 120 1 1 . 1 1 27 27 VAL C C 27 178.031 178.031 178.113 -0.082 25554 121 1 1 . 1 1 27 27 VAL CA C 27 67.462 67.462 66.126 1.336 25554 122 1 1 . 1 1 27 27 VAL CB C 27 29.397 29.397 31.472 -2.075 25554 123 1 1 . 1 1 27 27 VAL H H 27 6.987 6.987 8.240 -1.253 25554 124 1 1 . 1 1 28 28 LYS N N 28 114.228 114.228 119.043 -4.815 25554 125 1 1 . 1 1 28 28 LYS C C 28 176.566 176.566 178.213 -1.647 25554 126 1 1 . 1 1 28 28 LYS CA C 28 58.092 58.092 58.790 -0.698 25554 127 1 1 . 1 1 28 28 LYS CB C 28 34.082 34.082 32.038 2.044 25554 128 1 1 . 1 1 28 28 LYS H H 28 7.429 7.429 8.104 -0.675 25554 129 1 1 . 1 1 29 29 ARG N N 29 112.037 112.037 115.075 -3.038 25554 130 1 1 . 1 1 29 29 ARG C C 29 174.221 174.221 176.685 -2.464 25554 131 1 1 . 1 1 29 29 ARG CA C 29 72.147 72.147 57.700 14.447 25554 132 1 1 . 1 1 29 29 ARG CB C 29 37.596 37.596 29.563 8.033 25554 133 1 1 . 1 1 29 29 ARG H H 29 6.803 6.803 7.291 -0.488 25554 134 1 1 . 1 1 30 30 HIS N N 30 122.396 122.396 119.561 2.835 25554 135 1 1 . 1 1 30 30 HIS C C 30 172.170 172.170 176.213 -4.043 25554 136 1 1 . 1 1 30 30 HIS CA C 30 51.651 51.651 55.559 -3.908 25554 137 1 1 . 1 1 30 30 HIS CB C 30 30.568 30.568 29.348 1.220 25554 138 1 1 . 1 1 30 30 HIS H H 30 7.644 7.644 7.071 0.573 25554 139 1 1 . 1 1 31 31 LEU N N 31 110.377 110.377 127.840 -17.463 25554 140 1 1 . 1 1 31 31 LEU C C 31 178.031 178.031 178.604 -0.573 25554 141 1 1 . 1 1 31 31 LEU CA C 31 55.164 55.164 57.860 -2.696 25554 142 1 1 . 1 1 31 31 LEU CB C 31 42.281 42.281 41.827 0.454 25554 143 1 1 . 1 1 31 31 LEU H H 31 7.894 7.894 8.407 -0.513 25554 144 1 1 . 1 1 32 32 THR N N 32 118.213 118.213 114.383 3.830 25554 145 1 1 . 1 1 32 32 THR C C 32 178.910 178.910 176.811 2.099 25554 146 1 1 . 1 1 32 32 THR CA C 32 63.949 63.949 67.009 -3.060 25554 147 1 1 . 1 1 32 32 THR CB C 32 72.733 72.733 68.499 4.234 25554 148 1 1 . 1 1 32 32 THR H H 32 7.570 7.570 8.046 -0.476 25554 149 1 1 . 1 1 33 33 GLY N N 33 127.841 127.841 109.705 18.136 25554 150 1 1 . 1 1 33 33 GLY C C 33 161.914 161.914 175.767 -13.853 25554 151 1 1 . 1 1 33 33 GLY CA C 33 42.866 42.866 46.886 -4.020 25554 152 1 1 . 1 1 33 33 GLY H H 33 9.662 9.662 8.986 0.676 25554 153 1 1 . 1 1 34 34 GLU N N 34 122.263 122.263 122.944 -0.681 25554 154 1 1 . 1 1 34 34 GLU C C 34 176.859 176.859 179.316 -2.457 25554 155 1 1 . 1 1 34 34 GLU CA C 34 51.651 51.651 58.233 -6.582 25554 156 1 1 . 1 1 34 34 GLU CB C 34 29.397 29.397 29.275 0.122 25554 157 1 1 . 1 1 34 34 GLU H H 34 7.140 7.140 7.763 -0.623 25554 158 1 1 . 1 1 35 35 PHE N N 35 111.838 111.838 117.919 -6.081 25554 159 1 1 . 1 1 35 35 PHE C C 35 174.221 174.221 177.691 -3.470 25554 160 1 1 . 1 1 35 35 PHE CA C 35 49.308 49.308 59.566 -10.258 25554 161 1 1 . 1 1 35 35 PHE CB C 35 41.695 41.695 38.812 2.883 25554 162 1 1 . 1 1 35 35 PHE H H 35 6.772 6.772 7.854 -1.082 25554 163 1 1 . 1 1 36 36 GLU N N 36 124.388 124.388 118.307 6.081 25554 164 1 1 . 1 1 36 36 GLU C C 36 176.859 176.859 174.644 2.215 25554 165 1 1 . 1 1 36 36 GLU CA C 36 58.092 58.092 55.436 2.656 25554 166 1 1 . 1 1 36 36 GLU CB C 36 30.568 30.568 28.521 2.047 25554 167 1 1 . 1 1 36 36 GLU H H 36 7.734 7.734 8.147 -0.413 25554 168 1 1 . 1 1 37 37 LYS N N 37 118.810 118.810 121.996 -3.186 25554 169 1 1 . 1 1 37 37 LYS C C 37 172.756 172.756 176.122 -3.366 25554 170 1 1 . 1 1 37 37 LYS CA C 37 48.137 48.137 55.099 -6.962 25554 171 1 1 . 1 1 37 37 LYS CB C 37 37.010 37.010 33.850 3.159 25554 172 1 1 . 1 1 37 37 LYS H H 37 8.509 8.509 7.241 1.268 25554 173 1 1 . 1 1 38 38 LYS N N 38 108.052 108.052 126.709 -18.657 25554 174 1 1 . 1 1 38 38 LYS C C 38 176.273 176.273 174.797 1.476 25554 175 1 1 . 1 1 38 38 LYS CA C 38 59.849 59.849 54.966 4.883 25554 176 1 1 . 1 1 38 38 LYS CB C 38 34.668 34.668 35.169 -0.501 25554 177 1 1 . 1 1 38 38 LYS H H 38 7.715 7.715 8.610 -0.895 25554 178 1 1 . 1 1 39 39 TYR N N 39 108.650 108.650 122.220 -13.570 25554 179 1 1 . 1 1 39 39 TYR C C 39 175.686 175.686 176.170 -0.484 25554 180 1 1 . 1 1 39 39 TYR CA C 39 61.020 61.020 58.116 2.904 25554 181 1 1 . 1 1 39 39 TYR CB C 39 36.424 36.424 39.512 -3.088 25554 182 1 1 . 1 1 39 39 TYR H H 39 7.362 7.362 8.711 -1.349 25554 183 1 1 . 1 1 40 40 VAL N N 40 117.947 117.947 125.933 -7.986 25554 184 1 1 . 1 1 40 40 VAL C C 40 175.393 175.393 175.424 -0.031 25554 185 1 1 . 1 1 40 40 VAL CA C 40 61.020 61.020 61.029 -0.009 25554 186 1 1 . 1 1 40 40 VAL CB C 40 31.154 31.154 32.711 -1.557 25554 187 1 1 . 1 1 40 40 VAL H H 40 8.442 8.442 8.938 -0.496 25554 188 1 1 . 1 1 42 42 THR N N 42 117.150 117.150 114.206 2.944 25554 189 1 1 . 1 1 42 42 THR C C 42 178.910 178.910 176.553 2.357 25554 190 1 1 . 1 1 42 42 THR CA C 42 60.435 60.435 64.516 -4.081 25554 191 1 1 . 1 1 42 42 THR CB C 42 70.390 70.390 68.656 1.734 25554 192 1 1 . 1 1 42 42 THR H H 42 8.192 8.192 8.023 0.169 25554 193 1 1 . 1 1 43 43 LEU N N 43 119.209 119.209 120.567 -1.358 25554 194 1 1 . 1 1 43 43 LEU C C 43 174.807 174.807 177.581 -2.774 25554 195 1 1 . 1 1 43 43 LEU CA C 43 57.507 57.507 55.720 1.787 25554 196 1 1 . 1 1 43 43 LEU CB C 43 42.866 42.866 41.972 0.894 25554 197 1 1 . 1 1 43 43 LEU H H 43 9.260 9.260 8.016 1.244 25554 198 1 1 . 1 1 44 44 GLY N N 44 114.361 114.361 106.744 7.617 25554 199 1 1 . 1 1 44 44 GLY C C 44 178.910 178.910 173.473 5.437 25554 200 1 1 . 1 1 44 44 GLY CA C 44 54.579 54.579 45.530 9.049 25554 201 1 1 . 1 1 44 44 GLY H H 44 6.979 6.979 7.912 -0.933 25554 202 1 1 . 1 1 45 45 VAL N N 45 110.244 110.244 119.069 -8.825 25554 203 1 1 . 1 1 45 45 VAL C C 45 174.807 174.807 174.005 0.802 25554 204 1 1 . 1 1 45 45 VAL CA C 45 63.363 63.363 60.300 3.062 25554 205 1 1 . 1 1 45 45 VAL CB C 45 17.099 17.099 35.975 -18.876 25554 206 1 1 . 1 1 45 45 VAL H H 45 8.309 8.309 7.900 0.409 25554 207 1 1 . 1 1 46 46 GLU N N 46 130.365 130.365 125.336 5.029 25554 208 1 1 . 1 1 46 46 GLU C C 46 176.859 176.859 175.579 1.280 25554 209 1 1 . 1 1 46 46 GLU CA C 46 55.164 55.164 53.887 1.277 25554 210 1 1 . 1 1 46 46 GLU CB C 46 32.325 32.325 31.049 1.276 25554 211 1 1 . 1 1 46 46 GLU H H 46 9.741 9.741 9.061 0.680 25554 212 1 1 . 1 1 47 47 VAL N N 47 115.623 115.623 124.718 -9.095 25554 213 1 1 . 1 1 47 47 VAL C C 47 178.324 178.324 174.984 3.340 25554 214 1 1 . 1 1 47 47 VAL CA C 47 63.363 63.363 60.816 2.547 25554 215 1 1 . 1 1 47 47 VAL CB C 47 32.911 32.911 33.329 -0.418 25554 216 1 1 . 1 1 47 47 VAL H H 47 7.339 7.339 8.593 -1.254 25554 217 1 1 . 1 1 48 48 HIS N N 48 129.236 129.236 126.748 2.488 25554 218 1 1 . 1 1 48 48 HIS C C 48 169.240 169.240 173.148 -3.908 25554 219 1 1 . 1 1 48 48 HIS CA C 48 49.894 49.894 53.276 -3.382 25554 220 1 1 . 1 1 48 48 HIS CB C 48 27.640 27.640 31.886 -4.246 25554 221 1 1 . 1 1 48 48 HIS H H 48 10.390 10.390 9.243 1.147 25554 222 1 1 . 1 1 49 49 PRO C C 49 176.273 176.273 175.593 0.680 25554 223 1 1 . 1 1 49 49 PRO CA C 49 62.500 62.500 62.875 -0.375 25554 224 1 1 . 1 1 49 49 PRO CB C 49 29.974 29.974 32.164 -2.190 25554 225 1 1 . 1 1 50 50 LEU N N 50 119.408 119.408 127.703 -8.295 25554 226 1 1 . 1 1 50 50 LEU C C 50 177.445 177.445 175.077 2.368 25554 227 1 1 . 1 1 50 50 LEU CA C 50 59.264 59.264 53.814 5.450 25554 228 1 1 . 1 1 50 50 LEU CB C 50 42.281 42.281 42.648 -0.367 25554 229 1 1 . 1 1 50 50 LEU H H 50 7.492 7.492 9.142 -1.650 25554 230 1 1 . 1 1 51 51 VAL N N 51 117.947 117.947 123.595 -5.648 25554 231 1 1 . 1 1 51 51 VAL C C 51 174.514 174.514 174.824 -0.310 25554 232 1 1 . 1 1 51 51 VAL CA C 51 64.534 64.534 61.602 2.932 25554 233 1 1 . 1 1 51 51 VAL CB C 51 37.010 37.010 33.147 3.863 25554 234 1 1 . 1 1 51 51 VAL H H 51 7.715 7.715 7.708 0.007 25554 235 1 1 . 1 1 52 52 PHE N N 52 124.853 124.853 126.685 -1.832 25554 236 1 1 . 1 1 52 52 PHE C C 52 175.100 175.100 174.224 0.876 25554 237 1 1 . 1 1 52 52 PHE CA C 52 56.336 56.336 56.423 -0.087 25554 238 1 1 . 1 1 52 52 PHE CB C 52 39.938 39.938 42.027 -2.089 25554 239 1 1 . 1 1 52 52 PHE H H 52 8.935 8.935 9.076 -0.141 25554 240 1 1 . 1 1 53 53 HIS N N 53 120.603 120.603 122.913 -2.310 25554 241 1 1 . 1 1 53 53 HIS C C 53 170.119 170.119 175.195 -5.076 25554 242 1 1 . 1 1 53 53 HIS CA C 53 55.164 55.164 55.368 -0.204 25554 243 1 1 . 1 1 53 53 HIS CB C 53 30.568 30.568 30.349 0.219 25554 244 1 1 . 1 1 53 53 HIS H H 53 8.356 8.356 8.383 -0.027 25554 245 1 1 . 1 1 54 54 THR N N 54 112.634 112.634 117.248 -4.614 25554 246 1 1 . 1 1 54 54 THR C C 54 178.910 178.910 176.429 2.481 25554 247 1 1 . 1 1 54 54 THR CA C 54 63.363 63.363 59.697 3.666 25554 248 1 1 . 1 1 54 54 THR CB C 54 72.733 72.733 71.473 1.260 25554 249 1 1 . 1 1 54 54 THR H H 54 7.574 7.574 9.176 -1.602 25554 250 1 1 . 1 1 55 55 ASN N N 55 131.095 131.095 121.365 9.730 25554 251 1 1 . 1 1 55 55 ASN C C 55 176.273 176.273 176.376 -0.103 25554 252 1 1 . 1 1 55 55 ASN CA C 55 51.065 51.065 55.765 -4.700 25554 253 1 1 . 1 1 55 55 ASN CB C 55 37.010 37.010 37.985 -0.975 25554 254 1 1 . 1 1 55 55 ASN H H 55 10.187 10.187 9.211 0.976 25554 255 1 1 . 1 1 56 56 ARG N N 56 122.064 122.064 119.652 2.412 25554 256 1 1 . 1 1 56 56 ARG C C 56 175.100 175.100 175.848 -0.748 25554 257 1 1 . 1 1 56 56 ARG CA C 56 61.606 61.606 56.126 5.480 25554 258 1 1 . 1 1 56 56 ARG CB C 56 32.911 32.911 30.445 2.466 25554 259 1 1 . 1 1 56 56 ARG H H 56 7.433 7.433 8.288 -0.855 25554 260 1 1 . 1 1 57 57 GLY N N 57 127.709 127.709 106.705 21.004 25554 261 1 1 . 1 1 57 57 GLY C C 57 175.979 175.979 171.487 4.492 25554 262 1 1 . 1 1 57 57 GLY CA C 57 42.281 42.281 44.447 -2.166 25554 263 1 1 . 1 1 57 57 GLY H H 57 9.373 9.373 8.191 1.182 25554 264 1 1 . 1 1 58 58 PRO C C 58 177.152 177.152 175.888 1.264 25554 265 1 1 . 1 1 58 58 PRO CA C 58 65.137 65.137 62.869 2.268 25554 266 1 1 . 1 1 58 58 PRO CB C 58 29.095 29.095 32.706 -3.611 25554 267 1 1 . 1 1 59 59 ILE N N 59 128.638 128.638 123.355 5.283 25554 268 1 1 . 1 1 59 59 ILE C C 59 175.979 175.979 174.945 1.034 25554 269 1 1 . 1 1 59 59 ILE CA C 59 65.120 65.120 60.229 4.891 25554 270 1 1 . 1 1 59 59 ILE CB C 59 40.524 40.524 41.708 -1.184 25554 271 1 1 . 1 1 59 59 ILE H H 59 8.794 8.794 8.909 -0.115 25554 272 1 1 . 1 1 60 60 LYS N N 60 115.756 115.756 125.341 -9.585 25554 273 1 1 . 1 1 60 60 LYS C C 60 175.979 175.979 175.692 0.287 25554 274 1 1 . 1 1 60 60 LYS CA C 60 56.921 56.921 54.509 2.412 25554 275 1 1 . 1 1 60 60 LYS CB C 60 32.325 32.325 35.157 -2.832 25554 276 1 1 . 1 1 60 60 LYS H H 60 7.253 7.253 9.031 -1.778 25554 277 1 1 . 1 1 61 61 PHE N N 61 120.670 120.670 123.495 -2.825 25554 278 1 1 . 1 1 61 61 PHE C C 61 175.393 175.393 175.364 0.029 25554 279 1 1 . 1 1 61 61 PHE CA C 61 57.507 57.507 56.618 0.888 25554 280 1 1 . 1 1 61 61 PHE CB C 61 41.109 41.109 41.166 -0.057 25554 281 1 1 . 1 1 61 61 PHE H H 61 7.515 7.515 9.545 -2.030 25554 282 1 1 . 1 1 62 62 ASN N N 62 119.076 119.076 124.155 -5.079 25554 283 1 1 . 1 1 62 62 ASN C C 62 175.100 175.100 174.889 0.211 25554 284 1 1 . 1 1 62 62 ASN CA C 62 53.407 53.407 52.778 0.630 25554 285 1 1 . 1 1 62 62 ASN CB C 62 38.767 38.767 38.651 0.116 25554 286 1 1 . 1 1 62 62 ASN H H 62 7.558 7.558 9.239 -1.681 25554 287 1 1 . 1 1 63 63 VAL N N 63 106.127 106.127 124.427 -18.300 25554 288 1 1 . 1 1 63 63 VAL C C 63 175.100 175.100 175.571 -0.471 25554 289 1 1 . 1 1 63 63 VAL CA C 63 61.020 61.020 63.005 -1.985 25554 290 1 1 . 1 1 63 63 VAL CB C 63 31.154 31.154 32.659 -1.505 25554 291 1 1 . 1 1 63 63 VAL H H 63 8.113 8.113 8.976 -0.863 25554 292 1 1 . 1 1 64 64 TRP N N 64 129.302 129.302 130.015 -0.713 25554 293 1 1 . 1 1 64 64 TRP C C 64 177.152 177.152 175.608 1.544 25554 294 1 1 . 1 1 64 64 TRP CA C 64 59.264 59.264 54.331 4.933 25554 295 1 1 . 1 1 64 64 TRP CB C 64 29.397 29.397 29.564 -0.167 25554 296 1 1 . 1 1 64 64 TRP H H 64 8.970 8.970 9.368 -0.398 25554 297 1 1 . 1 1 65 65 ASP N N 65 119.607 119.607 123.836 -4.229 25554 298 1 1 . 1 1 65 65 ASP C C 65 174.514 174.514 175.802 -1.288 25554 299 1 1 . 1 1 65 65 ASP CA C 65 55.164 55.164 52.254 2.910 25554 300 1 1 . 1 1 65 65 ASP CB C 65 41.109 41.109 44.440 -3.331 25554 301 1 1 . 1 1 65 65 ASP H H 65 8.638 8.638 9.288 -0.650 25554 302 1 1 . 1 1 66 66 THR N N 66 122.463 122.463 114.420 8.043 25554 303 1 1 . 1 1 66 66 THR C C 66 178.617 178.617 174.650 3.967 25554 304 1 1 . 1 1 66 66 THR CA C 66 68.048 68.048 61.785 6.263 25554 305 1 1 . 1 1 66 66 THR CB C 66 71.562 71.562 69.831 1.732 25554 306 1 1 . 1 1 66 66 THR H H 66 8.293 8.293 8.429 -0.136 25554 307 1 1 . 1 1 67 67 ALA N N 67 104.865 104.865 125.097 -20.232 25554 308 1 1 . 1 1 67 67 ALA C C 67 177.738 177.738 177.783 -0.045 25554 309 1 1 . 1 1 67 67 ALA CA C 67 48.722 48.722 53.647 -4.925 25554 310 1 1 . 1 1 67 67 ALA CB C 67 14.171 14.171 19.173 -5.002 25554 311 1 1 . 1 1 67 67 ALA H H 67 8.657 8.657 8.386 0.271 25554 312 1 1 . 1 1 68 68 GLY N N 68 115.357 115.357 104.444 10.913 25554 313 1 1 . 1 1 68 68 GLY C C 68 189.533 189.533 175.652 13.881 25554 314 1 1 . 1 1 68 68 GLY CA C 68 45.209 45.209 44.743 0.466 25554 315 1 1 . 1 1 68 68 GLY H H 68 10.969 10.969 8.368 2.601 25554 316 1 1 . 1 1 69 69 GLN N N 69 110.111 110.111 119.580 -9.469 25554 317 1 1 . 1 1 69 69 GLN C C 69 176.859 176.859 177.412 -0.553 25554 318 1 1 . 1 1 69 69 GLN CA C 69 55.750 55.750 58.477 -2.727 25554 319 1 1 . 1 1 69 69 GLN CB C 69 27.640 27.640 28.362 -0.722 25554 320 1 1 . 1 1 69 69 GLN H H 69 8.344 8.344 8.782 -0.438 25554 321 1 1 . 1 1 70 70 GLU N N 70 114.826 114.826 118.935 -4.109 25554 322 1 1 . 1 1 70 70 GLU C C 70 176.273 176.273 178.024 -1.751 25554 323 1 1 . 1 1 70 70 GLU CA C 70 57.507 57.507 58.914 -1.407 25554 324 1 1 . 1 1 70 70 GLU CB C 70 28.811 28.811 29.395 -0.584 25554 325 1 1 . 1 1 70 70 GLU H H 70 9.651 9.651 8.638 1.013 25554 326 1 1 . 1 1 71 71 LYS N N 71 116.685 116.685 117.748 -1.063 25554 327 1 1 . 1 1 71 71 LYS C C 71 175.979 175.979 178.769 -2.790 25554 328 1 1 . 1 1 71 71 LYS CA C 71 48.722 48.722 58.660 -9.938 25554 329 1 1 . 1 1 71 71 LYS CB C 71 37.010 37.010 32.494 4.516 25554 330 1 1 . 1 1 71 71 LYS H H 71 8.712 8.712 7.632 1.080 25554 331 1 1 . 1 1 72 72 PHE N N 72 114.959 114.959 118.837 -3.878 25554 332 1 1 . 1 1 72 72 PHE C C 72 175.686 175.686 175.876 -0.190 25554 333 1 1 . 1 1 72 72 PHE CA C 72 56.336 56.336 59.518 -3.182 25554 334 1 1 . 1 1 72 72 PHE CB C 72 36.424 36.424 40.249 -3.825 25554 335 1 1 . 1 1 72 72 PHE H H 72 7.965 7.965 7.802 0.163 25554 336 1 1 . 1 1 73 73 GLY N N 73 117.084 117.084 104.376 12.708 25554 337 1 1 . 1 1 73 73 GLY C C 73 168.068 168.068 172.375 -4.307 25554 338 1 1 . 1 1 73 73 GLY CA C 73 42.281 42.281 44.707 -2.426 25554 339 1 1 . 1 1 73 73 GLY H H 73 7.609 7.609 8.158 -0.549 25554 340 1 1 . 1 1 74 74 GLY N N 74 120.537 120.537 106.312 14.225 25554 341 1 1 . 1 1 74 74 GLY C C 74 174.514 174.514 174.749 -0.235 25554 342 1 1 . 1 1 74 74 GLY CA C 74 44.037 44.037 44.506 -0.469 25554 343 1 1 . 1 1 74 74 GLY H H 74 9.326 9.326 8.368 0.958 25554 344 1 1 . 1 1 75 75 LEU N N 75 127.177 127.177 123.489 3.688 25554 345 1 1 . 1 1 75 75 LEU C C 75 178.617 178.617 177.442 1.175 25554 346 1 1 . 1 1 75 75 LEU CA C 75 53.407 53.407 54.967 -1.560 25554 347 1 1 . 1 1 75 75 LEU CB C 75 42.281 42.281 42.523 -0.242 25554 348 1 1 . 1 1 75 75 LEU H H 75 7.628 7.628 8.925 -1.297 25554 349 1 1 . 1 1 76 76 ARG N N 76 116.486 116.486 122.247 -5.761 25554 350 1 1 . 1 1 76 76 ARG C C 76 176.859 176.859 177.230 -0.371 25554 351 1 1 . 1 1 76 76 ARG CA C 76 59.264 59.264 56.286 2.978 25554 352 1 1 . 1 1 76 76 ARG CB C 76 31.154 31.154 31.303 -0.149 25554 353 1 1 . 1 1 76 76 ARG H H 76 7.143 7.143 8.453 -1.310 25554 354 1 1 . 1 1 77 77 ASP N N 77 129.236 129.236 121.799 7.437 25554 355 1 1 . 1 1 77 77 ASP C C 77 177.152 177.152 178.558 -1.406 25554 356 1 1 . 1 1 77 77 ASP CA C 77 52.822 52.822 57.662 -4.840 25554 357 1 1 . 1 1 77 77 ASP CB C 77 41.695 41.695 40.528 1.167 25554 358 1 1 . 1 1 77 77 ASP H H 77 8.947 8.947 8.936 0.011 25554 359 1 1 . 1 1 78 78 GLY N N 78 127.244 127.244 107.938 19.306 25554 360 1 1 . 1 1 78 78 GLY C C 78 173.928 173.928 175.276 -1.348 25554 361 1 1 . 1 1 78 78 GLY CA C 78 44.623 44.623 47.096 -2.473 25554 362 1 1 . 1 1 78 78 GLY H H 78 8.219 8.219 8.492 -0.273 25554 363 1 1 . 1 1 79 79 TYR N N 79 120.537 120.537 120.992 -0.455 25554 364 1 1 . 1 1 79 79 TYR C C 79 176.273 176.273 177.004 -0.731 25554 365 1 1 . 1 1 79 79 TYR CA C 79 58.678 58.678 60.954 -2.276 25554 366 1 1 . 1 1 79 79 TYR CB C 79 40.524 40.524 38.533 1.991 25554 367 1 1 . 1 1 79 79 TYR H H 79 8.563 8.563 7.766 0.797 25554 368 1 1 . 1 1 80 80 TYR N N 80 115.822 115.822 116.188 -0.366 25554 369 1 1 . 1 1 80 80 TYR C C 80 175.979 175.979 176.765 -0.786 25554 370 1 1 . 1 1 80 80 TYR CA C 80 58.092 58.092 61.205 -3.113 25554 371 1 1 . 1 1 80 80 TYR CB C 80 38.181 38.181 38.837 -0.656 25554 372 1 1 . 1 1 80 80 TYR H H 80 7.194 7.194 7.591 -0.397 25554 373 1 1 . 1 1 81 81 ILE N N 81 120.072 120.072 118.684 1.388 25554 374 1 1 . 1 1 81 81 ILE C C 81 177.445 177.445 175.911 1.534 25554 375 1 1 . 1 1 81 81 ILE CA C 81 67.462 67.462 63.168 4.294 25554 376 1 1 . 1 1 81 81 ILE CB C 81 41.109 41.109 37.907 3.201 25554 377 1 1 . 1 1 81 81 ILE H H 81 8.837 8.837 7.938 0.899 25554 378 1 1 . 1 1 82 82 GLN N N 82 109.580 109.580 118.756 -9.176 25554 379 1 1 . 1 1 82 82 GLN C C 82 177.152 177.152 174.614 2.538 25554 380 1 1 . 1 1 82 82 GLN CA C 82 56.336 56.336 56.382 -0.046 25554 381 1 1 . 1 1 82 82 GLN CB C 82 24.126 24.126 26.175 -2.049 25554 382 1 1 . 1 1 82 82 GLN H H 82 8.493 8.493 8.740 -0.247 25554 383 1 1 . 1 1 83 83 ALA N N 83 109.713 109.713 121.708 -11.995 25554 384 1 1 . 1 1 83 83 ALA C C 83 175.979 175.979 176.753 -0.774 25554 385 1 1 . 1 1 83 83 ALA CA C 83 54.579 54.579 51.657 2.922 25554 386 1 1 . 1 1 83 83 ALA CB C 83 16.513 16.513 18.822 -2.309 25554 387 1 1 . 1 1 83 83 ALA H H 83 6.306 6.306 7.400 -1.094 25554 388 1 1 . 1 1 84 84 GLN N N 84 131.380 131.380 122.588 8.792 25554 389 1 1 . 1 1 84 84 GLN C C 84 175.686 175.686 175.926 -0.240 25554 390 1 1 . 1 1 84 84 GLN CA C 84 51.065 51.065 58.148 -7.083 25554 391 1 1 . 1 1 84 84 GLN CB C 84 32.325 32.325 29.717 2.608 25554 392 1 1 . 1 1 84 84 GLN H H 84 11.169 11.169 8.673 2.496 25554 393 1 1 . 1 1 85 85 CYS N N 85 124.322 124.322 112.084 12.238 25554 394 1 1 . 1 1 85 85 CYS C C 85 173.049 173.049 172.745 0.304 25554 395 1 1 . 1 1 85 85 CYS CA C 85 57.507 57.507 55.605 1.903 25554 396 1 1 . 1 1 85 85 CYS CB C 85 35.253 35.253 31.339 3.914 25554 397 1 1 . 1 1 85 85 CYS H H 85 8.602 8.602 8.019 0.583 25554 398 1 1 . 1 1 86 86 ALA N N 86 114.295 114.295 123.712 -9.417 25554 399 1 1 . 1 1 86 86 ALA CA C 86 57.507 57.507 50.385 7.122 25554 400 1 1 . 1 1 86 86 ALA CB C 86 21.784 21.784 22.669 -0.885 25554 401 1 1 . 1 1 86 86 ALA H H 86 6.897 6.897 9.145 -2.248 25554 402 1 1 . 1 1 87 87 ILE N N 87 120.670 120.670 120.936 -0.266 25554 403 1 1 . 1 1 87 87 ILE C C 87 173.928 173.928 174.844 -0.916 25554 404 1 1 . 1 1 87 87 ILE CA C 87 61.020 61.020 59.757 1.263 25554 405 1 1 . 1 1 87 87 ILE CB C 87 39.938 39.938 41.146 -1.208 25554 406 1 1 . 1 1 87 87 ILE H H 87 8.282 8.282 8.728 -0.446 25554 407 1 1 . 1 1 88 88 ILE N N 88 120.205 120.205 127.674 -7.469 25554 408 1 1 . 1 1 88 88 ILE C C 88 173.635 173.635 175.091 -1.456 25554 409 1 1 . 1 1 88 88 ILE CA C 88 64.534 64.534 59.939 4.595 25554 410 1 1 . 1 1 88 88 ILE CB C 88 37.596 37.596 40.375 -2.779 25554 411 1 1 . 1 1 88 88 ILE H H 88 5.528 5.528 9.000 -3.472 25554 412 1 1 . 1 1 89 89 MET N N 89 119.209 119.209 126.636 -7.427 25554 413 1 1 . 1 1 89 89 MET C C 89 176.566 176.566 175.361 1.205 25554 414 1 1 . 1 1 89 89 MET CA C 89 56.921 56.921 54.080 2.841 25554 415 1 1 . 1 1 89 89 MET CB C 89 34.668 34.668 34.774 -0.106 25554 416 1 1 . 1 1 89 89 MET H H 89 8.164 8.164 8.930 -0.766 25554 417 1 1 . 1 1 90 90 PHE N N 90 121.134 121.134 119.077 2.057 25554 418 1 1 . 1 1 90 90 PHE C C 90 175.393 175.393 172.857 2.536 25554 419 1 1 . 1 1 90 90 PHE CA C 90 60.435 60.435 55.624 4.811 25554 420 1 1 . 1 1 90 90 PHE CB C 90 38.767 38.767 42.019 -3.252 25554 421 1 1 . 1 1 90 90 PHE H H 90 9.334 9.334 8.868 0.466 25554 422 1 1 . 1 1 91 91 ASP N N 91 125.185 125.185 121.251 3.934 25554 423 1 1 . 1 1 91 91 ASP C C 91 176.566 176.566 177.984 -1.418 25554 424 1 1 . 1 1 91 91 ASP CA C 91 52.822 52.822 51.858 0.964 25554 425 1 1 . 1 1 91 91 ASP CB C 91 39.938 39.938 42.365 -2.427 25554 426 1 1 . 1 1 91 91 ASP H H 91 9.056 9.056 8.376 0.680 25554 427 1 1 . 1 1 92 92 VAL N N 92 115.158 115.158 122.081 -6.923 25554 428 1 1 . 1 1 92 92 VAL C C 92 173.342 173.342 177.491 -4.149 25554 429 1 1 . 1 1 92 92 VAL CA C 92 64.534 64.534 64.831 -0.297 25554 430 1 1 . 1 1 92 92 VAL CB C 92 37.596 37.596 31.424 6.171 25554 431 1 1 . 1 1 92 92 VAL H H 92 7.738 7.738 8.572 -0.834 25554 432 1 1 . 1 1 93 93 THR N N 93 112.302 112.302 116.424 -4.122 25554 433 1 1 . 1 1 93 93 THR C C 93 177.152 177.152 174.744 2.408 25554 434 1 1 . 1 1 93 93 THR CA C 93 64.534 64.534 65.760 -1.226 25554 435 1 1 . 1 1 93 93 THR CB C 93 72.147 72.147 69.174 2.973 25554 436 1 1 . 1 1 93 93 THR H H 93 7.269 7.269 8.940 -1.671 25554 437 1 1 . 1 1 94 94 SER N N 94 122.263 122.263 115.986 6.277 25554 438 1 1 . 1 1 94 94 SER C C 94 163.965 163.965 174.545 -10.580 25554 439 1 1 . 1 1 94 94 SER CA C 94 59.849 59.849 56.502 3.347 25554 440 1 1 . 1 1 94 94 SER CB C 94 62.192 62.192 64.175 -1.983 25554 441 1 1 . 1 1 94 94 SER H H 94 7.628 7.628 7.724 -0.096 25554 442 1 1 . 1 1 95 95 ARG N N 95 113.099 113.099 126.471 -13.372 25554 443 1 1 . 1 1 95 95 ARG C C 95 176.273 176.273 178.133 -1.860 25554 444 1 1 . 1 1 95 95 ARG CA C 95 53.407 53.407 59.420 -6.013 25554 445 1 1 . 1 1 95 95 ARG CB C 95 31.154 31.154 29.961 1.193 25554 446 1 1 . 1 1 95 95 ARG H H 95 8.102 8.102 9.092 -0.990 25554 447 1 1 . 1 1 96 96 VAL N N 96 124.787 124.787 118.064 6.723 25554 448 1 1 . 1 1 96 96 VAL C C 96 178.031 178.031 177.530 0.501 25554 449 1 1 . 1 1 96 96 VAL CA C 96 68.634 68.634 65.960 2.674 25554 450 1 1 . 1 1 96 96 VAL CB C 96 24.126 24.126 31.360 -7.234 25554 451 1 1 . 1 1 96 96 VAL H H 96 9.146 9.146 8.343 0.803 25554 452 1 1 . 1 1 97 97 THR N N 97 111.970 111.970 114.068 -2.098 25554 453 1 1 . 1 1 97 97 THR C C 97 178.031 178.031 176.444 1.587 25554 454 1 1 . 1 1 97 97 THR CA C 97 63.949 63.949 65.589 -1.640 25554 455 1 1 . 1 1 97 97 THR CB C 97 70.390 70.390 69.057 1.333 25554 456 1 1 . 1 1 97 97 THR H H 97 7.984 7.984 7.630 0.354 25554 457 1 1 . 1 1 98 98 TYR N N 98 113.232 113.232 123.107 -9.875 25554 458 1 1 . 1 1 98 98 TYR C C 98 176.273 176.273 177.495 -1.222 25554 459 1 1 . 1 1 98 98 TYR H H 98 7.605 7.605 7.817 -0.212 25554 460 1 1 . 1 1 99 99 LYS N N 99 121.998 121.998 119.146 2.852 25554 461 1 1 . 1 1 99 99 LYS C C 99 174.221 174.221 178.886 -4.665 25554 462 1 1 . 1 1 99 99 LYS CA C 99 59.264 59.264 59.457 -0.193 25554 463 1 1 . 1 1 99 99 LYS CB C 99 34.668 34.668 32.659 2.009 25554 464 1 1 . 1 1 99 99 LYS H H 99 8.129 8.129 7.997 0.132 25554 465 1 1 . 1 1 100 100 ASN N N 100 111.970 111.970 117.842 -5.872 25554 466 1 1 . 1 1 100 100 ASN C C 100 175.979 175.979 177.790 -1.811 25554 467 1 1 . 1 1 100 100 ASN CA C 100 53.407 53.407 55.384 -1.977 25554 468 1 1 . 1 1 100 100 ASN CB C 100 37.596 37.596 38.489 -0.893 25554 469 1 1 . 1 1 100 100 ASN H H 100 5.778 5.778 8.046 -2.268 25554 470 1 1 . 1 1 101 101 VAL N N 101 118.877 118.877 121.171 -2.294 25554 471 1 1 . 1 1 101 101 VAL C C 101 173.635 173.635 175.028 -1.393 25554 472 1 1 . 1 1 101 101 VAL CA C 101 62.777 62.777 68.975 -6.198 25554 473 1 1 . 1 1 101 101 VAL CB C 101 27.054 27.054 29.702 -2.648 25554 474 1 1 . 1 1 101 101 VAL H H 101 7.370 7.370 8.152 -0.782 25554 475 1 1 . 1 1 102 102 PRO C C 102 176.566 176.566 178.837 -2.271 25554 476 1 1 . 1 1 102 102 PRO CA C 102 62.500 62.500 66.430 -3.929 25554 477 1 1 . 1 1 102 102 PRO CB C 102 30.853 30.853 30.869 -0.016 25554 478 1 1 . 1 1 103 103 ASN N N 103 122.728 122.728 117.010 5.718 25554 479 1 1 . 1 1 103 103 ASN C C 103 175.100 175.100 177.509 -2.409 25554 480 1 1 . 1 1 103 103 ASN CA C 103 54.579 54.579 55.684 -1.105 25554 481 1 1 . 1 1 103 103 ASN CB C 103 38.767 38.767 37.629 1.138 25554 482 1 1 . 1 1 103 103 ASN H H 103 7.879 7.879 8.008 -0.129 25554 483 1 1 . 1 1 104 104 TRP N N 104 132.158 132.158 121.158 11.000 25554 484 1 1 . 1 1 104 104 TRP C C 104 176.273 176.273 178.790 -2.517 25554 485 1 1 . 1 1 104 104 TRP CA C 104 60.435 60.435 61.221 -0.785 25554 486 1 1 . 1 1 104 104 TRP CB C 104 29.983 29.983 29.370 0.613 25554 487 1 1 . 1 1 104 104 TRP H H 104 9.541 9.541 8.001 1.540 25554 488 1 1 . 1 1 105 105 HIS N N 105 120.869 120.869 118.901 1.968 25554 489 1 1 . 1 1 105 105 HIS C C 105 177.738 177.738 177.464 0.274 25554 490 1 1 . 1 1 105 105 HIS H H 105 6.971 6.971 8.562 -1.591 25554 491 1 1 . 1 1 106 106 ARG N N 106 126.314 126.314 119.270 7.044 25554 492 1 1 . 1 1 106 106 ARG C C 106 176.566 176.566 178.359 -1.793 25554 493 1 1 . 1 1 106 106 ARG CA C 106 62.777 62.777 59.830 2.947 25554 494 1 1 . 1 1 106 106 ARG CB C 106 29.397 29.397 30.042 -0.645 25554 495 1 1 . 1 1 106 106 ARG H H 106 7.507 7.507 8.448 -0.941 25554 496 1 1 . 1 1 107 107 ASP N N 107 119.076 119.076 120.074 -0.998 25554 497 1 1 . 1 1 107 107 ASP C C 107 176.566 176.566 178.478 -1.912 25554 498 1 1 . 1 1 107 107 ASP CA C 107 55.164 55.164 57.229 -2.065 25554 499 1 1 . 1 1 107 107 ASP CB C 107 41.695 41.695 40.392 1.303 25554 500 1 1 . 1 1 107 107 ASP H H 107 9.076 9.076 7.921 1.155 25554 501 1 1 . 1 1 108 108 LEU N N 108 113.299 113.299 121.347 -8.048 25554 502 1 1 . 1 1 108 108 LEU C C 108 176.273 176.273 178.142 -1.869 25554 503 1 1 . 1 1 108 108 LEU CA C 108 59.264 59.264 57.776 1.488 25554 504 1 1 . 1 1 108 108 LEU CB C 108 48.722 48.722 41.977 6.745 25554 505 1 1 . 1 1 108 108 LEU H H 108 6.725 6.725 7.983 -1.258 25554 506 1 1 . 1 1 109 109 VAL N N 109 121.267 121.267 119.021 2.246 25554 507 1 1 . 1 1 109 109 VAL C C 109 175.393 175.393 178.319 -2.926 25554 508 1 1 . 1 1 109 109 VAL CA C 109 63.949 63.949 65.748 -1.799 25554 509 1 1 . 1 1 109 109 VAL CB C 109 32.911 32.911 31.438 1.473 25554 510 1 1 . 1 1 109 109 VAL H H 109 8.763 8.763 8.058 0.705 25554 511 1 1 . 1 1 110 110 ARG N N 110 112.900 112.900 119.745 -6.845 25554 512 1 1 . 1 1 110 110 ARG C C 110 176.273 176.273 178.072 -1.799 25554 513 1 1 . 1 1 110 110 ARG CA C 110 57.507 57.507 59.089 -1.582 25554 514 1 1 . 1 1 110 110 ARG CB C 110 30.568 30.568 30.191 0.377 25554 515 1 1 . 1 1 110 110 ARG H H 110 7.241 7.241 7.578 -0.337 25554 516 1 1 . 1 1 111 111 VAL N N 111 115.556 115.556 116.792 -1.236 25554 517 1 1 . 1 1 111 111 VAL C C 111 177.445 177.445 176.436 1.009 25554 518 1 1 . 1 1 111 111 VAL CA C 111 59.849 59.849 65.264 -5.415 25554 519 1 1 . 1 1 111 111 VAL CB C 111 32.911 32.911 32.644 0.267 25554 520 1 1 . 1 1 111 111 VAL H H 111 7.566 7.566 7.371 0.195 25554 521 1 1 . 1 1 112 112 CYS N N 112 114.295 114.295 119.079 -4.784 25554 522 1 1 . 1 1 112 112 CYS C C 112 169.826 169.826 172.987 -3.161 25554 523 1 1 . 1 1 112 112 CYS CA C 112 57.507 57.507 58.060 -0.553 25554 524 1 1 . 1 1 112 112 CYS CB C 112 35.839 35.839 29.923 5.916 25554 525 1 1 . 1 1 112 112 CYS H H 112 7.425 7.425 7.924 -0.499 25554 526 1 1 . 1 1 113 113 GLU N N 113 116.486 116.486 125.429 -8.943 25554 527 1 1 . 1 1 113 113 GLU C C 113 176.566 176.566 175.617 0.949 25554 528 1 1 . 1 1 113 113 GLU CA C 113 69.219 69.219 56.178 13.041 25554 529 1 1 . 1 1 113 113 GLU CB C 113 30.568 30.568 31.073 -0.505 25554 530 1 1 . 1 1 113 113 GLU H H 113 7.241 7.241 8.607 -1.366 25554 531 1 1 . 1 1 114 114 ASN N N 114 129.302 129.302 117.390 11.912 25554 532 1 1 . 1 1 114 114 ASN C C 114 175.100 175.100 174.732 0.368 25554 533 1 1 . 1 1 114 114 ASN CA C 114 52.236 52.236 54.046 -1.810 25554 534 1 1 . 1 1 114 114 ASN CB C 114 39.938 39.938 37.248 2.690 25554 535 1 1 . 1 1 114 114 ASN H H 114 8.919 8.919 8.699 0.220 25554 536 1 1 . 1 1 115 115 ILE N N 115 110.443 110.443 113.950 -3.507 25554 537 1 1 . 1 1 115 115 ILE C C 115 175.100 175.100 174.707 0.393 25554 538 1 1 . 1 1 115 115 ILE CA C 115 65.705 65.705 58.726 6.979 25554 539 1 1 . 1 1 115 115 ILE CB C 115 39.353 39.353 38.493 0.860 25554 540 1 1 . 1 1 115 115 ILE H H 115 9.287 9.287 7.402 1.885 25554 541 1 1 . 1 1 116 116 PRO C C 116 175.979 175.979 175.589 0.390 25554 542 1 1 . 1 1 116 116 PRO CA C 116 63.086 63.086 62.927 0.159 25554 543 1 1 . 1 1 116 116 PRO CB C 116 29.681 29.681 32.442 -2.761 25554 544 1 1 . 1 1 117 117 ILE N N 117 123.591 123.591 125.267 -1.676 25554 545 1 1 . 1 1 117 117 ILE C C 117 174.807 174.807 175.243 -0.436 25554 546 1 1 . 1 1 117 117 ILE CA C 117 66.291 66.291 60.069 6.221 25554 547 1 1 . 1 1 117 117 ILE CB C 117 38.767 38.767 41.559 -2.792 25554 548 1 1 . 1 1 117 117 ILE H H 117 7.781 7.781 8.705 -0.924 25554 549 1 1 . 1 1 118 118 VAL N N 118 119.009 119.009 126.040 -7.031 25554 550 1 1 . 1 1 118 118 VAL C C 118 178.324 178.324 174.345 3.979 25554 551 1 1 . 1 1 118 118 VAL CA C 118 62.777 62.777 60.505 2.272 25554 552 1 1 . 1 1 118 118 VAL CB C 118 31.154 31.154 34.527 -3.373 25554 553 1 1 . 1 1 118 118 VAL H H 118 8.767 8.767 8.838 -0.071 25554 554 1 1 . 1 1 119 119 LEU N N 119 119.408 119.408 129.047 -9.639 25554 555 1 1 . 1 1 119 119 LEU C C 119 178.031 178.031 174.764 3.267 25554 556 1 1 . 1 1 119 119 LEU CA C 119 42.866 42.866 53.380 -10.514 25554 557 1 1 . 1 1 119 119 LEU CB C 119 38.767 38.767 44.533 -5.766 25554 558 1 1 . 1 1 119 119 LEU H H 119 7.734 7.734 8.852 -1.118 25554 559 1 1 . 1 1 120 120 CYS N N 120 113.232 113.232 125.805 -12.573 25554 560 1 1 . 1 1 120 120 CYS C C 120 178.031 178.031 173.537 4.494 25554 561 1 1 . 1 1 120 120 CYS H H 120 8.317 8.317 9.337 -1.020 25554 562 1 1 . 1 1 121 121 GLY N N 121 117.349 117.349 112.035 5.314 25554 563 1 1 . 1 1 121 121 GLY C C 121 176.851 176.851 172.391 4.460 25554 564 1 1 . 1 1 121 121 GLY CA C 121 41.109 41.109 43.516 -2.407 25554 565 1 1 . 1 1 121 121 GLY H H 121 7.515 7.515 8.743 -1.228 25554 566 1 1 . 1 1 122 122 ASN N N 122 125.318 125.318 124.736 0.582 25554 567 1 1 . 1 1 122 122 ASN C C 122 175.686 175.686 175.126 0.560 25554 568 1 1 . 1 1 122 122 ASN CA C 122 50.479 50.479 50.618 -0.139 25554 569 1 1 . 1 1 122 122 ASN CB C 122 39.353 39.353 41.671 -2.318 25554 570 1 1 . 1 1 122 122 ASN H H 122 9.162 9.162 8.410 0.752 25554 571 1 1 . 1 1 123 123 LYS N N 123 124.920 124.920 117.011 7.909 25554 572 1 1 . 1 1 123 123 LYS C C 123 176.566 176.566 177.085 -0.519 25554 573 1 1 . 1 1 123 123 LYS CA C 123 70.976 70.976 57.378 13.598 25554 574 1 1 . 1 1 123 123 LYS CB C 123 35.253 35.253 30.549 4.704 25554 575 1 1 . 1 1 123 123 LYS H H 123 8.086 8.086 8.984 -0.898 25554 576 1 1 . 1 1 124 124 VAL N N 124 125.517 125.517 113.193 12.324 25554 577 1 1 . 1 1 124 124 VAL C C 124 177.738 177.738 175.985 1.753 25554 578 1 1 . 1 1 124 124 VAL CA C 124 62.777 62.777 64.095 -1.318 25554 579 1 1 . 1 1 124 124 VAL CB C 124 33.496 33.496 31.453 2.043 25554 580 1 1 . 1 1 124 124 VAL H H 124 9.483 9.483 7.870 1.613 25554 581 1 1 . 1 1 125 125 ASP N N 125 119.607 119.607 119.903 -0.296 25554 582 1 1 . 1 1 125 125 ASP C C 125 176.566 176.566 177.121 -0.555 25554 583 1 1 . 1 1 125 125 ASP CA C 125 55.750 55.750 56.276 -0.526 25554 584 1 1 . 1 1 125 125 ASP CB C 125 40.524 40.524 40.842 -0.318 25554 585 1 1 . 1 1 125 125 ASP H H 125 7.875 7.875 7.683 0.192 25554 586 1 1 . 1 1 126 126 ILE N N 126 116.088 116.088 120.979 -4.891 25554 587 1 1 . 1 1 126 126 ILE C C 126 177.152 177.152 176.331 0.821 25554 588 1 1 . 1 1 126 126 ILE CA C 126 66.291 66.291 61.364 4.927 25554 589 1 1 . 1 1 126 126 ILE CB C 126 39.353 39.353 38.612 0.741 25554 590 1 1 . 1 1 126 126 ILE H H 126 7.511 7.511 7.365 0.146 25554 591 1 1 . 1 1 127 127 LYS N N 127 117.681 117.681 123.787 -6.106 25554 592 1 1 . 1 1 127 127 LYS C C 127 177.152 177.152 177.119 0.033 25554 593 1 1 . 1 1 127 127 LYS CA C 127 57.507 57.507 58.312 -0.805 25554 594 1 1 . 1 1 127 127 LYS CB C 127 31.154 31.154 32.729 -1.575 25554 595 1 1 . 1 1 127 127 LYS H H 127 8.059 8.059 8.326 -0.267 25554 596 1 1 . 1 1 128 128 ASP N N 128 118.279 118.279 119.644 -1.365 25554 597 1 1 . 1 1 128 128 ASP C C 128 176.566 176.566 175.208 1.358 25554 598 1 1 . 1 1 128 128 ASP CA C 128 53.407 53.407 53.287 0.120 25554 599 1 1 . 1 1 128 128 ASP CB C 128 40.524 40.524 40.220 0.304 25554 600 1 1 . 1 1 128 128 ASP H H 128 7.241 7.241 8.069 -0.828 25554 601 1 1 . 1 1 129 129 ARG N N 129 118.943 118.943 126.883 -7.940 25554 602 1 1 . 1 1 129 129 ARG C C 129 177.738 177.738 176.054 1.684 25554 603 1 1 . 1 1 129 129 ARG CA C 129 45.794 45.794 55.489 -9.695 25554 604 1 1 . 1 1 129 129 ARG CB C 129 31.154 31.154 30.767 0.387 25554 605 1 1 . 1 1 129 129 ARG H H 129 8.423 8.423 7.990 0.433 25554 606 1 1 . 1 1 130 130 LYS N N 130 109.381 109.381 124.326 -14.945 25554 607 1 1 . 1 1 130 130 LYS C C 130 176.566 176.566 176.640 -0.074 25554 608 1 1 . 1 1 130 130 LYS CA C 130 55.164 55.164 57.847 -2.683 25554 609 1 1 . 1 1 130 130 LYS CB C 130 36.424 36.424 32.969 3.455 25554 610 1 1 . 1 1 130 130 LYS H H 130 7.296 7.296 8.625 -1.329 25554 611 1 1 . 1 1 131 131 VAL N N 131 110.377 110.377 119.850 -9.473 25554 612 1 1 . 1 1 131 131 VAL C C 131 178.617 178.617 175.021 3.596 25554 613 1 1 . 1 1 131 131 VAL CA C 131 65.705 65.705 61.330 4.375 25554 614 1 1 . 1 1 131 131 VAL CB C 131 35.839 35.839 31.764 4.075 25554 615 1 1 . 1 1 131 131 VAL H H 131 9.283 9.283 8.532 0.751 25554 616 1 1 . 1 1 132 132 LYS N N 132 110.310 110.310 126.855 -16.545 25554 617 1 1 . 1 1 132 132 LYS C C 132 176.273 176.273 177.696 -1.423 25554 618 1 1 . 1 1 132 132 LYS CA C 132 59.849 59.849 55.800 4.049 25554 619 1 1 . 1 1 132 132 LYS CB C 132 35.253 35.253 33.471 1.782 25554 620 1 1 . 1 1 132 132 LYS H H 132 9.709 9.709 7.688 2.021 25554 621 1 1 . 1 1 133 133 ALA N N 133 134.349 134.349 123.988 10.361 25554 622 1 1 . 1 1 133 133 ALA CA C 133 51.065 51.065 55.011 -3.946 25554 623 1 1 . 1 1 133 133 ALA CB C 133 12.999 12.999 18.621 -5.622 25554 624 1 1 . 1 1 133 133 ALA H H 133 6.322 6.322 8.876 -2.554 25554 625 1 1 . 1 1 134 134 LYS N N 134 117.615 117.615 115.942 1.673 25554 626 1 1 . 1 1 134 134 LYS C C 134 176.859 176.859 176.847 0.012 25554 627 1 1 . 1 1 134 134 LYS CA C 134 55.750 55.750 58.974 -3.224 25554 628 1 1 . 1 1 134 134 LYS CB C 134 54.579 54.579 32.171 22.408 25554 629 1 1 . 1 1 134 134 LYS H H 134 6.549 6.549 8.318 -1.769 25554 630 1 1 . 1 1 135 135 SER N N 135 109.314 109.314 110.662 -1.348 25554 631 1 1 . 1 1 135 135 SER C C 135 173.635 173.635 174.603 -0.968 25554 632 1 1 . 1 1 135 135 SER CA C 135 56.336 56.336 57.922 -1.586 25554 633 1 1 . 1 1 135 135 SER CB C 135 63.949 63.949 63.120 0.829 25554 634 1 1 . 1 1 135 135 SER H H 135 7.840 7.840 7.505 0.335 25554 635 1 1 . 1 1 136 136 ILE N N 136 124.123 124.123 125.469 -1.346 25554 636 1 1 . 1 1 136 136 ILE C C 136 175.100 175.100 175.881 -0.781 25554 637 1 1 . 1 1 136 136 ILE CA C 136 68.634 68.634 59.262 9.372 25554 638 1 1 . 1 1 136 136 ILE CB C 136 43.452 43.452 34.512 8.940 25554 639 1 1 . 1 1 136 136 ILE H H 136 8.098 8.098 7.161 0.937 25554 640 1 1 . 1 1 137 137 VAL N N 137 113.232 113.232 119.000 -5.768 25554 641 1 1 . 1 1 137 137 VAL C C 137 176.859 176.859 176.895 -0.036 25554 642 1 1 . 1 1 137 137 VAL CA C 137 64.534 64.534 64.189 0.345 25554 643 1 1 . 1 1 137 137 VAL CB C 137 34.082 34.082 31.400 2.682 25554 644 1 1 . 1 1 137 137 VAL H H 137 7.711 7.711 7.483 0.228 25554 645 1 1 . 1 1 138 138 PHE N N 138 118.279 118.279 119.991 -1.712 25554 646 1 1 . 1 1 138 138 PHE C C 138 175.393 175.393 177.394 -2.001 25554 647 1 1 . 1 1 138 138 PHE CA C 138 58.092 58.092 59.770 -1.678 25554 648 1 1 . 1 1 138 138 PHE CB C 138 39.353 39.353 37.502 1.851 25554 649 1 1 . 1 1 138 138 PHE H H 138 8.317 8.317 7.572 0.745 25554 650 1 1 . 1 1 139 139 HIS N N 139 107.654 107.654 116.928 -9.274 25554 651 1 1 . 1 1 139 139 HIS C C 139 175.979 175.979 177.264 -1.285 25554 652 1 1 . 1 1 139 139 HIS CA C 139 53.993 53.993 58.870 -4.877 25554 653 1 1 . 1 1 139 139 HIS CB C 139 28.811 28.811 29.239 -0.428 25554 654 1 1 . 1 1 139 139 HIS H H 139 8.016 8.016 8.131 -0.115 25554 655 1 1 . 1 1 140 140 ARG N N 140 117.084 117.084 120.297 -3.213 25554 656 1 1 . 1 1 140 140 ARG C C 140 176.859 176.859 178.013 -1.154 25554 657 1 1 . 1 1 140 140 ARG CA C 140 57.507 57.507 58.386 -0.879 25554 658 1 1 . 1 1 140 140 ARG CB C 140 31.739 31.739 29.566 2.173 25554 659 1 1 . 1 1 140 140 ARG H H 140 8.763 8.763 6.763 2.000 25554 660 1 1 . 1 1 141 141 LYS N N 141 115.623 115.623 118.015 -2.392 25554 661 1 1 . 1 1 141 141 LYS C C 141 173.635 173.635 178.677 -5.042 25554 662 1 1 . 1 1 141 141 LYS CA C 141 58.092 58.092 58.688 -0.596 25554 663 1 1 . 1 1 141 141 LYS CB C 141 33.496 33.496 32.359 1.137 25554 664 1 1 . 1 1 141 141 LYS H H 141 7.449 7.449 7.404 0.045 25554 665 1 1 . 1 1 142 142 LYS N N 142 114.162 114.162 115.733 -1.571 25554 666 1 1 . 1 1 142 142 LYS C C 142 175.979 175.979 176.591 -0.612 25554 667 1 1 . 1 1 142 142 LYS CA C 142 51.065 51.065 56.959 -5.894 25554 668 1 1 . 1 1 142 142 LYS CB C 142 34.668 34.668 32.846 1.822 25554 669 1 1 . 1 1 142 142 LYS H H 142 8.982 8.982 7.873 1.109 25554 670 1 1 . 1 1 143 143 ASN N N 143 112.103 112.103 113.998 -1.895 25554 671 1 1 . 1 1 143 143 ASN C C 143 175.100 175.100 175.012 0.088 25554 672 1 1 . 1 1 143 143 ASN CA C 143 53.407 53.407 53.926 -0.519 25554 673 1 1 . 1 1 143 143 ASN CB C 143 39.938 39.938 36.985 2.953 25554 674 1 1 . 1 1 143 143 ASN H H 143 7.402 7.402 8.389 -0.987 25554 675 1 1 . 1 1 144 144 LEU N N 144 118.810 118.810 118.929 -0.119 25554 676 1 1 . 1 1 144 144 LEU CA C 144 53.993 53.993 55.689 -1.696 25554 677 1 1 . 1 1 144 144 LEU CB C 144 42.866 42.866 42.584 0.282 25554 678 1 1 . 1 1 144 144 LEU H H 144 7.793 7.793 7.616 0.177 25554 679 1 1 . 1 1 145 145 GLN N N 145 119.607 119.607 120.430 -0.823 25554 680 1 1 . 1 1 145 145 GLN C C 145 176.859 176.859 173.911 2.948 25554 681 1 1 . 1 1 145 145 GLN CA C 145 55.164 55.164 53.731 1.433 25554 682 1 1 . 1 1 145 145 GLN CB C 145 29.983 29.983 30.450 -0.467 25554 683 1 1 . 1 1 145 145 GLN H H 145 7.014 7.014 7.887 -0.873 25554 684 1 1 . 1 1 146 146 TYR N N 146 119.275 119.275 127.187 -7.912 25554 685 1 1 . 1 1 146 146 TYR C C 146 174.807 174.807 174.340 0.467 25554 686 1 1 . 1 1 146 146 TYR CA C 146 62.777 62.777 56.230 6.547 25554 687 1 1 . 1 1 146 146 TYR CB C 146 41.109 41.109 40.196 0.913 25554 688 1 1 . 1 1 146 146 TYR H H 146 9.350 9.350 8.204 1.146 25554 689 1 1 . 1 1 147 147 TYR N N 147 123.658 123.658 126.058 -2.400 25554 690 1 1 . 1 1 147 147 TYR C C 147 177.738 177.738 174.006 3.732 25554 691 1 1 . 1 1 147 147 TYR CA C 147 58.092 58.092 56.209 1.883 25554 692 1 1 . 1 1 147 147 TYR CB C 147 39.938 39.938 42.003 -2.065 25554 693 1 1 . 1 1 147 147 TYR H H 147 8.340 8.340 8.557 -0.217 25554 694 1 1 . 1 1 148 148 ASP N N 148 121.267 121.267 123.441 -2.174 25554 695 1 1 . 1 1 148 148 ASP C C 148 176.859 176.859 175.094 1.765 25554 696 1 1 . 1 1 148 148 ASP CA C 148 54.579 54.579 54.920 -0.341 25554 697 1 1 . 1 1 148 148 ASP CB C 148 41.109 41.109 41.461 -0.351 25554 698 1 1 . 1 1 148 148 ASP H H 148 8.911 8.911 8.471 0.440 25554 699 1 1 . 1 1 149 149 ILE N N 149 119.607 119.607 124.062 -4.455 25554 700 1 1 . 1 1 149 149 ILE C C 149 174.807 174.807 174.700 0.107 25554 701 1 1 . 1 1 149 149 ILE CA C 149 61.020 61.020 60.285 0.735 25554 702 1 1 . 1 1 149 149 ILE CB C 149 39.353 39.353 42.617 -3.264 25554 703 1 1 . 1 1 149 149 ILE H H 149 8.712 8.712 8.877 -0.165 25554 704 1 1 . 1 1 150 150 SER N N 150 117.349 117.349 122.086 -4.737 25554 705 1 1 . 1 1 150 150 SER C C 150 175.686 175.686 174.073 1.613 25554 706 1 1 . 1 1 150 150 SER CA C 150 60.435 60.435 56.745 3.690 25554 707 1 1 . 1 1 150 150 SER CB C 150 62.192 62.192 64.791 -2.599 25554 708 1 1 . 1 1 150 150 SER H H 150 8.454 8.454 9.041 -0.587 25554 709 1 1 . 1 1 151 151 ALA N N 151 131.162 131.162 130.778 0.384 25554 710 1 1 . 1 1 151 151 ALA C C 151 160.742 160.742 179.249 -18.507 25554 711 1 1 . 1 1 151 151 ALA CA C 151 53.993 53.993 55.747 -1.754 25554 712 1 1 . 1 1 151 151 ALA CB C 151 22.369 22.369 18.846 3.523 25554 713 1 1 . 1 1 151 151 ALA H H 151 10.640 10.640 9.089 1.551 25554 714 1 1 . 1 1 152 152 LYS N N 152 121.400 121.400 117.784 3.616 25554 715 1 1 . 1 1 152 152 LYS C C 152 174.221 174.221 178.113 -3.892 25554 716 1 1 . 1 1 152 152 LYS CA C 152 59.849 59.849 59.736 0.113 25554 717 1 1 . 1 1 152 152 LYS CB C 152 34.668 34.668 32.313 2.355 25554 718 1 1 . 1 1 152 152 LYS H H 152 9.099 9.099 8.736 0.363 25554 719 1 1 . 1 1 153 153 SER N N 153 115.212 115.212 111.383 3.829 25554 720 1 1 . 1 1 153 153 SER C C 153 177.152 177.152 174.236 2.916 25554 721 1 1 . 1 1 153 153 SER CA C 153 62.192 62.192 57.136 5.056 25554 722 1 1 . 1 1 153 153 SER CB C 153 66.291 66.291 63.167 3.124 25554 723 1 1 . 1 1 153 153 SER H H 153 8.935 8.935 7.871 1.064 25554 724 1 1 . 1 1 154 154 ASN N N 154 119.341 119.341 117.981 1.360 25554 725 1 1 . 1 1 154 154 ASN C C 154 175.979 175.979 173.860 2.119 25554 726 1 1 . 1 1 154 154 ASN CA C 154 49.894 49.894 54.632 -4.738 25554 727 1 1 . 1 1 154 154 ASN CB C 154 39.353 39.353 36.418 2.935 25554 728 1 1 . 1 1 154 154 ASN H H 154 7.488 7.488 7.791 -0.303 25554 729 1 1 . 1 1 155 155 TYR N N 155 113.498 113.498 122.590 -9.092 25554 730 1 1 . 1 1 155 155 TYR C C 155 173.928 173.928 175.058 -1.130 25554 731 1 1 . 1 1 155 155 TYR CA C 155 56.336 56.336 58.639 -2.303 25554 732 1 1 . 1 1 155 155 TYR CB C 155 37.596 37.596 39.051 -1.455 25554 733 1 1 . 1 1 155 155 TYR H H 155 6.486 6.486 8.601 -2.115 25554 734 1 1 . 1 1 156 156 ASN N N 156 122.396 122.396 123.348 -0.952 25554 735 1 1 . 1 1 156 156 ASN C C 156 175.979 175.979 174.238 1.741 25554 736 1 1 . 1 1 156 156 ASN CA C 156 51.651 51.651 53.837 -2.186 25554 737 1 1 . 1 1 156 156 ASN CB C 156 38.767 38.767 36.310 2.457 25554 738 1 1 . 1 1 156 156 ASN H H 156 8.352 8.352 8.746 -0.394 25554 739 1 1 . 1 1 157 157 PHE N N 157 123.459 123.459 113.747 9.712 25554 740 1 1 . 1 1 157 157 PHE C C 157 174.221 174.221 176.777 -2.556 25554 741 1 1 . 1 1 157 157 PHE CA C 157 57.507 57.507 59.997 -2.490 25554 742 1 1 . 1 1 157 157 PHE CB C 157 39.353 39.353 38.797 0.556 25554 743 1 1 . 1 1 157 157 PHE H H 157 7.429 7.429 8.315 -0.886 25554 744 1 1 . 1 1 158 158 GLU N N 158 112.568 112.568 120.386 -7.818 25554 745 1 1 . 1 1 158 158 GLU C C 158 176.566 176.566 178.229 -1.663 25554 746 1 1 . 1 1 158 158 GLU CA C 158 72.147 72.147 58.694 13.453 25554 747 1 1 . 1 1 158 158 GLU CB C 158 27.640 27.640 27.912 -0.272 25554 748 1 1 . 1 1 158 158 GLU H H 158 7.495 7.495 7.924 -0.429 25554 749 1 1 . 1 1 159 159 LYS N N 159 113.232 113.232 120.550 -7.318 25554 750 1 1 . 1 1 159 159 LYS C C 159 176.566 176.566 175.511 1.055 25554 751 1 1 . 1 1 159 159 LYS CA C 159 53.993 53.993 60.692 -6.699 25554 752 1 1 . 1 1 159 159 LYS CB C 159 33.496 33.496 29.974 3.522 25554 753 1 1 . 1 1 159 159 LYS H H 159 6.862 6.862 8.104 -1.242 25554 754 1 1 . 1 1 160 160 PRO C C 160 176.273 176.273 178.695 -2.422 25554 755 1 1 . 1 1 160 160 PRO CA C 160 64.258 64.258 65.756 -1.498 25554 756 1 1 . 1 1 160 160 PRO CB C 160 32.318 32.318 31.167 1.151 25554 757 1 1 . 1 1 161 161 PHE N N 161 120.271 120.271 115.954 4.317 25554 758 1 1 . 1 1 161 161 PHE C C 161 175.100 175.100 177.742 -2.642 25554 759 1 1 . 1 1 161 161 PHE CA C 161 56.336 56.336 61.710 -5.374 25554 760 1 1 . 1 1 161 161 PHE CB C 161 39.353 39.353 38.093 1.260 25554 761 1 1 . 1 1 161 161 PHE H H 161 8.074 8.074 7.354 0.720 25554 762 1 1 . 1 1 162 162 LEU N N 162 110.177 110.177 120.710 -10.533 25554 763 1 1 . 1 1 162 162 LEU C C 162 176.273 176.273 177.990 -1.717 25554 764 1 1 . 1 1 162 162 LEU CA C 162 55.750 55.750 57.968 -2.218 25554 765 1 1 . 1 1 162 162 LEU CB C 162 44.037 44.037 41.130 2.907 25554 766 1 1 . 1 1 162 162 LEU H H 162 7.527 7.527 8.303 -0.776 25554 767 1 1 . 1 1 163 163 TRP N N 163 123.525 123.525 120.890 2.635 25554 768 1 1 . 1 1 163 163 TRP C C 163 177.152 177.152 178.220 -1.068 25554 769 1 1 . 1 1 163 163 TRP CA C 163 61.606 61.606 62.439 -0.833 25554 770 1 1 . 1 1 163 163 TRP CB C 163 28.811 28.811 29.543 -0.732 25554 771 1 1 . 1 1 163 163 TRP H H 163 7.476 7.476 8.111 -0.635 25554 772 1 1 . 1 1 164 164 LEU N N 164 119.740 119.740 118.691 1.049 25554 773 1 1 . 1 1 164 164 LEU C C 164 175.686 175.686 179.038 -3.352 25554 774 1 1 . 1 1 164 164 LEU CA C 164 61.020 61.020 57.868 3.152 25554 775 1 1 . 1 1 164 164 LEU CB C 164 45.794 45.794 41.456 4.338 25554 776 1 1 . 1 1 164 164 LEU H H 164 9.412 9.412 8.030 1.382 25554 777 1 1 . 1 1 165 165 ALA N N 165 118.013 118.013 121.758 -3.745 25554 778 1 1 . 1 1 165 165 ALA C C 165 165.723 165.723 179.289 -13.566 25554 779 1 1 . 1 1 165 165 ALA CA C 165 52.236 52.236 55.274 -3.038 25554 780 1 1 . 1 1 165 165 ALA CB C 165 21.784 21.784 18.491 3.293 25554 781 1 1 . 1 1 165 165 ALA H H 165 7.707 7.707 8.550 -0.843 25554 782 1 1 . 1 1 166 166 ARG N N 166 122.994 122.994 117.984 5.010 25554 783 1 1 . 1 1 166 166 ARG C C 166 175.979 175.979 178.857 -2.878 25554 784 1 1 . 1 1 166 166 ARG CA C 166 49.308 49.308 59.304 -9.996 25554 785 1 1 . 1 1 166 166 ARG CB C 166 29.397 29.397 29.980 -0.583 25554 786 1 1 . 1 1 166 166 ARG H H 166 8.692 8.692 8.042 0.650 25554 787 1 1 . 1 1 167 167 LYS N N 167 112.568 112.568 119.524 -6.956 25554 788 1 1 . 1 1 167 167 LYS C C 167 176.273 176.273 179.269 -2.996 25554 789 1 1 . 1 1 167 167 LYS CA C 167 58.092 58.092 58.538 -0.446 25554 790 1 1 . 1 1 167 167 LYS CB C 167 34.668 34.668 31.595 3.073 25554 791 1 1 . 1 1 167 167 LYS H H 167 6.819 6.819 7.516 -0.697 25554 792 1 1 . 1 1 168 168 LEU N N 168 114.959 114.959 119.464 -4.505 25554 793 1 1 . 1 1 168 168 LEU C C 168 177.738 177.738 179.070 -1.332 25554 794 1 1 . 1 1 168 168 LEU CA C 168 56.921 56.921 57.381 -0.460 25554 795 1 1 . 1 1 168 168 LEU CB C 168 41.695 41.695 41.561 0.134 25554 796 1 1 . 1 1 168 168 LEU H H 168 7.269 7.269 7.775 -0.506 25554 797 1 1 . 1 1 169 169 ILE N N 169 124.986 124.986 116.818 8.168 25554 798 1 1 . 1 1 169 169 ILE C C 169 171.877 171.877 177.647 -5.770 25554 799 1 1 . 1 1 169 169 ILE CA C 169 68.048 68.048 63.233 4.815 25554 800 1 1 . 1 1 169 169 ILE CB C 169 39.353 39.353 38.772 0.581 25554 801 1 1 . 1 1 169 169 ILE H H 169 8.915 8.915 8.076 0.839 25554 802 1 1 . 1 1 170 170 GLY N N 170 113.099 113.099 107.030 6.069 25554 803 1 1 . 1 1 170 170 GLY C C 170 162.496 162.496 174.033 -11.537 25554 804 1 1 . 1 1 170 170 GLY CA C 170 44.037 44.037 45.005 -0.968 25554 805 1 1 . 1 1 170 170 GLY H H 170 6.686 6.686 8.133 -1.447 25554 806 1 1 . 1 1 171 171 ASP N N 171 113.232 113.232 121.309 -8.077 25554 807 1 1 . 1 1 171 171 ASP C C 171 178.910 178.910 175.758 3.152 25554 808 1 1 . 1 1 171 171 ASP CA C 171 50.479 50.479 50.396 0.083 25554 809 1 1 . 1 1 171 171 ASP CB C 171 41.109 41.109 41.567 -0.458 25554 810 1 1 . 1 1 171 171 ASP H H 171 6.815 6.815 7.828 -1.013 25554 811 1 1 . 1 1 172 172 PRO C C 172 176.566 176.566 177.565 -0.999 25554 812 1 1 . 1 1 172 172 PRO CA C 172 63.965 63.965 64.449 -0.484 25554 813 1 1 . 1 1 172 172 PRO CB C 172 31.732 31.732 32.069 -0.337 25554 814 1 1 . 1 1 173 173 ASN N N 173 109.779 109.779 115.941 -6.162 25554 815 1 1 . 1 1 173 173 ASN C C 173 175.979 175.979 175.759 0.220 25554 816 1 1 . 1 1 173 173 ASN CA C 173 54.579 54.579 54.344 0.235 25554 817 1 1 . 1 1 173 173 ASN CB C 173 36.424 36.424 38.446 -2.022 25554 818 1 1 . 1 1 173 173 ASN H H 173 8.016 8.016 8.084 -0.068 25554 819 1 1 . 1 1 174 174 LEU N N 174 109.248 109.248 122.800 -13.552 25554 820 1 1 . 1 1 174 174 LEU C C 174 176.566 176.566 175.553 1.013 25554 821 1 1 . 1 1 174 174 LEU CA C 174 56.336 56.336 56.222 0.114 25554 822 1 1 . 1 1 174 174 LEU CB C 174 44.037 44.037 42.406 1.631 25554 823 1 1 . 1 1 174 174 LEU H H 174 7.871 7.871 7.388 0.483 25554 824 1 1 . 1 1 175 175 GLU N N 175 125.185 125.185 124.189 0.996 25554 825 1 1 . 1 1 175 175 GLU C C 175 177.445 177.445 175.033 2.412 25554 826 1 1 . 1 1 175 175 GLU CA C 175 76.247 76.247 54.251 21.996 25554 827 1 1 . 1 1 175 175 GLU CB C 175 28.811 28.811 33.564 -4.753 25554 828 1 1 . 1 1 175 175 GLU H H 175 9.127 9.127 9.341 -0.214 25554 829 1 1 . 1 1 176 176 PHE N N 176 136.873 136.873 120.048 16.825 25554 830 1 1 . 1 1 176 176 PHE C C 176 178.617 178.617 175.687 2.930 25554 831 1 1 . 1 1 176 176 PHE CA C 176 59.264 59.264 57.795 1.469 25554 832 1 1 . 1 1 176 176 PHE CB C 176 44.623 44.623 38.579 6.044 25554 833 1 1 . 1 1 176 176 PHE H H 176 10.058 10.058 8.640 1.418 25554 834 1 1 . 1 1 177 177 VAL N N 177 118.877 118.877 124.583 -5.706 25554 835 1 1 . 1 1 177 177 VAL C C 177 177.445 177.445 176.524 0.921 25554 836 1 1 . 1 1 177 177 VAL CA C 177 62.777 62.777 64.944 -2.167 25554 837 1 1 . 1 1 177 177 VAL CB C 177 34.668 34.668 32.396 2.272 25554 838 1 1 . 1 1 177 177 VAL H H 177 7.789 7.789 9.279 -1.490 25554 839 1 1 . 1 1 178 178 ALA N N 178 128.904 128.904 120.725 8.179 25554 840 1 1 . 1 1 178 178 ALA CA C 178 57.507 57.507 51.071 6.436 25554 841 1 1 . 1 1 178 178 ALA CB C 178 19.441 19.441 21.629 -2.188 25554 842 1 1 . 1 1 178 178 ALA H H 178 7.566 7.566 7.863 -0.297 25554 843 1 1 . 1 1 179 179 MET N N 179 120.736 120.736 122.839 -2.103 25554 844 1 1 . 1 1 179 179 MET C C 179 176.859 176.859 175.174 1.685 25554 845 1 1 . 1 1 179 179 MET CA C 179 56.336 56.336 51.543 4.793 25554 846 1 1 . 1 1 179 179 MET CB C 179 34.668 34.668 31.134 3.534 25554 847 1 1 . 1 1 179 179 MET H H 179 7.930 7.930 8.672 -0.742 25554 848 1 1 . 1 1 180 180 PRO C C 180 177.445 177.445 175.709 1.736 25554 849 1 1 . 1 1 180 180 PRO CA C 180 64.844 64.844 62.333 2.511 25554 850 1 1 . 1 1 180 180 PRO CB C 180 29.974 29.974 31.968 -1.994 25554 851 1 1 . 1 1 181 181 ALA N N 181 128.439 128.439 123.380 5.059 25554 852 1 1 . 1 1 181 181 ALA C C 181 176.273 176.273 175.984 0.289 25554 853 1 1 . 1 1 181 181 ALA CA C 181 58.092 58.092 52.330 5.762 25554 854 1 1 . 1 1 181 181 ALA CB C 181 21.198 21.198 19.312 1.886 25554 855 1 1 . 1 1 181 181 ALA H H 181 8.673 8.673 8.159 0.514 25554 856 1 1 . 1 1 182 182 LEU N N 182 122.130 122.130 122.699 -0.569 25554 857 1 1 . 1 1 182 182 LEU C C 182 177.445 177.445 176.763 0.682 25554 858 1 1 . 1 1 182 182 LEU CA C 182 55.164 55.164 52.508 2.656 25554 859 1 1 . 1 1 182 182 LEU CB C 182 42.866 42.866 45.722 -2.856 25554 860 1 1 . 1 1 182 182 LEU H H 182 8.821 8.821 8.022 0.799 25554 861 1 1 . 1 1 183 183 ALA N N 183 108.783 108.783 125.086 -16.303 25554 862 1 1 . 1 1 183 183 ALA C C 183 160.742 160.742 175.616 -14.874 25554 863 1 1 . 1 1 183 183 ALA CA C 183 51.651 51.651 50.405 1.246 25554 864 1 1 . 1 1 183 183 ALA CB C 183 18.856 18.856 18.155 0.701 25554 865 1 1 . 1 1 183 183 ALA H H 183 7.621 7.621 8.349 -0.728 25554 866 1 1 . 1 1 184 184 PRO C C 184 177.152 177.152 174.996 2.156 25554 867 1 1 . 1 1 184 184 PRO CA C 184 64.258 64.258 62.123 2.135 25554 868 1 1 . 1 1 184 184 PRO CB C 184 29.681 29.681 31.567 -1.886 25554 869 1 1 . 1 1 185 185 PRO C C 185 175.686 175.686 177.231 -1.545 25554 870 1 1 . 1 1 185 185 PRO CA C 185 63.379 63.379 63.069 0.310 25554 871 1 1 . 1 1 185 185 PRO CB C 185 35.248 35.248 32.244 3.004 25554 872 1 1 . 1 1 186 186 GLU N N 186 104.931 104.931 124.199 -19.268 25554 873 1 1 . 1 1 186 186 GLU C C 186 174.221 174.221 176.573 -2.352 25554 874 1 1 . 1 1 186 186 GLU CA C 186 57.507 57.507 58.598 -1.091 25554 875 1 1 . 1 1 186 186 GLU CB C 186 31.739 31.739 30.186 1.553 25554 876 1 1 . 1 1 186 186 GLU H H 186 8.673 8.673 8.705 -0.032 25554 877 1 1 . 1 1 187 187 VAL N N 187 124.455 124.455 111.353 13.102 25554 878 1 1 . 1 1 187 187 VAL C C 187 178.910 178.910 174.179 4.731 25554 879 1 1 . 1 1 187 187 VAL CA C 187 63.363 63.363 59.974 3.389 25554 880 1 1 . 1 1 187 187 VAL CB C 187 34.082 34.082 34.934 -0.852 25554 881 1 1 . 1 1 187 187 VAL H H 187 8.622 8.622 7.442 1.180 25554 882 1 1 . 1 1 188 188 VAL N N 188 128.572 128.572 121.069 7.503 25554 883 1 1 . 1 1 188 188 VAL C C 188 178.324 178.324 174.922 3.402 25554 884 1 1 . 1 1 188 188 VAL CA C 188 68.634 68.634 60.772 7.862 25554 885 1 1 . 1 1 188 188 VAL CB C 188 31.154 31.154 33.401 -2.247 25554 886 1 1 . 1 1 188 188 VAL H H 188 8.497 8.497 8.149 0.348 25554 887 1 1 . 1 1 189 189 MET N N 189 122.795 122.795 125.754 -2.959 25554 888 1 1 . 1 1 189 189 MET C C 189 177.445 177.445 175.366 2.079 25554 889 1 1 . 1 1 189 189 MET CA C 189 55.164 55.164 55.539 -0.375 25554 890 1 1 . 1 1 189 189 MET CB C 189 35.253 35.253 33.189 2.064 25554 891 1 1 . 1 1 189 189 MET H H 189 6.991 6.991 8.431 -1.440 25554 892 1 1 . 1 1 190 190 ASP N N 190 114.959 114.959 127.868 -12.909 25554 893 1 1 . 1 1 190 190 ASP C C 190 175.686 175.686 175.167 0.519 25554 894 1 1 . 1 1 190 190 ASP CA C 190 51.065 51.065 51.951 -0.886 25554 895 1 1 . 1 1 190 190 ASP CB C 190 41.695 41.695 40.646 1.049 25554 896 1 1 . 1 1 190 190 ASP H H 190 7.210 7.210 8.548 -1.338 25554 897 1 1 . 1 1 191 191 PRO C C 191 176.566 176.566 178.240 -1.674 25554 898 1 1 . 1 1 191 191 PRO CA C 191 63.965 63.965 65.480 -1.514 25554 899 1 1 . 1 1 191 191 PRO CB C 191 31.146 31.146 31.895 -0.749 25554 900 1 1 . 1 1 192 192 ALA N N 192 109.513 109.513 121.101 -11.588 25554 901 1 1 . 1 1 192 192 ALA CA C 192 53.993 53.993 54.812 -0.819 25554 902 1 1 . 1 1 192 192 ALA CB C 192 19.441 19.441 18.014 1.427 25554 903 1 1 . 1 1 192 192 ALA H H 192 7.394 7.394 8.262 -0.868 25554 904 1 1 . 1 1 193 193 LEU N N 193 119.009 119.009 119.550 -0.541 25554 905 1 1 . 1 1 193 193 LEU C C 193 175.979 175.979 178.984 -3.005 25554 906 1 1 . 1 1 193 193 LEU CA C 193 56.336 56.336 57.028 -0.692 25554 907 1 1 . 1 1 193 193 LEU CB C 193 42.866 42.866 41.222 1.644 25554 908 1 1 . 1 1 193 193 LEU H H 193 8.340 8.340 7.927 0.413 25554 909 1 1 . 1 1 194 194 ALA N N 194 121.666 121.666 121.714 -0.048 25554 910 1 1 . 1 1 194 194 ALA C C 194 166.896 166.896 179.330 -12.434 25554 911 1 1 . 1 1 194 194 ALA CA C 194 55.164 55.164 54.819 0.345 25554 912 1 1 . 1 1 194 194 ALA CB C 194 16.513 16.513 17.988 -1.475 25554 913 1 1 . 1 1 194 194 ALA H H 194 8.176 8.176 7.912 0.264 25554 914 1 1 . 1 1 195 195 ALA N N 195 119.541 119.541 121.283 -1.742 25554 915 1 1 . 1 1 195 195 ALA C C 195 173.928 173.928 179.740 -5.812 25554 916 1 1 . 1 1 195 195 ALA CA C 195 57.507 57.507 54.680 2.827 25554 917 1 1 . 1 1 195 195 ALA CB C 195 19.441 19.441 18.456 0.985 25554 918 1 1 . 1 1 195 195 ALA H H 195 8.364 8.364 8.129 0.235 25554 919 1 1 . 1 1 196 196 GLN N N 196 107.322 107.322 118.655 -11.333 25554 920 1 1 . 1 1 196 196 GLN C C 196 176.273 176.273 178.662 -2.389 25554 921 1 1 . 1 1 196 196 GLN CA C 196 56.921 56.921 59.178 -2.257 25554 922 1 1 . 1 1 196 196 GLN CB C 196 29.983 29.983 28.673 1.310 25554 923 1 1 . 1 1 196 196 GLN H H 196 7.910 7.910 7.960 -0.050 25554 924 1 1 . 1 1 197 197 TYR N N 197 115.623 115.623 119.250 -3.627 25554 925 1 1 . 1 1 197 197 TYR CA C 197 67.462 67.462 59.072 8.390 25554 926 1 1 . 1 1 197 197 TYR CB C 197 41.695 41.695 37.644 4.051 25554 927 1 1 . 1 1 197 197 TYR H H 197 8.196 8.196 8.348 -0.152 25554 928 1 1 . 1 1 198 198 GLU N N 198 110.244 110.244 120.585 -10.341 25554 929 1 1 . 1 1 198 198 GLU C C 198 176.273 176.273 178.951 -2.678 25554 930 1 1 . 1 1 198 198 GLU CA C 198 53.407 53.407 59.432 -6.025 25554 931 1 1 . 1 1 198 198 GLU CB C 198 30.568 30.568 29.686 0.882 25554 932 1 1 . 1 1 198 198 GLU H H 198 7.523 7.523 8.511 -0.988 25554 933 1 1 . 1 1 199 199 HIS N N 199 118.611 118.611 120.213 -1.602 25554 934 1 1 . 1 1 199 199 HIS C C 199 175.686 175.686 177.265 -1.579 25554 935 1 1 . 1 1 199 199 HIS CA C 199 56.921 56.921 59.452 -2.531 25554 936 1 1 . 1 1 199 199 HIS CB C 199 28.226 28.226 29.798 -1.572 25554 937 1 1 . 1 1 199 199 HIS H H 199 8.512 8.512 8.549 -0.037 25554 938 1 1 . 1 1 200 200 ASP N N 200 120.736 120.736 120.134 0.602 25554 939 1 1 . 1 1 200 200 ASP C C 200 176.273 176.273 178.684 -2.411 25554 940 1 1 . 1 1 200 200 ASP CA C 200 56.921 56.921 57.373 -0.452 25554 941 1 1 . 1 1 200 200 ASP CB C 200 40.524 40.524 40.424 0.100 25554 942 1 1 . 1 1 200 200 ASP H H 200 7.519 7.519 8.650 -1.131 25554 943 1 1 . 1 1 201 201 LEU N N 201 116.353 116.353 121.208 -4.855 25554 944 1 1 . 1 1 201 201 LEU C C 201 178.910 178.910 178.371 0.539 25554 945 1 1 . 1 1 201 201 LEU CA C 201 61.606 61.606 57.832 3.774 25554 946 1 1 . 1 1 201 201 LEU CB C 201 41.109 41.109 42.002 -0.893 25554 947 1 1 . 1 1 201 201 LEU H H 201 7.722 7.722 8.107 -0.385 25554 948 1 1 . 1 1 202 202 GLU N N 202 118.080 118.080 119.731 -1.651 25554 949 1 1 . 1 1 202 202 GLU C C 202 176.566 176.566 179.402 -2.836 25554 950 1 1 . 1 1 202 202 GLU CA C 202 56.921 56.921 59.358 -2.437 25554 951 1 1 . 1 1 202 202 GLU CB C 202 30.568 30.568 29.662 0.906 25554 952 1 1 . 1 1 202 202 GLU H H 202 8.857 8.857 8.064 0.793 25554 953 1 1 . 1 1 203 203 VAL N N 203 129.369 129.369 119.782 9.587 25554 954 1 1 . 1 1 203 203 VAL C C 203 178.617 178.617 177.659 0.958 25554 955 1 1 . 1 1 203 203 VAL CA C 203 64.534 64.534 66.100 -1.566 25554 956 1 1 . 1 1 203 203 VAL CB C 203 27.640 27.640 31.548 -3.908 25554 957 1 1 . 1 1 203 203 VAL H H 203 9.283 9.283 8.253 1.030 25554 958 1 1 . 1 1 204 204 ALA N N 204 109.580 109.580 120.651 -11.071 25554 959 1 1 . 1 1 204 204 ALA C C 204 176.859 176.859 178.459 -1.600 25554 960 1 1 . 1 1 204 204 ALA CA C 204 54.579 54.579 54.249 0.330 25554 961 1 1 . 1 1 204 204 ALA CB C 204 18.270 18.270 18.684 -0.414 25554 962 1 1 . 1 1 204 204 ALA H H 204 8.528 8.528 7.462 1.066 25554 963 1 1 . 1 1 205 205 GLN N N 205 115.756 115.756 117.217 -1.461 25554 964 1 1 . 1 1 205 205 GLN C C 205 175.979 175.979 179.198 -3.219 25554 965 1 1 . 1 1 205 205 GLN CA C 205 48.137 48.137 58.480 -10.344 25554 966 1 1 . 1 1 205 205 GLN CB C 205 25.883 25.883 28.934 -3.051 25554 967 1 1 . 1 1 205 205 GLN H H 205 7.973 7.973 7.697 0.276 25554 968 1 1 . 1 1 206 206 THR N N 206 120.271 120.271 113.745 6.526 25554 969 1 1 . 1 1 206 206 THR C C 206 176.273 176.273 175.008 1.265 25554 970 1 1 . 1 1 206 206 THR CA C 206 67.462 67.462 64.727 2.735 25554 971 1 1 . 1 1 206 206 THR CB C 206 70.390 70.390 69.131 1.259 25554 972 1 1 . 1 1 206 206 THR H H 206 7.585 7.585 7.751 -0.166 25554 973 1 1 . 1 1 207 207 THR N N 207 111.970 111.970 113.541 -1.571 25554 974 1 1 . 1 1 207 207 THR C C 207 176.566 176.566 173.439 3.127 25554 975 1 1 . 1 1 207 207 THR CA C 207 64.534 64.534 62.385 2.149 25554 976 1 1 . 1 1 207 207 THR CB C 207 72.733 72.733 67.966 4.768 25554 977 1 1 . 1 1 207 207 THR H H 207 7.468 7.468 7.429 0.039 25554 978 1 1 . 1 1 208 208 ALA N N 208 115.623 115.623 123.195 -7.572 25554 979 1 1 . 1 1 208 208 ALA C C 208 168.947 168.947 177.982 -9.035 25554 980 1 1 . 1 1 208 208 ALA CA C 208 55.164 55.164 50.658 4.506 25554 981 1 1 . 1 1 208 208 ALA CB C 208 22.369 22.369 20.527 1.842 25554 982 1 1 . 1 1 208 208 ALA H H 208 7.390 7.390 7.753 -0.363 25554 983 1 1 . 1 1 209 209 LEU N N 209 117.814 117.814 120.184 -2.370 25554 984 1 1 . 1 1 209 209 LEU C C 209 176.273 176.273 175.704 0.569 25554 985 1 1 . 1 1 209 209 LEU CA C 209 58.678 58.678 56.810 1.867 25554 986 1 1 . 1 1 209 209 LEU CB C 209 46.380 46.380 39.777 6.603 25554 987 1 1 . 1 1 209 209 LEU H H 209 7.652 7.652 8.539 -0.887 25554 988 1 1 . 1 1 210 210 PRO C C 210 176.566 176.566 176.269 0.297 25554 989 1 1 . 1 1 210 210 PRO CA C 210 63.086 63.086 62.904 0.182 25554 990 1 1 . 1 1 210 210 PRO CB C 210 31.146 31.146 32.175 -1.029 25554 991 1 1 . 1 1 211 211 ASP N N 211 121.134 121.134 122.351 -1.217 25554 992 1 1 . 1 1 211 211 ASP C C 211 176.273 176.273 177.178 -0.905 25554 993 1 1 . 1 1 211 211 ASP CA C 211 52.236 52.236 55.559 -3.324 25554 994 1 1 . 1 1 211 211 ASP CB C 211 42.281 42.281 41.574 0.707 25554 995 1 1 . 1 1 211 211 ASP H H 211 9.510 9.510 8.751 0.759 25554 996 1 1 . 1 1 212 212 GLU N N 212 131.162 131.162 120.945 10.217 25554 997 1 1 . 1 1 212 212 GLU C C 212 176.273 176.273 177.986 -1.713 25554 998 1 1 . 1 1 212 212 GLU CA C 212 55.164 55.164 59.868 -4.704 25554 999 1 1 . 1 1 212 212 GLU CB C 212 30.568 30.568 28.775 1.793 25554 1000 1 1 . 1 1 212 212 GLU H H 212 8.399 8.399 8.612 -0.213 25554 1001 1 1 . 1 1 213 213 ASP N N 213 115.822 115.822 117.530 -1.708 25554 1002 1 1 . 1 1 213 213 ASP C C 213 174.807 174.807 178.596 -3.789 25554 1003 1 1 . 1 1 213 213 ASP CA C 213 51.065 51.065 57.297 -6.232 25554 1004 1 1 . 1 1 213 213 ASP CB C 213 41.109 41.109 40.052 1.057 25554 1005 1 1 . 1 1 213 213 ASP H H 213 10.699 10.699 8.384 2.315 25554 1006 1 1 . 1 1 214 214 ASP N N 214 112.369 112.369 119.611 -7.242 25554 1007 1 1 . 1 1 214 214 ASP C C 214 178.910 178.910 177.485 1.425 25554 1008 1 1 . 1 1 214 214 ASP CA C 214 54.579 54.579 56.330 -1.751 25554 1009 1 1 . 1 1 214 214 ASP CB C 214 39.353 39.353 40.687 -1.334 25554 1010 1 1 . 1 1 214 214 ASP H H 214 7.464 7.464 8.018 -0.554 25554 1011 1 1 . 1 1 215 215 ASP N N 215 127.244 127.244 119.444 7.800 25554 1012 1 1 . 1 1 215 215 ASP C C 215 176.859 176.859 177.288 -0.429 25554 1013 1 1 . 1 1 215 215 ASP CA C 215 54.579 54.579 55.663 -1.084 25554 1014 1 1 . 1 1 215 215 ASP CB C 215 40.524 40.524 41.226 -0.702 25554 1015 1 1 . 1 1 215 215 ASP H H 215 8.301 8.301 7.671 0.630 25554 1016 1 2 . 1 1 2 2 ALA N N 2 131.228 131.228 124.455 6.773 25554 1017 1 2 . 1 1 2 2 ALA C C 2 187.031 187.031 177.855 9.176 25554 1018 1 2 . 1 1 2 2 ALA CA C 2 53.407 53.407 53.766 -0.359 25554 1019 1 2 . 1 1 2 2 ALA CB C 2 20.027 20.027 18.593 1.434 25554 1020 1 2 . 1 1 2 2 ALA H H 2 10.644 10.644 8.376 2.268 25554 1021 1 2 . 1 1 3 3 ALA N N 3 124.521 124.521 120.708 3.813 25554 1022 1 2 . 1 1 3 3 ALA C C 3 176.566 176.566 177.092 -0.526 25554 1023 1 2 . 1 1 3 3 ALA CA C 3 49.894 49.894 51.350 -1.456 25554 1024 1 2 . 1 1 3 3 ALA CB C 3 18.270 18.270 19.541 -1.271 25554 1025 1 2 . 1 1 3 3 ALA H H 3 8.669 8.669 7.691 0.978 25554 1026 1 2 . 1 1 4 4 GLN N N 4 118.080 118.080 120.928 -2.848 25554 1027 1 2 . 1 1 4 4 GLN C C 4 176.273 176.273 177.709 -1.436 25554 1028 1 2 . 1 1 4 4 GLN CA C 4 54.579 54.579 56.685 -2.106 25554 1029 1 2 . 1 1 4 4 GLN CB C 4 27.054 27.054 29.184 -2.131 25554 1030 1 2 . 1 1 4 4 GLN H H 4 8.919 8.919 8.476 0.443 25554 1031 1 2 . 1 1 5 5 GLY N N 5 121.002 121.002 111.371 9.631 25554 1032 1 2 . 1 1 5 5 GLY C C 5 181.877 181.877 174.271 7.606 25554 1033 1 2 . 1 1 5 5 GLY CA C 5 45.794 45.794 44.748 1.046 25554 1034 1 2 . 1 1 5 5 GLY H H 5 8.082 8.082 9.024 -0.942 25554 1035 1 2 . 1 1 6 6 GLU N N 6 129.435 129.435 121.346 8.089 25554 1036 1 2 . 1 1 6 6 GLU C C 6 176.566 176.566 175.217 1.349 25554 1037 1 2 . 1 1 6 6 GLU CA C 6 56.336 56.336 55.243 1.093 25554 1038 1 2 . 1 1 6 6 GLU CB C 6 28.811 28.811 29.869 -1.058 25554 1039 1 2 . 1 1 6 6 GLU H H 6 9.267 9.267 8.220 1.047 25554 1040 1 2 . 1 1 7 7 PRO C C 7 176.566 176.566 176.125 0.441 25554 1041 1 2 . 1 1 7 7 PRO CA C 7 63.672 63.672 62.894 0.778 25554 1042 1 2 . 1 1 7 7 PRO CB C 7 31.146 31.146 32.420 -1.274 25554 1043 1 2 . 1 1 8 8 GLN N N 8 112.502 112.502 120.020 -7.518 25554 1044 1 2 . 1 1 8 8 GLN C C 8 177.445 177.445 175.801 1.644 25554 1045 1 2 . 1 1 8 8 GLN CA C 8 50.479 50.479 56.191 -5.712 25554 1046 1 2 . 1 1 8 8 GLN CB C 8 28.811 28.811 29.393 -0.582 25554 1047 1 2 . 1 1 8 8 GLN H H 8 6.220 6.220 8.330 -2.110 25554 1048 1 2 . 1 1 9 9 VAL N N 9 117.416 117.416 126.697 -9.281 25554 1049 1 2 . 1 1 9 9 VAL C C 9 178.324 178.324 174.394 3.930 25554 1050 1 2 . 1 1 9 9 VAL CA C 9 63.363 63.363 61.937 1.426 25554 1051 1 2 . 1 1 9 9 VAL CB C 9 34.668 34.668 32.783 1.885 25554 1052 1 2 . 1 1 9 9 VAL H H 9 6.561 6.561 8.281 -1.720 25554 1053 1 2 . 1 1 10 10 GLN N N 10 113.896 113.896 124.321 -10.425 25554 1054 1 2 . 1 1 10 10 GLN C C 10 176.273 176.273 174.623 1.650 25554 1055 1 2 . 1 1 10 10 GLN CA C 10 55.164 55.164 54.376 0.788 25554 1056 1 2 . 1 1 10 10 GLN CB C 10 28.226 28.226 31.985 -3.759 25554 1057 1 2 . 1 1 10 10 GLN H H 10 7.847 7.847 8.276 -0.429 25554 1058 1 2 . 1 1 11 11 PHE N N 11 118.744 118.744 123.102 -4.358 25554 1059 1 2 . 1 1 11 11 PHE C C 11 176.566 176.566 174.688 1.878 25554 1060 1 2 . 1 1 11 11 PHE CA C 11 59.849 59.849 56.546 3.303 25554 1061 1 2 . 1 1 11 11 PHE CB C 11 41.109 41.109 42.719 -1.610 25554 1062 1 2 . 1 1 11 11 PHE H H 11 8.262 8.262 9.168 -0.906 25554 1063 1 2 . 1 1 12 12 LYS N N 12 124.123 124.123 124.032 0.091 25554 1064 1 2 . 1 1 12 12 LYS C C 12 177.152 177.152 175.189 1.963 25554 1065 1 2 . 1 1 12 12 LYS CA C 12 57.507 57.507 56.547 0.960 25554 1066 1 2 . 1 1 12 12 LYS CB C 12 28.811 28.811 32.672 -3.861 25554 1067 1 2 . 1 1 12 12 LYS H H 12 8.415 8.415 8.874 -0.459 25554 1068 1 2 . 1 1 13 13 LEU N N 13 112.103 112.103 127.851 -15.748 25554 1069 1 2 . 1 1 13 13 LEU C C 13 177.738 177.738 174.782 2.956 25554 1070 1 2 . 1 1 13 13 LEU CA C 13 54.579 54.579 52.906 1.673 25554 1071 1 2 . 1 1 13 13 LEU CB C 13 42.866 42.866 45.729 -2.863 25554 1072 1 2 . 1 1 13 13 LEU H H 13 6.905 6.905 9.110 -2.205 25554 1073 1 2 . 1 1 14 14 VAL N N 14 127.310 127.310 126.502 0.808 25554 1074 1 2 . 1 1 14 14 VAL C C 14 175.393 175.393 173.817 1.576 25554 1075 1 2 . 1 1 14 14 VAL CA C 14 70.976 70.976 61.960 9.016 25554 1076 1 2 . 1 1 14 14 VAL CB C 14 28.811 28.811 32.787 -3.976 25554 1077 1 2 . 1 1 14 14 VAL H H 14 8.305 8.305 9.047 -0.742 25554 1078 1 2 . 1 1 15 15 LEU N N 15 121.400 121.400 131.150 -9.750 25554 1079 1 2 . 1 1 15 15 LEU C C 15 173.342 173.342 175.132 -1.790 25554 1080 1 2 . 1 1 15 15 LEU CA C 15 56.336 56.336 53.225 3.111 25554 1081 1 2 . 1 1 15 15 LEU CB C 15 41.695 41.695 44.289 -2.594 25554 1082 1 2 . 1 1 15 15 LEU H H 15 7.785 7.785 8.653 -0.868 25554 1083 1 2 . 1 1 16 16 VAL N N 16 121.267 121.267 120.217 1.050 25554 1084 1 2 . 1 1 16 16 VAL C C 16 178.324 178.324 173.888 4.436 25554 1085 1 2 . 1 1 16 16 VAL CA C 16 63.363 63.363 59.368 3.995 25554 1086 1 2 . 1 1 16 16 VAL CB C 16 35.839 35.839 34.898 0.941 25554 1087 1 2 . 1 1 16 16 VAL H H 16 8.935 8.935 8.828 0.107 25554 1088 1 2 . 1 1 17 17 GLY N N 17 127.908 127.908 108.313 19.595 25554 1089 1 2 . 1 1 17 17 GLY C C 17 174.514 174.514 171.898 2.616 25554 1090 1 2 . 1 1 17 17 GLY CA C 17 42.281 42.281 44.449 -2.168 25554 1091 1 2 . 1 1 17 17 GLY H H 17 9.682 9.682 7.082 2.600 25554 1092 1 2 . 1 1 18 18 ASP N N 18 119.673 119.673 120.703 -1.030 25554 1093 1 2 . 1 1 18 18 ASP C C 18 176.859 176.859 176.636 0.223 25554 1094 1 2 . 1 1 18 18 ASP CA C 18 55.750 55.750 52.430 3.320 25554 1095 1 2 . 1 1 18 18 ASP CB C 18 39.938 39.938 42.748 -2.810 25554 1096 1 2 . 1 1 18 18 ASP H H 18 7.879 7.879 7.928 -0.049 25554 1097 1 2 . 1 1 19 19 GLY N N 19 120.670 120.670 111.138 9.532 25554 1098 1 2 . 1 1 19 19 GLY C C 19 178.324 178.324 174.923 3.401 25554 1099 1 2 . 1 1 19 19 GLY CA C 19 42.281 42.281 45.748 -3.467 25554 1100 1 2 . 1 1 19 19 GLY H H 19 8.825 8.825 8.737 0.088 25554 1101 1 2 . 1 1 20 20 GLY N N 20 129.369 129.369 112.815 16.554 25554 1102 1 2 . 1 1 20 20 GLY C C 20 174.221 174.221 175.758 -1.537 25554 1103 1 2 . 1 1 20 20 GLY CA C 20 41.695 41.695 45.657 -3.962 25554 1104 1 2 . 1 1 20 20 GLY H H 20 8.477 8.477 8.701 -0.224 25554 1105 1 2 . 1 1 21 21 THR N N 21 114.560 114.560 117.924 -3.364 25554 1106 1 2 . 1 1 21 21 THR C C 21 178.617 178.617 174.658 3.959 25554 1107 1 2 . 1 1 21 21 THR CA C 21 62.192 62.192 66.779 -4.587 25554 1108 1 2 . 1 1 21 21 THR CB C 21 70.390 70.390 69.038 1.352 25554 1109 1 2 . 1 1 21 21 THR H H 21 8.196 8.196 8.277 -0.081 25554 1110 1 2 . 1 1 22 22 GLY N N 22 112.369 112.369 106.383 5.986 25554 1111 1 2 . 1 1 22 22 GLY C C 22 184.807 184.807 175.079 9.728 25554 1112 1 2 . 1 1 22 22 GLY CA C 22 45.209 45.209 44.989 0.220 25554 1113 1 2 . 1 1 22 22 GLY H H 22 6.772 6.772 8.470 -1.698 25554 1114 1 2 . 1 1 23 23 LYS N N 23 124.056 124.056 120.473 3.583 25554 1115 1 2 . 1 1 23 23 LYS C C 23 176.566 176.566 178.320 -1.754 25554 1116 1 2 . 1 1 23 23 LYS CA C 23 56.921 56.921 59.625 -2.704 25554 1117 1 2 . 1 1 23 23 LYS CB C 23 35.839 35.839 32.249 3.590 25554 1118 1 2 . 1 1 23 23 LYS H H 23 8.180 8.180 8.449 -0.269 25554 1119 1 2 . 1 1 24 24 THR N N 24 114.627 114.627 114.977 -0.350 25554 1120 1 2 . 1 1 24 24 THR C C 24 178.324 178.324 176.798 1.526 25554 1121 1 2 . 1 1 24 24 THR CA C 24 62.192 62.192 66.860 -4.668 25554 1122 1 2 . 1 1 24 24 THR CB C 24 71.562 71.562 68.626 2.936 25554 1123 1 2 . 1 1 24 24 THR H H 24 8.469 8.469 8.420 0.049 25554 1124 1 2 . 1 1 25 25 THR N N 25 110.377 110.377 118.463 -8.086 25554 1125 1 2 . 1 1 25 25 THR C C 25 178.324 178.324 175.998 2.326 25554 1126 1 2 . 1 1 25 25 THR CA C 25 64.534 64.534 67.184 -2.650 25554 1127 1 2 . 1 1 25 25 THR CB C 25 71.562 71.562 68.618 2.944 25554 1128 1 2 . 1 1 25 25 THR H H 25 8.415 8.415 8.024 0.391 25554 1129 1 2 . 1 1 26 26 PHE N N 26 114.295 114.295 122.536 -8.241 25554 1130 1 2 . 1 1 26 26 PHE C C 26 174.514 174.514 177.021 -2.507 25554 1131 1 2 . 1 1 26 26 PHE CA C 26 53.407 53.407 61.662 -8.255 25554 1132 1 2 . 1 1 26 26 PHE CB C 26 40.524 40.524 39.225 1.299 25554 1133 1 2 . 1 1 26 26 PHE H H 26 7.707 7.707 8.195 -0.488 25554 1134 1 2 . 1 1 27 27 VAL N N 27 123.525 123.525 118.162 5.363 25554 1135 1 2 . 1 1 27 27 VAL C C 27 178.031 178.031 178.090 -0.059 25554 1136 1 2 . 1 1 27 27 VAL CA C 27 67.462 67.462 66.224 1.238 25554 1137 1 2 . 1 1 27 27 VAL CB C 27 29.397 29.397 31.702 -2.305 25554 1138 1 2 . 1 1 27 27 VAL H H 27 6.987 6.987 8.184 -1.197 25554 1139 1 2 . 1 1 28 28 LYS N N 28 114.228 114.228 117.866 -3.638 25554 1140 1 2 . 1 1 28 28 LYS C C 28 176.566 176.566 178.117 -1.551 25554 1141 1 2 . 1 1 28 28 LYS CA C 28 58.092 58.092 57.759 0.333 25554 1142 1 2 . 1 1 28 28 LYS CB C 28 34.082 34.082 31.770 2.312 25554 1143 1 2 . 1 1 28 28 LYS H H 28 7.429 7.429 7.752 -0.323 25554 1144 1 2 . 1 1 29 29 ARG N N 29 112.037 112.037 116.848 -4.811 25554 1145 1 2 . 1 1 29 29 ARG C C 29 174.221 174.221 176.677 -2.456 25554 1146 1 2 . 1 1 29 29 ARG CA C 29 72.147 72.147 57.848 14.299 25554 1147 1 2 . 1 1 29 29 ARG CB C 29 37.596 37.596 29.416 8.180 25554 1148 1 2 . 1 1 29 29 ARG H H 29 6.803 6.803 7.259 -0.456 25554 1149 1 2 . 1 1 30 30 HIS N N 30 122.396 122.396 118.688 3.708 25554 1150 1 2 . 1 1 30 30 HIS C C 30 172.170 172.170 176.279 -4.109 25554 1151 1 2 . 1 1 30 30 HIS CA C 30 51.651 51.651 55.140 -3.489 25554 1152 1 2 . 1 1 30 30 HIS CB C 30 30.568 30.568 29.265 1.302 25554 1153 1 2 . 1 1 30 30 HIS H H 30 7.644 7.644 7.210 0.434 25554 1154 1 2 . 1 1 31 31 LEU N N 31 110.377 110.377 128.095 -17.718 25554 1155 1 2 . 1 1 31 31 LEU C C 31 178.031 178.031 178.120 -0.089 25554 1156 1 2 . 1 1 31 31 LEU CA C 31 55.164 55.164 57.714 -2.550 25554 1157 1 2 . 1 1 31 31 LEU CB C 31 42.281 42.281 41.695 0.586 25554 1158 1 2 . 1 1 31 31 LEU H H 31 7.894 7.894 8.013 -0.119 25554 1159 1 2 . 1 1 32 32 THR N N 32 118.213 118.213 114.061 4.152 25554 1160 1 2 . 1 1 32 32 THR C C 32 178.910 178.910 176.645 2.265 25554 1161 1 2 . 1 1 32 32 THR CA C 32 63.949 63.949 66.927 -2.978 25554 1162 1 2 . 1 1 32 32 THR CB C 32 72.733 72.733 68.095 4.638 25554 1163 1 2 . 1 1 32 32 THR H H 32 7.570 7.570 7.443 0.127 25554 1164 1 2 . 1 1 33 33 GLY N N 33 127.841 127.841 109.684 18.157 25554 1165 1 2 . 1 1 33 33 GLY C C 33 161.914 161.914 175.942 -14.028 25554 1166 1 2 . 1 1 33 33 GLY CA C 33 42.866 42.866 46.934 -4.068 25554 1167 1 2 . 1 1 33 33 GLY H H 33 9.662 9.662 7.310 2.352 25554 1168 1 2 . 1 1 34 34 GLU N N 34 122.263 122.263 122.912 -0.649 25554 1169 1 2 . 1 1 34 34 GLU C C 34 176.859 176.859 179.365 -2.506 25554 1170 1 2 . 1 1 34 34 GLU CA C 34 51.651 51.651 58.525 -6.874 25554 1171 1 2 . 1 1 34 34 GLU CB C 34 29.397 29.397 29.213 0.184 25554 1172 1 2 . 1 1 34 34 GLU H H 34 7.140 7.140 7.646 -0.506 25554 1173 1 2 . 1 1 35 35 PHE N N 35 111.838 111.838 119.451 -7.613 25554 1174 1 2 . 1 1 35 35 PHE C C 35 174.221 174.221 177.461 -3.240 25554 1175 1 2 . 1 1 35 35 PHE CA C 35 49.308 49.308 60.186 -10.878 25554 1176 1 2 . 1 1 35 35 PHE CB C 35 41.695 41.695 39.138 2.557 25554 1177 1 2 . 1 1 35 35 PHE H H 35 6.772 6.772 7.729 -0.957 25554 1178 1 2 . 1 1 36 36 GLU N N 36 124.388 124.388 117.869 6.519 25554 1179 1 2 . 1 1 36 36 GLU C C 36 176.859 176.859 174.950 1.909 25554 1180 1 2 . 1 1 36 36 GLU CA C 36 58.092 58.092 55.488 2.604 25554 1181 1 2 . 1 1 36 36 GLU CB C 36 30.568 30.568 29.319 1.249 25554 1182 1 2 . 1 1 36 36 GLU H H 36 7.734 7.734 8.164 -0.430 25554 1183 1 2 . 1 1 37 37 LYS N N 37 118.810 118.810 119.661 -0.851 25554 1184 1 2 . 1 1 37 37 LYS C C 37 172.756 172.756 176.388 -3.632 25554 1185 1 2 . 1 1 37 37 LYS CA C 37 48.137 48.137 55.128 -6.991 25554 1186 1 2 . 1 1 37 37 LYS CB C 37 37.010 37.010 33.406 3.604 25554 1187 1 2 . 1 1 37 37 LYS H H 37 8.509 8.509 7.421 1.088 25554 1188 1 2 . 1 1 38 38 LYS N N 38 108.052 108.052 125.794 -17.742 25554 1189 1 2 . 1 1 38 38 LYS C C 38 176.273 176.273 174.943 1.330 25554 1190 1 2 . 1 1 38 38 LYS CA C 38 59.849 59.849 55.047 4.802 25554 1191 1 2 . 1 1 38 38 LYS CB C 38 34.668 34.668 35.066 -0.398 25554 1192 1 2 . 1 1 38 38 LYS H H 38 7.715 7.715 8.555 -0.840 25554 1193 1 2 . 1 1 39 39 TYR N N 39 108.650 108.650 125.101 -16.451 25554 1194 1 2 . 1 1 39 39 TYR C C 39 175.686 175.686 175.137 0.549 25554 1195 1 2 . 1 1 39 39 TYR CA C 39 61.020 61.020 57.464 3.556 25554 1196 1 2 . 1 1 39 39 TYR CB C 39 36.424 36.424 39.882 -3.458 25554 1197 1 2 . 1 1 39 39 TYR H H 39 7.362 7.362 8.649 -1.287 25554 1198 1 2 . 1 1 40 40 VAL N N 40 117.947 117.947 128.306 -10.359 25554 1199 1 2 . 1 1 40 40 VAL C C 40 175.393 175.393 175.101 0.292 25554 1200 1 2 . 1 1 40 40 VAL CA C 40 61.020 61.020 60.970 0.050 25554 1201 1 2 . 1 1 40 40 VAL CB C 40 31.154 31.154 32.530 -1.376 25554 1202 1 2 . 1 1 40 40 VAL H H 40 8.442 8.442 8.370 0.072 25554 1203 1 2 . 1 1 42 42 THR N N 42 117.150 117.150 113.165 3.985 25554 1204 1 2 . 1 1 42 42 THR C C 42 178.910 178.910 175.795 3.115 25554 1205 1 2 . 1 1 42 42 THR CA C 42 60.435 60.435 64.340 -3.905 25554 1206 1 2 . 1 1 42 42 THR CB C 42 70.390 70.390 68.624 1.766 25554 1207 1 2 . 1 1 42 42 THR H H 42 8.192 8.192 8.243 -0.051 25554 1208 1 2 . 1 1 43 43 LEU N N 43 119.209 119.209 120.009 -0.800 25554 1209 1 2 . 1 1 43 43 LEU C C 43 174.807 174.807 177.323 -2.516 25554 1210 1 2 . 1 1 43 43 LEU CA C 43 57.507 57.507 55.454 2.053 25554 1211 1 2 . 1 1 43 43 LEU CB C 43 42.866 42.866 42.175 0.692 25554 1212 1 2 . 1 1 43 43 LEU H H 43 9.260 9.260 7.727 1.533 25554 1213 1 2 . 1 1 44 44 GLY N N 44 114.361 114.361 106.190 8.171 25554 1214 1 2 . 1 1 44 44 GLY C C 44 178.910 178.910 173.312 5.598 25554 1215 1 2 . 1 1 44 44 GLY CA C 44 54.579 54.579 45.429 9.150 25554 1216 1 2 . 1 1 44 44 GLY H H 44 6.979 6.979 7.740 -0.761 25554 1217 1 2 . 1 1 45 45 VAL N N 45 110.244 110.244 118.502 -8.258 25554 1218 1 2 . 1 1 45 45 VAL C C 45 174.807 174.807 174.186 0.621 25554 1219 1 2 . 1 1 45 45 VAL CA C 45 63.363 63.363 60.200 3.163 25554 1220 1 2 . 1 1 45 45 VAL CB C 45 17.099 17.099 34.922 -17.823 25554 1221 1 2 . 1 1 45 45 VAL H H 45 8.309 8.309 7.271 1.038 25554 1222 1 2 . 1 1 46 46 GLU N N 46 130.365 130.365 126.603 3.762 25554 1223 1 2 . 1 1 46 46 GLU C C 46 176.859 176.859 175.536 1.323 25554 1224 1 2 . 1 1 46 46 GLU CA C 46 55.164 55.164 55.023 0.141 25554 1225 1 2 . 1 1 46 46 GLU CB C 46 32.325 32.325 31.753 0.572 25554 1226 1 2 . 1 1 46 46 GLU H H 46 9.741 9.741 8.847 0.894 25554 1227 1 2 . 1 1 47 47 VAL N N 47 115.623 115.623 125.289 -9.666 25554 1228 1 2 . 1 1 47 47 VAL C C 47 178.324 178.324 174.748 3.576 25554 1229 1 2 . 1 1 47 47 VAL CA C 47 63.363 63.363 60.896 2.467 25554 1230 1 2 . 1 1 47 47 VAL CB C 47 32.911 32.911 32.929 -0.018 25554 1231 1 2 . 1 1 47 47 VAL H H 47 7.339 7.339 8.821 -1.482 25554 1232 1 2 . 1 1 48 48 HIS N N 48 129.236 129.236 126.839 2.397 25554 1233 1 2 . 1 1 48 48 HIS C C 48 169.240 169.240 173.103 -3.863 25554 1234 1 2 . 1 1 48 48 HIS CA C 48 49.894 49.894 53.480 -3.586 25554 1235 1 2 . 1 1 48 48 HIS CB C 48 27.640 27.640 32.387 -4.747 25554 1236 1 2 . 1 1 48 48 HIS H H 48 10.390 10.390 9.317 1.073 25554 1237 1 2 . 1 1 49 49 PRO C C 49 176.273 176.273 176.214 0.059 25554 1238 1 2 . 1 1 49 49 PRO CA C 49 62.500 62.500 63.016 -0.516 25554 1239 1 2 . 1 1 49 49 PRO CB C 49 29.974 29.974 31.610 -1.636 25554 1240 1 2 . 1 1 50 50 LEU N N 50 119.408 119.408 128.552 -9.144 25554 1241 1 2 . 1 1 50 50 LEU C C 50 177.445 177.445 175.801 1.644 25554 1242 1 2 . 1 1 50 50 LEU CA C 50 59.264 59.264 54.267 4.997 25554 1243 1 2 . 1 1 50 50 LEU CB C 50 42.281 42.281 42.639 -0.358 25554 1244 1 2 . 1 1 50 50 LEU H H 50 7.492 7.492 9.158 -1.666 25554 1245 1 2 . 1 1 51 51 VAL N N 51 117.947 117.947 124.147 -6.200 25554 1246 1 2 . 1 1 51 51 VAL C C 51 174.514 174.514 174.617 -0.103 25554 1247 1 2 . 1 1 51 51 VAL CA C 51 64.534 64.534 61.187 3.347 25554 1248 1 2 . 1 1 51 51 VAL CB C 51 37.010 37.010 33.618 3.392 25554 1249 1 2 . 1 1 51 51 VAL H H 51 7.715 7.715 7.350 0.365 25554 1250 1 2 . 1 1 52 52 PHE N N 52 124.853 124.853 125.364 -0.511 25554 1251 1 2 . 1 1 52 52 PHE C C 52 175.100 175.100 173.771 1.329 25554 1252 1 2 . 1 1 52 52 PHE CA C 52 56.336 56.336 56.180 0.156 25554 1253 1 2 . 1 1 52 52 PHE CB C 52 39.938 39.938 42.462 -2.524 25554 1254 1 2 . 1 1 52 52 PHE H H 52 8.935 8.935 8.653 0.282 25554 1255 1 2 . 1 1 53 53 HIS N N 53 120.603 120.603 121.415 -0.812 25554 1256 1 2 . 1 1 53 53 HIS C C 53 170.119 170.119 175.158 -5.039 25554 1257 1 2 . 1 1 53 53 HIS CA C 53 55.164 55.164 55.076 0.088 25554 1258 1 2 . 1 1 53 53 HIS CB C 53 30.568 30.568 31.519 -0.951 25554 1259 1 2 . 1 1 53 53 HIS H H 53 8.356 8.356 8.386 -0.030 25554 1260 1 2 . 1 1 54 54 THR N N 54 112.634 112.634 117.283 -4.649 25554 1261 1 2 . 1 1 54 54 THR C C 54 178.910 178.910 176.601 2.309 25554 1262 1 2 . 1 1 54 54 THR CA C 54 63.363 63.363 59.429 3.934 25554 1263 1 2 . 1 1 54 54 THR CB C 54 72.733 72.733 71.223 1.510 25554 1264 1 2 . 1 1 54 54 THR H H 54 7.574 7.574 8.918 -1.344 25554 1265 1 2 . 1 1 55 55 ASN N N 55 131.095 131.095 122.300 8.795 25554 1266 1 2 . 1 1 55 55 ASN C C 55 176.273 176.273 176.461 -0.188 25554 1267 1 2 . 1 1 55 55 ASN CA C 55 51.065 51.065 56.038 -4.973 25554 1268 1 2 . 1 1 55 55 ASN CB C 55 37.010 37.010 37.795 -0.785 25554 1269 1 2 . 1 1 55 55 ASN H H 55 10.187 10.187 9.093 1.094 25554 1270 1 2 . 1 1 56 56 ARG N N 56 122.064 122.064 121.018 1.046 25554 1271 1 2 . 1 1 56 56 ARG C C 56 175.100 175.100 175.818 -0.718 25554 1272 1 2 . 1 1 56 56 ARG CA C 56 61.606 61.606 57.922 3.684 25554 1273 1 2 . 1 1 56 56 ARG CB C 56 32.911 32.911 31.489 1.422 25554 1274 1 2 . 1 1 56 56 ARG H H 56 7.433 7.433 8.303 -0.870 25554 1275 1 2 . 1 1 57 57 GLY N N 57 127.709 127.709 104.152 23.557 25554 1276 1 2 . 1 1 57 57 GLY C C 57 175.979 175.979 171.401 4.578 25554 1277 1 2 . 1 1 57 57 GLY CA C 57 42.281 42.281 44.275 -1.994 25554 1278 1 2 . 1 1 57 57 GLY H H 57 9.373 9.373 7.894 1.479 25554 1279 1 2 . 1 1 58 58 PRO C C 58 177.152 177.152 175.787 1.365 25554 1280 1 2 . 1 1 58 58 PRO CA C 58 65.137 65.137 62.457 2.680 25554 1281 1 2 . 1 1 58 58 PRO CB C 58 29.095 29.095 32.548 -3.453 25554 1282 1 2 . 1 1 59 59 ILE N N 59 128.638 128.638 122.536 6.102 25554 1283 1 2 . 1 1 59 59 ILE C C 59 175.979 175.979 174.542 1.437 25554 1284 1 2 . 1 1 59 59 ILE CA C 59 65.120 65.120 60.155 4.965 25554 1285 1 2 . 1 1 59 59 ILE CB C 59 40.524 40.524 41.900 -1.376 25554 1286 1 2 . 1 1 59 59 ILE H H 59 8.794 8.794 8.704 0.090 25554 1287 1 2 . 1 1 60 60 LYS N N 60 115.756 115.756 126.939 -11.183 25554 1288 1 2 . 1 1 60 60 LYS C C 60 175.979 175.979 175.018 0.961 25554 1289 1 2 . 1 1 60 60 LYS CA C 60 56.921 56.921 54.509 2.412 25554 1290 1 2 . 1 1 60 60 LYS CB C 60 32.325 32.325 35.307 -2.982 25554 1291 1 2 . 1 1 60 60 LYS H H 60 7.253 7.253 8.923 -1.670 25554 1292 1 2 . 1 1 61 61 PHE N N 61 120.670 120.670 125.447 -4.777 25554 1293 1 2 . 1 1 61 61 PHE C C 61 175.393 175.393 175.153 0.240 25554 1294 1 2 . 1 1 61 61 PHE CA C 61 57.507 57.507 56.467 1.040 25554 1295 1 2 . 1 1 61 61 PHE CB C 61 41.109 41.109 41.483 -0.374 25554 1296 1 2 . 1 1 61 61 PHE H H 61 7.515 7.515 9.413 -1.898 25554 1297 1 2 . 1 1 62 62 ASN N N 62 119.076 119.076 123.940 -4.864 25554 1298 1 2 . 1 1 62 62 ASN C C 62 175.100 175.100 175.011 0.089 25554 1299 1 2 . 1 1 62 62 ASN CA C 62 53.407 53.407 52.734 0.673 25554 1300 1 2 . 1 1 62 62 ASN CB C 62 38.767 38.767 38.911 -0.144 25554 1301 1 2 . 1 1 62 62 ASN H H 62 7.558 7.558 9.212 -1.654 25554 1302 1 2 . 1 1 63 63 VAL N N 63 106.127 106.127 124.456 -18.329 25554 1303 1 2 . 1 1 63 63 VAL C C 63 175.100 175.100 175.635 -0.535 25554 1304 1 2 . 1 1 63 63 VAL CA C 63 61.020 61.020 62.562 -1.542 25554 1305 1 2 . 1 1 63 63 VAL CB C 63 31.154 31.154 33.171 -2.017 25554 1306 1 2 . 1 1 63 63 VAL H H 63 8.113 8.113 9.191 -1.078 25554 1307 1 2 . 1 1 64 64 TRP N N 64 129.302 129.302 129.954 -0.652 25554 1308 1 2 . 1 1 64 64 TRP C C 64 177.152 177.152 175.208 1.944 25554 1309 1 2 . 1 1 64 64 TRP CA C 64 59.264 59.264 55.337 3.927 25554 1310 1 2 . 1 1 64 64 TRP CB C 64 29.397 29.397 29.516 -0.119 25554 1311 1 2 . 1 1 64 64 TRP H H 64 8.970 8.970 9.599 -0.629 25554 1312 1 2 . 1 1 65 65 ASP N N 65 119.607 119.607 124.958 -5.351 25554 1313 1 2 . 1 1 65 65 ASP C C 65 174.514 174.514 176.294 -1.780 25554 1314 1 2 . 1 1 65 65 ASP CA C 65 55.164 55.164 52.419 2.744 25554 1315 1 2 . 1 1 65 65 ASP CB C 65 41.109 41.109 44.404 -3.296 25554 1316 1 2 . 1 1 65 65 ASP H H 65 8.638 8.638 9.338 -0.700 25554 1317 1 2 . 1 1 66 66 THR N N 66 122.463 122.463 117.041 5.422 25554 1318 1 2 . 1 1 66 66 THR C C 66 178.617 178.617 175.316 3.301 25554 1319 1 2 . 1 1 66 66 THR CA C 66 68.048 68.048 62.806 5.242 25554 1320 1 2 . 1 1 66 66 THR CB C 66 71.562 71.562 69.189 2.373 25554 1321 1 2 . 1 1 66 66 THR H H 66 8.293 8.293 8.493 -0.200 25554 1322 1 2 . 1 1 67 67 ALA N N 67 104.865 104.865 128.718 -23.853 25554 1323 1 2 . 1 1 67 67 ALA C C 67 177.738 177.738 177.053 0.685 25554 1324 1 2 . 1 1 67 67 ALA CA C 67 48.722 48.722 51.128 -2.406 25554 1325 1 2 . 1 1 67 67 ALA CB C 67 14.171 14.171 17.800 -3.629 25554 1326 1 2 . 1 1 67 67 ALA H H 67 8.657 8.657 8.059 0.598 25554 1327 1 2 . 1 1 68 68 GLY N N 68 115.357 115.357 109.731 5.626 25554 1328 1 2 . 1 1 68 68 GLY C C 68 189.533 189.533 175.915 13.618 25554 1329 1 2 . 1 1 68 68 GLY CA C 68 45.209 45.209 46.020 -0.811 25554 1330 1 2 . 1 1 68 68 GLY H H 68 10.969 10.969 8.033 2.936 25554 1331 1 2 . 1 1 69 69 GLN N N 69 110.111 110.111 118.963 -8.852 25554 1332 1 2 . 1 1 69 69 GLN C C 69 176.859 176.859 177.076 -0.217 25554 1333 1 2 . 1 1 69 69 GLN CA C 69 55.750 55.750 59.020 -3.270 25554 1334 1 2 . 1 1 69 69 GLN CB C 69 27.640 27.640 28.472 -0.832 25554 1335 1 2 . 1 1 69 69 GLN H H 69 8.344 8.344 8.458 -0.114 25554 1336 1 2 . 1 1 70 70 GLU N N 70 114.826 114.826 118.499 -3.673 25554 1337 1 2 . 1 1 70 70 GLU C C 70 176.273 176.273 177.422 -1.149 25554 1338 1 2 . 1 1 70 70 GLU CA C 70 57.507 57.507 58.225 -0.718 25554 1339 1 2 . 1 1 70 70 GLU CB C 70 28.811 28.811 28.737 0.074 25554 1340 1 2 . 1 1 70 70 GLU H H 70 9.651 9.651 8.612 1.039 25554 1341 1 2 . 1 1 71 71 LYS N N 71 116.685 116.685 119.111 -2.426 25554 1342 1 2 . 1 1 71 71 LYS C C 71 175.979 175.979 178.371 -2.392 25554 1343 1 2 . 1 1 71 71 LYS CA C 71 48.722 48.722 58.525 -9.803 25554 1344 1 2 . 1 1 71 71 LYS CB C 71 37.010 37.010 32.229 4.781 25554 1345 1 2 . 1 1 71 71 LYS H H 71 8.712 8.712 7.549 1.163 25554 1346 1 2 . 1 1 72 72 PHE N N 72 114.959 114.959 117.140 -2.181 25554 1347 1 2 . 1 1 72 72 PHE C C 72 175.686 175.686 176.559 -0.873 25554 1348 1 2 . 1 1 72 72 PHE CA C 72 56.336 56.336 59.651 -3.315 25554 1349 1 2 . 1 1 72 72 PHE CB C 72 36.424 36.424 39.983 -3.559 25554 1350 1 2 . 1 1 72 72 PHE H H 72 7.965 7.965 7.835 0.130 25554 1351 1 2 . 1 1 73 73 GLY N N 73 117.084 117.084 104.299 12.785 25554 1352 1 2 . 1 1 73 73 GLY C C 73 168.068 168.068 172.501 -4.433 25554 1353 1 2 . 1 1 73 73 GLY CA C 73 42.281 42.281 44.727 -2.446 25554 1354 1 2 . 1 1 73 73 GLY H H 73 7.609 7.609 8.179 -0.570 25554 1355 1 2 . 1 1 74 74 GLY N N 74 120.537 120.537 106.664 13.873 25554 1356 1 2 . 1 1 74 74 GLY C C 74 174.514 174.514 174.920 -0.406 25554 1357 1 2 . 1 1 74 74 GLY CA C 74 44.037 44.037 44.764 -0.727 25554 1358 1 2 . 1 1 74 74 GLY H H 74 9.326 9.326 8.281 1.045 25554 1359 1 2 . 1 1 75 75 LEU N N 75 127.177 127.177 122.194 4.983 25554 1360 1 2 . 1 1 75 75 LEU C C 75 178.617 178.617 177.758 0.859 25554 1361 1 2 . 1 1 75 75 LEU CA C 75 53.407 53.407 54.753 -1.346 25554 1362 1 2 . 1 1 75 75 LEU CB C 75 42.281 42.281 42.469 -0.189 25554 1363 1 2 . 1 1 75 75 LEU H H 75 7.628 7.628 8.666 -1.038 25554 1364 1 2 . 1 1 76 76 ARG N N 76 116.486 116.486 121.729 -5.243 25554 1365 1 2 . 1 1 76 76 ARG C C 76 176.859 176.859 176.951 -0.092 25554 1366 1 2 . 1 1 76 76 ARG CA C 76 59.264 59.264 56.026 3.238 25554 1367 1 2 . 1 1 76 76 ARG CB C 76 31.154 31.154 31.357 -0.203 25554 1368 1 2 . 1 1 76 76 ARG H H 76 7.143 7.143 8.253 -1.110 25554 1369 1 2 . 1 1 77 77 ASP N N 77 129.236 129.236 121.537 7.699 25554 1370 1 2 . 1 1 77 77 ASP C C 77 177.152 177.152 178.513 -1.361 25554 1371 1 2 . 1 1 77 77 ASP CA C 77 52.822 52.822 57.706 -4.885 25554 1372 1 2 . 1 1 77 77 ASP CB C 77 41.695 41.695 40.476 1.219 25554 1373 1 2 . 1 1 77 77 ASP H H 77 8.947 8.947 8.910 0.037 25554 1374 1 2 . 1 1 78 78 GLY N N 78 127.244 127.244 107.479 19.765 25554 1375 1 2 . 1 1 78 78 GLY C C 78 173.928 173.928 175.285 -1.357 25554 1376 1 2 . 1 1 78 78 GLY CA C 78 44.623 44.623 47.101 -2.478 25554 1377 1 2 . 1 1 78 78 GLY H H 78 8.219 8.219 8.535 -0.316 25554 1378 1 2 . 1 1 79 79 TYR N N 79 120.537 120.537 121.075 -0.538 25554 1379 1 2 . 1 1 79 79 TYR C C 79 176.273 176.273 176.453 -0.180 25554 1380 1 2 . 1 1 79 79 TYR CA C 79 58.678 58.678 60.945 -2.267 25554 1381 1 2 . 1 1 79 79 TYR CB C 79 40.524 40.524 38.785 1.740 25554 1382 1 2 . 1 1 79 79 TYR H H 79 8.563 8.563 7.541 1.022 25554 1383 1 2 . 1 1 80 80 TYR N N 80 115.822 115.822 115.178 0.644 25554 1384 1 2 . 1 1 80 80 TYR C C 80 175.979 175.979 176.658 -0.679 25554 1385 1 2 . 1 1 80 80 TYR CA C 80 58.092 58.092 60.676 -2.584 25554 1386 1 2 . 1 1 80 80 TYR CB C 80 38.181 38.181 38.601 -0.420 25554 1387 1 2 . 1 1 80 80 TYR H H 80 7.194 7.194 7.393 -0.199 25554 1388 1 2 . 1 1 81 81 ILE N N 81 120.072 120.072 118.853 1.219 25554 1389 1 2 . 1 1 81 81 ILE C C 81 177.445 177.445 175.995 1.450 25554 1390 1 2 . 1 1 81 81 ILE CA C 81 67.462 67.462 63.335 4.127 25554 1391 1 2 . 1 1 81 81 ILE CB C 81 41.109 41.109 37.885 3.224 25554 1392 1 2 . 1 1 81 81 ILE H H 81 8.837 8.837 8.158 0.679 25554 1393 1 2 . 1 1 82 82 GLN N N 82 109.580 109.580 118.620 -9.040 25554 1394 1 2 . 1 1 82 82 GLN C C 82 177.152 177.152 174.440 2.712 25554 1395 1 2 . 1 1 82 82 GLN CA C 82 56.336 56.336 56.373 -0.037 25554 1396 1 2 . 1 1 82 82 GLN CB C 82 24.126 24.126 26.009 -1.883 25554 1397 1 2 . 1 1 82 82 GLN H H 82 8.493 8.493 8.758 -0.265 25554 1398 1 2 . 1 1 83 83 ALA N N 83 109.713 109.713 121.047 -11.334 25554 1399 1 2 . 1 1 83 83 ALA C C 83 175.979 175.979 176.653 -0.674 25554 1400 1 2 . 1 1 83 83 ALA CA C 83 54.579 54.579 51.670 2.909 25554 1401 1 2 . 1 1 83 83 ALA CB C 83 16.513 16.513 19.117 -2.604 25554 1402 1 2 . 1 1 83 83 ALA H H 83 6.306 6.306 7.453 -1.147 25554 1403 1 2 . 1 1 84 84 GLN N N 84 131.380 131.380 123.289 8.091 25554 1404 1 2 . 1 1 84 84 GLN C C 84 175.686 175.686 175.979 -0.293 25554 1405 1 2 . 1 1 84 84 GLN CA C 84 51.065 51.065 58.199 -7.134 25554 1406 1 2 . 1 1 84 84 GLN CB C 84 32.325 32.325 29.985 2.340 25554 1407 1 2 . 1 1 84 84 GLN H H 84 11.169 11.169 8.328 2.841 25554 1408 1 2 . 1 1 85 85 CYS N N 85 124.322 124.322 110.964 13.358 25554 1409 1 2 . 1 1 85 85 CYS C C 85 173.049 173.049 172.656 0.393 25554 1410 1 2 . 1 1 85 85 CYS CA C 85 57.507 57.507 55.929 1.578 25554 1411 1 2 . 1 1 85 85 CYS CB C 85 35.253 35.253 31.641 3.612 25554 1412 1 2 . 1 1 85 85 CYS H H 85 8.602 8.602 7.993 0.609 25554 1413 1 2 . 1 1 86 86 ALA N N 86 114.295 114.295 122.778 -8.483 25554 1414 1 2 . 1 1 86 86 ALA CA C 86 57.507 57.507 50.522 6.985 25554 1415 1 2 . 1 1 86 86 ALA CB C 86 21.784 21.784 22.799 -1.015 25554 1416 1 2 . 1 1 86 86 ALA H H 86 6.897 6.897 9.209 -2.312 25554 1417 1 2 . 1 1 87 87 ILE N N 87 120.670 120.670 120.344 0.326 25554 1418 1 2 . 1 1 87 87 ILE C C 87 173.928 173.928 174.607 -0.679 25554 1419 1 2 . 1 1 87 87 ILE CA C 87 61.020 61.020 59.918 1.102 25554 1420 1 2 . 1 1 87 87 ILE CB C 87 39.938 39.938 41.300 -1.361 25554 1421 1 2 . 1 1 87 87 ILE H H 87 8.282 8.282 8.618 -0.336 25554 1422 1 2 . 1 1 88 88 ILE N N 88 120.205 120.205 127.365 -7.160 25554 1423 1 2 . 1 1 88 88 ILE C C 88 173.635 173.635 175.058 -1.423 25554 1424 1 2 . 1 1 88 88 ILE CA C 88 64.534 64.534 59.908 4.626 25554 1425 1 2 . 1 1 88 88 ILE CB C 88 37.596 37.596 40.224 -2.628 25554 1426 1 2 . 1 1 88 88 ILE H H 88 5.528 5.528 9.041 -3.513 25554 1427 1 2 . 1 1 89 89 MET N N 89 119.209 119.209 126.219 -7.010 25554 1428 1 2 . 1 1 89 89 MET C C 89 176.566 176.566 175.240 1.326 25554 1429 1 2 . 1 1 89 89 MET CA C 89 56.921 56.921 54.035 2.886 25554 1430 1 2 . 1 1 89 89 MET CB C 89 34.668 34.668 35.199 -0.531 25554 1431 1 2 . 1 1 89 89 MET H H 89 8.164 8.164 8.849 -0.685 25554 1432 1 2 . 1 1 90 90 PHE N N 90 121.134 121.134 118.017 3.117 25554 1433 1 2 . 1 1 90 90 PHE C C 90 175.393 175.393 173.212 2.181 25554 1434 1 2 . 1 1 90 90 PHE CA C 90 60.435 60.435 55.357 5.078 25554 1435 1 2 . 1 1 90 90 PHE CB C 90 38.767 38.767 42.367 -3.600 25554 1436 1 2 . 1 1 90 90 PHE H H 90 9.334 9.334 8.577 0.757 25554 1437 1 2 . 1 1 91 91 ASP N N 91 125.185 125.185 121.524 3.661 25554 1438 1 2 . 1 1 91 91 ASP C C 91 176.566 176.566 177.560 -0.994 25554 1439 1 2 . 1 1 91 91 ASP CA C 91 52.822 52.822 52.764 0.058 25554 1440 1 2 . 1 1 91 91 ASP CB C 91 39.938 39.938 42.817 -2.879 25554 1441 1 2 . 1 1 91 91 ASP H H 91 9.056 9.056 8.331 0.725 25554 1442 1 2 . 1 1 92 92 VAL N N 92 115.158 115.158 120.417 -5.259 25554 1443 1 2 . 1 1 92 92 VAL C C 92 173.342 173.342 177.766 -4.424 25554 1444 1 2 . 1 1 92 92 VAL CA C 92 64.534 64.534 65.087 -0.553 25554 1445 1 2 . 1 1 92 92 VAL CB C 92 37.596 37.596 31.679 5.917 25554 1446 1 2 . 1 1 92 92 VAL H H 92 7.738 7.738 8.700 -0.962 25554 1447 1 2 . 1 1 93 93 THR N N 93 112.302 112.302 116.152 -3.850 25554 1448 1 2 . 1 1 93 93 THR C C 93 177.152 177.152 174.930 2.222 25554 1449 1 2 . 1 1 93 93 THR CA C 93 64.534 64.534 65.896 -1.362 25554 1450 1 2 . 1 1 93 93 THR CB C 93 72.147 72.147 69.038 3.109 25554 1451 1 2 . 1 1 93 93 THR H H 93 7.269 7.269 8.731 -1.462 25554 1452 1 2 . 1 1 94 94 SER N N 94 122.263 122.263 114.372 7.891 25554 1453 1 2 . 1 1 94 94 SER C C 94 163.965 163.965 175.205 -11.240 25554 1454 1 2 . 1 1 94 94 SER CA C 94 59.849 59.849 55.925 3.924 25554 1455 1 2 . 1 1 94 94 SER CB C 94 62.192 62.192 63.797 -1.605 25554 1456 1 2 . 1 1 94 94 SER H H 94 7.628 7.628 8.131 -0.503 25554 1457 1 2 . 1 1 95 95 ARG N N 95 113.099 113.099 128.269 -15.170 25554 1458 1 2 . 1 1 95 95 ARG C C 95 176.273 176.273 178.068 -1.795 25554 1459 1 2 . 1 1 95 95 ARG CA C 95 53.407 53.407 59.228 -5.821 25554 1460 1 2 . 1 1 95 95 ARG CB C 95 31.154 31.154 30.121 1.033 25554 1461 1 2 . 1 1 95 95 ARG H H 95 8.102 8.102 9.157 -1.055 25554 1462 1 2 . 1 1 96 96 VAL N N 96 124.787 124.787 118.566 6.221 25554 1463 1 2 . 1 1 96 96 VAL C C 96 178.031 178.031 177.541 0.490 25554 1464 1 2 . 1 1 96 96 VAL CA C 96 68.634 68.634 66.216 2.418 25554 1465 1 2 . 1 1 96 96 VAL CB C 96 24.126 24.126 31.577 -7.451 25554 1466 1 2 . 1 1 96 96 VAL H H 96 9.146 9.146 7.749 1.397 25554 1467 1 2 . 1 1 97 97 THR N N 97 111.970 111.970 113.340 -1.370 25554 1468 1 2 . 1 1 97 97 THR C C 97 178.031 178.031 176.317 1.714 25554 1469 1 2 . 1 1 97 97 THR CA C 97 63.949 63.949 65.567 -1.618 25554 1470 1 2 . 1 1 97 97 THR CB C 97 70.390 70.390 69.076 1.314 25554 1471 1 2 . 1 1 97 97 THR H H 97 7.984 7.984 7.682 0.302 25554 1472 1 2 . 1 1 98 98 TYR N N 98 113.232 113.232 122.879 -9.647 25554 1473 1 2 . 1 1 98 98 TYR C C 98 176.273 176.273 177.087 -0.814 25554 1474 1 2 . 1 1 98 98 TYR H H 98 7.605 7.605 7.697 -0.092 25554 1475 1 2 . 1 1 99 99 LYS N N 99 121.998 121.998 119.137 2.861 25554 1476 1 2 . 1 1 99 99 LYS C C 99 174.221 174.221 178.661 -4.440 25554 1477 1 2 . 1 1 99 99 LYS CA C 99 59.264 59.264 59.249 0.015 25554 1478 1 2 . 1 1 99 99 LYS CB C 99 34.668 34.668 32.525 2.143 25554 1479 1 2 . 1 1 99 99 LYS H H 99 8.129 8.129 7.945 0.184 25554 1480 1 2 . 1 1 100 100 ASN N N 100 111.970 111.970 117.488 -5.518 25554 1481 1 2 . 1 1 100 100 ASN C C 100 175.979 175.979 177.523 -1.544 25554 1482 1 2 . 1 1 100 100 ASN CA C 100 53.407 53.407 55.312 -1.905 25554 1483 1 2 . 1 1 100 100 ASN CB C 100 37.596 37.596 38.430 -0.834 25554 1484 1 2 . 1 1 100 100 ASN H H 100 5.778 5.778 7.953 -2.175 25554 1485 1 2 . 1 1 101 101 VAL N N 101 118.877 118.877 120.988 -2.111 25554 1486 1 2 . 1 1 101 101 VAL C C 101 173.635 173.635 174.653 -1.018 25554 1487 1 2 . 1 1 101 101 VAL CA C 101 62.777 62.777 68.684 -5.907 25554 1488 1 2 . 1 1 101 101 VAL CB C 101 27.054 27.054 29.295 -2.241 25554 1489 1 2 . 1 1 101 101 VAL H H 101 7.370 7.370 7.531 -0.161 25554 1490 1 2 . 1 1 102 102 PRO C C 102 176.566 176.566 178.722 -2.156 25554 1491 1 2 . 1 1 102 102 PRO CA C 102 62.500 62.500 66.333 -3.833 25554 1492 1 2 . 1 1 102 102 PRO CB C 102 30.853 30.853 31.131 -0.278 25554 1493 1 2 . 1 1 103 103 ASN N N 103 122.728 122.728 116.885 5.843 25554 1494 1 2 . 1 1 103 103 ASN C C 103 175.100 175.100 177.413 -2.313 25554 1495 1 2 . 1 1 103 103 ASN CA C 103 54.579 54.579 56.032 -1.453 25554 1496 1 2 . 1 1 103 103 ASN CB C 103 38.767 38.767 37.825 0.942 25554 1497 1 2 . 1 1 103 103 ASN H H 103 7.879 7.879 8.665 -0.786 25554 1498 1 2 . 1 1 104 104 TRP N N 104 132.158 132.158 120.999 11.159 25554 1499 1 2 . 1 1 104 104 TRP C C 104 176.273 176.273 178.876 -2.603 25554 1500 1 2 . 1 1 104 104 TRP CA C 104 60.435 60.435 61.470 -1.035 25554 1501 1 2 . 1 1 104 104 TRP CB C 104 29.983 29.983 29.212 0.771 25554 1502 1 2 . 1 1 104 104 TRP H H 104 9.541 9.541 7.559 1.982 25554 1503 1 2 . 1 1 105 105 HIS N N 105 120.869 120.869 118.676 2.193 25554 1504 1 2 . 1 1 105 105 HIS C C 105 177.738 177.738 177.399 0.339 25554 1505 1 2 . 1 1 105 105 HIS H H 105 6.971 6.971 8.656 -1.685 25554 1506 1 2 . 1 1 106 106 ARG N N 106 126.314 126.314 119.106 7.208 25554 1507 1 2 . 1 1 106 106 ARG C C 106 176.566 176.566 178.322 -1.756 25554 1508 1 2 . 1 1 106 106 ARG CA C 106 62.777 62.777 59.887 2.890 25554 1509 1 2 . 1 1 106 106 ARG CB C 106 29.397 29.397 30.049 -0.652 25554 1510 1 2 . 1 1 106 106 ARG H H 106 7.507 7.507 8.326 -0.819 25554 1511 1 2 . 1 1 107 107 ASP N N 107 119.076 119.076 119.726 -0.650 25554 1512 1 2 . 1 1 107 107 ASP C C 107 176.566 176.566 178.553 -1.987 25554 1513 1 2 . 1 1 107 107 ASP CA C 107 55.164 55.164 57.089 -1.925 25554 1514 1 2 . 1 1 107 107 ASP CB C 107 41.695 41.695 40.403 1.292 25554 1515 1 2 . 1 1 107 107 ASP H H 107 9.076 9.076 8.058 1.018 25554 1516 1 2 . 1 1 108 108 LEU N N 108 113.299 113.299 121.212 -7.913 25554 1517 1 2 . 1 1 108 108 LEU C C 108 176.273 176.273 178.262 -1.989 25554 1518 1 2 . 1 1 108 108 LEU CA C 108 59.264 59.264 57.529 1.735 25554 1519 1 2 . 1 1 108 108 LEU CB C 108 48.722 48.722 41.992 6.730 25554 1520 1 2 . 1 1 108 108 LEU H H 108 6.725 6.725 7.949 -1.224 25554 1521 1 2 . 1 1 109 109 VAL N N 109 121.267 121.267 119.210 2.057 25554 1522 1 2 . 1 1 109 109 VAL C C 109 175.393 175.393 178.300 -2.907 25554 1523 1 2 . 1 1 109 109 VAL CA C 109 63.949 63.949 66.042 -2.093 25554 1524 1 2 . 1 1 109 109 VAL CB C 109 32.911 32.911 31.289 1.622 25554 1525 1 2 . 1 1 109 109 VAL H H 109 8.763 8.763 8.148 0.615 25554 1526 1 2 . 1 1 110 110 ARG N N 110 112.900 112.900 118.463 -5.563 25554 1527 1 2 . 1 1 110 110 ARG C C 110 176.273 176.273 178.759 -2.486 25554 1528 1 2 . 1 1 110 110 ARG CA C 110 57.507 57.507 58.839 -1.332 25554 1529 1 2 . 1 1 110 110 ARG CB C 110 30.568 30.568 30.232 0.336 25554 1530 1 2 . 1 1 110 110 ARG H H 110 7.241 7.241 7.440 -0.199 25554 1531 1 2 . 1 1 111 111 VAL N N 111 115.556 115.556 117.803 -2.247 25554 1532 1 2 . 1 1 111 111 VAL C C 111 177.445 177.445 176.397 1.048 25554 1533 1 2 . 1 1 111 111 VAL CA C 111 59.849 59.849 65.052 -5.203 25554 1534 1 2 . 1 1 111 111 VAL CB C 111 32.911 32.911 32.409 0.502 25554 1535 1 2 . 1 1 111 111 VAL H H 111 7.566 7.566 7.270 0.296 25554 1536 1 2 . 1 1 112 112 CYS N N 112 114.295 114.295 118.550 -4.255 25554 1537 1 2 . 1 1 112 112 CYS C C 112 169.826 169.826 172.967 -3.141 25554 1538 1 2 . 1 1 112 112 CYS CA C 112 57.507 57.507 58.214 -0.707 25554 1539 1 2 . 1 1 112 112 CYS CB C 112 35.839 35.839 30.321 5.518 25554 1540 1 2 . 1 1 112 112 CYS H H 112 7.425 7.425 7.978 -0.553 25554 1541 1 2 . 1 1 113 113 GLU N N 113 116.486 116.486 126.178 -9.692 25554 1542 1 2 . 1 1 113 113 GLU C C 113 176.566 176.566 176.377 0.189 25554 1543 1 2 . 1 1 113 113 GLU CA C 113 69.219 69.219 56.468 12.751 25554 1544 1 2 . 1 1 113 113 GLU CB C 113 30.568 30.568 30.466 0.102 25554 1545 1 2 . 1 1 113 113 GLU H H 113 7.241 7.241 8.714 -1.473 25554 1546 1 2 . 1 1 114 114 ASN N N 114 129.302 129.302 119.667 9.635 25554 1547 1 2 . 1 1 114 114 ASN C C 114 175.100 175.100 174.898 0.202 25554 1548 1 2 . 1 1 114 114 ASN CA C 114 52.236 52.236 54.099 -1.863 25554 1549 1 2 . 1 1 114 114 ASN CB C 114 39.938 39.938 37.209 2.729 25554 1550 1 2 . 1 1 114 114 ASN H H 114 8.919 8.919 8.713 0.206 25554 1551 1 2 . 1 1 115 115 ILE N N 115 110.443 110.443 115.511 -5.068 25554 1552 1 2 . 1 1 115 115 ILE C C 115 175.100 175.100 174.445 0.655 25554 1553 1 2 . 1 1 115 115 ILE CA C 115 65.705 65.705 58.792 6.913 25554 1554 1 2 . 1 1 115 115 ILE CB C 115 39.353 39.353 38.306 1.047 25554 1555 1 2 . 1 1 115 115 ILE H H 115 9.287 9.287 7.545 1.742 25554 1556 1 2 . 1 1 116 116 PRO C C 116 175.979 175.979 175.528 0.451 25554 1557 1 2 . 1 1 116 116 PRO CA C 116 63.086 63.086 62.995 0.091 25554 1558 1 2 . 1 1 116 116 PRO CB C 116 29.681 29.681 32.501 -2.820 25554 1559 1 2 . 1 1 117 117 ILE N N 117 123.591 123.591 124.319 -0.728 25554 1560 1 2 . 1 1 117 117 ILE C C 117 174.807 174.807 174.880 -0.073 25554 1561 1 2 . 1 1 117 117 ILE CA C 117 66.291 66.291 59.887 6.404 25554 1562 1 2 . 1 1 117 117 ILE CB C 117 38.767 38.767 42.522 -3.755 25554 1563 1 2 . 1 1 117 117 ILE H H 117 7.781 7.781 8.649 -0.868 25554 1564 1 2 . 1 1 118 118 VAL N N 118 119.009 119.009 124.972 -5.963 25554 1565 1 2 . 1 1 118 118 VAL C C 118 178.324 178.324 174.454 3.870 25554 1566 1 2 . 1 1 118 118 VAL CA C 118 62.777 62.777 60.839 1.938 25554 1567 1 2 . 1 1 118 118 VAL CB C 118 31.154 31.154 34.163 -3.010 25554 1568 1 2 . 1 1 118 118 VAL H H 118 8.767 8.767 8.633 0.134 25554 1569 1 2 . 1 1 119 119 LEU N N 119 119.408 119.408 128.110 -8.702 25554 1570 1 2 . 1 1 119 119 LEU C C 119 178.031 178.031 175.781 2.250 25554 1571 1 2 . 1 1 119 119 LEU CA C 119 42.866 42.866 53.723 -10.857 25554 1572 1 2 . 1 1 119 119 LEU CB C 119 38.767 38.767 44.990 -6.223 25554 1573 1 2 . 1 1 119 119 LEU H H 119 7.734 7.734 9.143 -1.409 25554 1574 1 2 . 1 1 120 120 CYS N N 120 113.232 113.232 121.882 -8.650 25554 1575 1 2 . 1 1 120 120 CYS C C 120 178.031 178.031 173.832 4.199 25554 1576 1 2 . 1 1 120 120 CYS H H 120 8.317 8.317 9.199 -0.882 25554 1577 1 2 . 1 1 121 121 GLY N N 121 117.349 117.349 112.550 4.799 25554 1578 1 2 . 1 1 121 121 GLY C C 121 176.851 176.851 172.393 4.458 25554 1579 1 2 . 1 1 121 121 GLY CA C 121 41.109 41.109 43.417 -2.308 25554 1580 1 2 . 1 1 121 121 GLY H H 121 7.515 7.515 8.728 -1.213 25554 1581 1 2 . 1 1 122 122 ASN N N 122 125.318 125.318 123.846 1.472 25554 1582 1 2 . 1 1 122 122 ASN C C 122 175.686 175.686 175.462 0.224 25554 1583 1 2 . 1 1 122 122 ASN CA C 122 50.479 50.479 51.674 -1.195 25554 1584 1 2 . 1 1 122 122 ASN CB C 122 39.353 39.353 41.686 -2.333 25554 1585 1 2 . 1 1 122 122 ASN H H 122 9.162 9.162 8.194 0.968 25554 1586 1 2 . 1 1 123 123 LYS N N 123 124.920 124.920 117.656 7.264 25554 1587 1 2 . 1 1 123 123 LYS C C 123 176.566 176.566 177.532 -0.966 25554 1588 1 2 . 1 1 123 123 LYS CA C 123 70.976 70.976 57.369 13.607 25554 1589 1 2 . 1 1 123 123 LYS CB C 123 35.253 35.253 30.352 4.901 25554 1590 1 2 . 1 1 123 123 LYS H H 123 8.086 8.086 8.354 -0.268 25554 1591 1 2 . 1 1 124 124 VAL N N 124 125.517 125.517 117.736 7.781 25554 1592 1 2 . 1 1 124 124 VAL C C 124 177.738 177.738 176.810 0.928 25554 1593 1 2 . 1 1 124 124 VAL CA C 124 62.777 62.777 65.273 -2.496 25554 1594 1 2 . 1 1 124 124 VAL CB C 124 33.496 33.496 31.453 2.043 25554 1595 1 2 . 1 1 124 124 VAL H H 124 9.483 9.483 7.820 1.663 25554 1596 1 2 . 1 1 125 125 ASP N N 125 119.607 119.607 119.298 0.309 25554 1597 1 2 . 1 1 125 125 ASP C C 125 176.566 176.566 176.797 -0.231 25554 1598 1 2 . 1 1 125 125 ASP CA C 125 55.750 55.750 56.096 -0.346 25554 1599 1 2 . 1 1 125 125 ASP CB C 125 40.524 40.524 41.004 -0.480 25554 1600 1 2 . 1 1 125 125 ASP H H 125 7.875 7.875 7.899 -0.024 25554 1601 1 2 . 1 1 126 126 ILE N N 126 116.088 116.088 120.862 -4.774 25554 1602 1 2 . 1 1 126 126 ILE C C 126 177.152 177.152 177.144 0.008 25554 1603 1 2 . 1 1 126 126 ILE CA C 126 66.291 66.291 61.892 4.399 25554 1604 1 2 . 1 1 126 126 ILE CB C 126 39.353 39.353 38.266 1.087 25554 1605 1 2 . 1 1 126 126 ILE H H 126 7.511 7.511 7.392 0.119 25554 1606 1 2 . 1 1 127 127 LYS N N 127 117.681 117.681 126.502 -8.821 25554 1607 1 2 . 1 1 127 127 LYS C C 127 177.152 177.152 176.751 0.401 25554 1608 1 2 . 1 1 127 127 LYS CA C 127 57.507 57.507 58.959 -1.452 25554 1609 1 2 . 1 1 127 127 LYS CB C 127 31.154 31.154 32.511 -1.357 25554 1610 1 2 . 1 1 127 127 LYS H H 127 8.059 8.059 8.655 -0.596 25554 1611 1 2 . 1 1 128 128 ASP N N 128 118.279 118.279 119.484 -1.205 25554 1612 1 2 . 1 1 128 128 ASP C C 128 176.566 176.566 175.155 1.411 25554 1613 1 2 . 1 1 128 128 ASP CA C 128 53.407 53.407 53.059 0.348 25554 1614 1 2 . 1 1 128 128 ASP CB C 128 40.524 40.524 39.850 0.673 25554 1615 1 2 . 1 1 128 128 ASP H H 128 7.241 7.241 8.125 -0.884 25554 1616 1 2 . 1 1 129 129 ARG N N 129 118.943 118.943 125.336 -6.393 25554 1617 1 2 . 1 1 129 129 ARG C C 129 177.738 177.738 176.480 1.258 25554 1618 1 2 . 1 1 129 129 ARG CA C 129 45.794 45.794 55.687 -9.893 25554 1619 1 2 . 1 1 129 129 ARG CB C 129 31.154 31.154 30.348 0.806 25554 1620 1 2 . 1 1 129 129 ARG H H 129 8.423 8.423 7.903 0.520 25554 1621 1 2 . 1 1 130 130 LYS N N 130 109.381 109.381 122.392 -13.011 25554 1622 1 2 . 1 1 130 130 LYS C C 130 176.566 176.566 177.223 -0.657 25554 1623 1 2 . 1 1 130 130 LYS CA C 130 55.164 55.164 58.517 -3.353 25554 1624 1 2 . 1 1 130 130 LYS CB C 130 36.424 36.424 32.917 3.507 25554 1625 1 2 . 1 1 130 130 LYS H H 130 7.296 7.296 8.358 -1.062 25554 1626 1 2 . 1 1 131 131 VAL N N 131 110.377 110.377 119.241 -8.864 25554 1627 1 2 . 1 1 131 131 VAL C C 131 178.617 178.617 175.489 3.128 25554 1628 1 2 . 1 1 131 131 VAL CA C 131 65.705 65.705 62.489 3.216 25554 1629 1 2 . 1 1 131 131 VAL CB C 131 35.839 35.839 31.915 3.924 25554 1630 1 2 . 1 1 131 131 VAL H H 131 9.283 9.283 7.838 1.445 25554 1631 1 2 . 1 1 132 132 LYS N N 132 110.310 110.310 126.719 -16.409 25554 1632 1 2 . 1 1 132 132 LYS C C 132 176.273 176.273 177.308 -1.035 25554 1633 1 2 . 1 1 132 132 LYS CA C 132 59.849 59.849 54.233 5.616 25554 1634 1 2 . 1 1 132 132 LYS CB C 132 35.253 35.253 34.772 0.481 25554 1635 1 2 . 1 1 132 132 LYS H H 132 9.709 9.709 7.602 2.107 25554 1636 1 2 . 1 1 133 133 ALA N N 133 134.349 134.349 124.610 9.739 25554 1637 1 2 . 1 1 133 133 ALA CA C 133 51.065 51.065 55.192 -4.127 25554 1638 1 2 . 1 1 133 133 ALA CB C 133 12.999 12.999 18.008 -5.008 25554 1639 1 2 . 1 1 133 133 ALA H H 133 6.322 6.322 8.685 -2.363 25554 1640 1 2 . 1 1 134 134 LYS N N 134 117.615 117.615 116.960 0.655 25554 1641 1 2 . 1 1 134 134 LYS C C 134 176.859 176.859 177.703 -0.844 25554 1642 1 2 . 1 1 134 134 LYS CA C 134 55.750 55.750 59.145 -3.394 25554 1643 1 2 . 1 1 134 134 LYS CB C 134 54.579 54.579 32.244 22.335 25554 1644 1 2 . 1 1 134 134 LYS H H 134 6.549 6.549 8.397 -1.848 25554 1645 1 2 . 1 1 135 135 SER N N 135 109.314 109.314 111.806 -2.492 25554 1646 1 2 . 1 1 135 135 SER C C 135 173.635 173.635 174.081 -0.446 25554 1647 1 2 . 1 1 135 135 SER CA C 135 56.336 56.336 57.646 -1.310 25554 1648 1 2 . 1 1 135 135 SER CB C 135 63.949 63.949 63.105 0.844 25554 1649 1 2 . 1 1 135 135 SER H H 135 7.840 7.840 7.491 0.349 25554 1650 1 2 . 1 1 136 136 ILE N N 136 124.123 124.123 124.609 -0.486 25554 1651 1 2 . 1 1 136 136 ILE C C 136 175.100 175.100 176.531 -1.431 25554 1652 1 2 . 1 1 136 136 ILE CA C 136 68.634 68.634 61.401 7.232 25554 1653 1 2 . 1 1 136 136 ILE CB C 136 43.452 43.452 35.962 7.490 25554 1654 1 2 . 1 1 136 136 ILE H H 136 8.098 8.098 7.176 0.922 25554 1655 1 2 . 1 1 137 137 VAL N N 137 113.232 113.232 123.970 -10.738 25554 1656 1 2 . 1 1 137 137 VAL C C 137 176.859 176.859 176.650 0.209 25554 1657 1 2 . 1 1 137 137 VAL CA C 137 64.534 64.534 63.875 0.659 25554 1658 1 2 . 1 1 137 137 VAL CB C 137 34.082 34.082 31.930 2.151 25554 1659 1 2 . 1 1 137 137 VAL H H 137 7.711 7.711 8.735 -1.024 25554 1660 1 2 . 1 1 138 138 PHE N N 138 118.279 118.279 122.087 -3.808 25554 1661 1 2 . 1 1 138 138 PHE C C 138 175.393 175.393 176.297 -0.904 25554 1662 1 2 . 1 1 138 138 PHE CA C 138 58.092 58.092 61.934 -3.842 25554 1663 1 2 . 1 1 138 138 PHE CB C 138 39.353 39.353 38.987 0.366 25554 1664 1 2 . 1 1 138 138 PHE H H 138 8.317 8.317 7.816 0.501 25554 1665 1 2 . 1 1 139 139 HIS N N 139 107.654 107.654 116.344 -8.690 25554 1666 1 2 . 1 1 139 139 HIS C C 139 175.979 175.979 177.266 -1.287 25554 1667 1 2 . 1 1 139 139 HIS CA C 139 53.993 53.993 60.081 -6.088 25554 1668 1 2 . 1 1 139 139 HIS CB C 139 28.811 28.811 29.279 -0.468 25554 1669 1 2 . 1 1 139 139 HIS H H 139 8.016 8.016 8.412 -0.396 25554 1670 1 2 . 1 1 140 140 ARG N N 140 117.084 117.084 119.375 -2.291 25554 1671 1 2 . 1 1 140 140 ARG C C 140 176.859 176.859 177.687 -0.828 25554 1672 1 2 . 1 1 140 140 ARG CA C 140 57.507 57.507 58.508 -1.001 25554 1673 1 2 . 1 1 140 140 ARG CB C 140 31.739 31.739 29.746 1.993 25554 1674 1 2 . 1 1 140 140 ARG H H 140 8.763 8.763 7.705 1.058 25554 1675 1 2 . 1 1 141 141 LYS N N 141 115.623 115.623 117.310 -1.687 25554 1676 1 2 . 1 1 141 141 LYS C C 141 173.635 173.635 178.297 -4.662 25554 1677 1 2 . 1 1 141 141 LYS CA C 141 58.092 58.092 58.419 -0.327 25554 1678 1 2 . 1 1 141 141 LYS CB C 141 33.496 33.496 32.429 1.067 25554 1679 1 2 . 1 1 141 141 LYS H H 141 7.449 7.449 7.349 0.100 25554 1680 1 2 . 1 1 142 142 LYS N N 142 114.162 114.162 114.906 -0.744 25554 1681 1 2 . 1 1 142 142 LYS C C 142 175.979 175.979 176.208 -0.229 25554 1682 1 2 . 1 1 142 142 LYS CA C 142 51.065 51.065 54.685 -3.620 25554 1683 1 2 . 1 1 142 142 LYS CB C 142 34.668 34.668 32.411 2.256 25554 1684 1 2 . 1 1 142 142 LYS H H 142 8.982 8.982 7.308 1.674 25554 1685 1 2 . 1 1 143 143 ASN N N 143 112.103 112.103 114.621 -2.518 25554 1686 1 2 . 1 1 143 143 ASN C C 143 175.100 175.100 174.354 0.746 25554 1687 1 2 . 1 1 143 143 ASN CA C 143 53.407 53.407 54.135 -0.728 25554 1688 1 2 . 1 1 143 143 ASN CB C 143 39.938 39.938 37.089 2.849 25554 1689 1 2 . 1 1 143 143 ASN H H 143 7.402 7.402 8.418 -1.016 25554 1690 1 2 . 1 1 144 144 LEU N N 144 118.810 118.810 118.535 0.275 25554 1691 1 2 . 1 1 144 144 LEU CA C 144 53.993 53.993 54.593 -0.600 25554 1692 1 2 . 1 1 144 144 LEU CB C 144 42.866 42.866 43.050 -0.184 25554 1693 1 2 . 1 1 144 144 LEU H H 144 7.793 7.793 7.669 0.124 25554 1694 1 2 . 1 1 145 145 GLN N N 145 119.607 119.607 117.952 1.655 25554 1695 1 2 . 1 1 145 145 GLN C C 145 176.859 176.859 174.176 2.683 25554 1696 1 2 . 1 1 145 145 GLN CA C 145 55.164 55.164 53.091 2.073 25554 1697 1 2 . 1 1 145 145 GLN CB C 145 29.983 29.983 31.510 -1.527 25554 1698 1 2 . 1 1 145 145 GLN H H 145 7.014 7.014 7.582 -0.568 25554 1699 1 2 . 1 1 146 146 TYR N N 146 119.275 119.275 122.283 -3.008 25554 1700 1 2 . 1 1 146 146 TYR C C 146 174.807 174.807 174.102 0.705 25554 1701 1 2 . 1 1 146 146 TYR CA C 146 62.777 62.777 55.418 7.359 25554 1702 1 2 . 1 1 146 146 TYR CB C 146 41.109 41.109 40.436 0.673 25554 1703 1 2 . 1 1 146 146 TYR H H 146 9.350 9.350 8.282 1.068 25554 1704 1 2 . 1 1 147 147 TYR N N 147 123.658 123.658 125.034 -1.376 25554 1705 1 2 . 1 1 147 147 TYR C C 147 177.738 177.738 173.310 4.428 25554 1706 1 2 . 1 1 147 147 TYR CA C 147 58.092 58.092 56.016 2.076 25554 1707 1 2 . 1 1 147 147 TYR CB C 147 39.938 39.938 42.670 -2.732 25554 1708 1 2 . 1 1 147 147 TYR H H 147 8.340 8.340 8.240 0.100 25554 1709 1 2 . 1 1 148 148 ASP N N 148 121.267 121.267 120.888 0.379 25554 1710 1 2 . 1 1 148 148 ASP C C 148 176.859 176.859 174.512 2.347 25554 1711 1 2 . 1 1 148 148 ASP CA C 148 54.579 54.579 52.922 1.657 25554 1712 1 2 . 1 1 148 148 ASP CB C 148 41.109 41.109 41.848 -0.739 25554 1713 1 2 . 1 1 148 148 ASP H H 148 8.911 8.911 8.355 0.556 25554 1714 1 2 . 1 1 149 149 ILE N N 149 119.607 119.607 123.063 -3.456 25554 1715 1 2 . 1 1 149 149 ILE C C 149 174.807 174.807 173.621 1.186 25554 1716 1 2 . 1 1 149 149 ILE CA C 149 61.020 61.020 60.328 0.692 25554 1717 1 2 . 1 1 149 149 ILE CB C 149 39.353 39.353 41.156 -1.803 25554 1718 1 2 . 1 1 149 149 ILE H H 149 8.712 8.712 8.897 -0.185 25554 1719 1 2 . 1 1 150 150 SER N N 150 117.349 117.349 125.137 -7.788 25554 1720 1 2 . 1 1 150 150 SER C C 150 175.686 175.686 174.576 1.110 25554 1721 1 2 . 1 1 150 150 SER CA C 150 60.435 60.435 56.678 3.757 25554 1722 1 2 . 1 1 150 150 SER CB C 150 62.192 62.192 64.827 -2.635 25554 1723 1 2 . 1 1 150 150 SER H H 150 8.454 8.454 9.107 -0.653 25554 1724 1 2 . 1 1 151 151 ALA N N 151 131.162 131.162 131.248 -0.086 25554 1725 1 2 . 1 1 151 151 ALA C C 151 160.742 160.742 179.127 -18.385 25554 1726 1 2 . 1 1 151 151 ALA CA C 151 53.993 53.993 55.742 -1.749 25554 1727 1 2 . 1 1 151 151 ALA CB C 151 22.369 22.369 18.855 3.514 25554 1728 1 2 . 1 1 151 151 ALA H H 151 10.640 10.640 9.184 1.456 25554 1729 1 2 . 1 1 152 152 LYS N N 152 121.400 121.400 118.653 2.747 25554 1730 1 2 . 1 1 152 152 LYS C C 152 174.221 174.221 178.304 -4.083 25554 1731 1 2 . 1 1 152 152 LYS CA C 152 59.849 59.849 59.904 -0.055 25554 1732 1 2 . 1 1 152 152 LYS CB C 152 34.668 34.668 32.234 2.434 25554 1733 1 2 . 1 1 152 152 LYS H H 152 9.099 9.099 8.832 0.267 25554 1734 1 2 . 1 1 153 153 SER N N 153 115.212 115.212 111.910 3.302 25554 1735 1 2 . 1 1 153 153 SER C C 153 177.152 177.152 174.144 3.008 25554 1736 1 2 . 1 1 153 153 SER CA C 153 62.192 62.192 58.640 3.552 25554 1737 1 2 . 1 1 153 153 SER CB C 153 66.291 66.291 63.627 2.664 25554 1738 1 2 . 1 1 153 153 SER H H 153 8.935 8.935 8.253 0.682 25554 1739 1 2 . 1 1 154 154 ASN N N 154 119.341 119.341 116.388 2.953 25554 1740 1 2 . 1 1 154 154 ASN C C 154 175.979 175.979 174.071 1.908 25554 1741 1 2 . 1 1 154 154 ASN CA C 154 49.894 49.894 54.281 -4.387 25554 1742 1 2 . 1 1 154 154 ASN CB C 154 39.353 39.353 37.142 2.211 25554 1743 1 2 . 1 1 154 154 ASN H H 154 7.488 7.488 7.899 -0.411 25554 1744 1 2 . 1 1 155 155 TYR N N 155 113.498 113.498 122.578 -9.080 25554 1745 1 2 . 1 1 155 155 TYR C C 155 173.928 173.928 175.046 -1.118 25554 1746 1 2 . 1 1 155 155 TYR CA C 155 56.336 56.336 58.676 -2.340 25554 1747 1 2 . 1 1 155 155 TYR CB C 155 37.596 37.596 39.133 -1.537 25554 1748 1 2 . 1 1 155 155 TYR H H 155 6.486 6.486 8.131 -1.645 25554 1749 1 2 . 1 1 156 156 ASN N N 156 122.396 122.396 123.110 -0.714 25554 1750 1 2 . 1 1 156 156 ASN C C 156 175.979 175.979 175.134 0.845 25554 1751 1 2 . 1 1 156 156 ASN CA C 156 51.651 51.651 54.159 -2.508 25554 1752 1 2 . 1 1 156 156 ASN CB C 156 38.767 38.767 36.447 2.321 25554 1753 1 2 . 1 1 156 156 ASN H H 156 8.352 8.352 8.919 -0.567 25554 1754 1 2 . 1 1 157 157 PHE N N 157 123.459 123.459 120.041 3.418 25554 1755 1 2 . 1 1 157 157 PHE C C 157 174.221 174.221 176.369 -2.148 25554 1756 1 2 . 1 1 157 157 PHE CA C 157 57.507 57.507 61.375 -3.868 25554 1757 1 2 . 1 1 157 157 PHE CB C 157 39.353 39.353 39.394 -0.041 25554 1758 1 2 . 1 1 157 157 PHE H H 157 7.429 7.429 7.702 -0.273 25554 1759 1 2 . 1 1 158 158 GLU N N 158 112.568 112.568 117.728 -5.160 25554 1760 1 2 . 1 1 158 158 GLU C C 158 176.566 176.566 178.225 -1.659 25554 1761 1 2 . 1 1 158 158 GLU CA C 158 72.147 72.147 59.039 13.108 25554 1762 1 2 . 1 1 158 158 GLU CB C 158 27.640 27.640 28.587 -0.947 25554 1763 1 2 . 1 1 158 158 GLU H H 158 7.495 7.495 9.008 -1.512 25554 1764 1 2 . 1 1 159 159 LYS N N 159 113.232 113.232 119.989 -6.757 25554 1765 1 2 . 1 1 159 159 LYS C C 159 176.566 176.566 175.913 0.653 25554 1766 1 2 . 1 1 159 159 LYS CA C 159 53.993 53.993 60.511 -6.518 25554 1767 1 2 . 1 1 159 159 LYS CB C 159 33.496 33.496 29.978 3.518 25554 1768 1 2 . 1 1 159 159 LYS H H 159 6.862 6.862 7.223 -0.361 25554 1769 1 2 . 1 1 160 160 PRO C C 160 176.273 176.273 178.447 -2.174 25554 1770 1 2 . 1 1 160 160 PRO CA C 160 64.258 64.258 65.680 -1.422 25554 1771 1 2 . 1 1 160 160 PRO CB C 160 32.318 32.318 31.087 1.231 25554 1772 1 2 . 1 1 161 161 PHE N N 161 120.271 120.271 115.971 4.300 25554 1773 1 2 . 1 1 161 161 PHE C C 161 175.100 175.100 177.588 -2.488 25554 1774 1 2 . 1 1 161 161 PHE CA C 161 56.336 56.336 61.540 -5.204 25554 1775 1 2 . 1 1 161 161 PHE CB C 161 39.353 39.353 37.936 1.417 25554 1776 1 2 . 1 1 161 161 PHE H H 161 8.074 8.074 7.242 0.832 25554 1777 1 2 . 1 1 162 162 LEU N N 162 110.177 110.177 120.492 -10.315 25554 1778 1 2 . 1 1 162 162 LEU C C 162 176.273 176.273 177.993 -1.720 25554 1779 1 2 . 1 1 162 162 LEU CA C 162 55.750 55.750 57.950 -2.200 25554 1780 1 2 . 1 1 162 162 LEU CB C 162 44.037 44.037 41.031 3.006 25554 1781 1 2 . 1 1 162 162 LEU H H 162 7.527 7.527 7.981 -0.454 25554 1782 1 2 . 1 1 163 163 TRP N N 163 123.525 123.525 120.927 2.598 25554 1783 1 2 . 1 1 163 163 TRP C C 163 177.152 177.152 178.082 -0.930 25554 1784 1 2 . 1 1 163 163 TRP CA C 163 61.606 61.606 62.278 -0.672 25554 1785 1 2 . 1 1 163 163 TRP CB C 163 28.811 28.811 29.496 -0.685 25554 1786 1 2 . 1 1 163 163 TRP H H 163 7.476 7.476 7.936 -0.460 25554 1787 1 2 . 1 1 164 164 LEU N N 164 119.740 119.740 118.863 0.877 25554 1788 1 2 . 1 1 164 164 LEU C C 164 175.686 175.686 179.067 -3.381 25554 1789 1 2 . 1 1 164 164 LEU CA C 164 61.020 61.020 57.933 3.087 25554 1790 1 2 . 1 1 164 164 LEU CB C 164 45.794 45.794 41.416 4.378 25554 1791 1 2 . 1 1 164 164 LEU H H 164 9.412 9.412 8.180 1.232 25554 1792 1 2 . 1 1 165 165 ALA N N 165 118.013 118.013 121.535 -3.522 25554 1793 1 2 . 1 1 165 165 ALA C C 165 165.723 165.723 179.313 -13.590 25554 1794 1 2 . 1 1 165 165 ALA CA C 165 52.236 52.236 55.294 -3.058 25554 1795 1 2 . 1 1 165 165 ALA CB C 165 21.784 21.784 18.575 3.209 25554 1796 1 2 . 1 1 165 165 ALA H H 165 7.707 7.707 8.545 -0.838 25554 1797 1 2 . 1 1 166 166 ARG N N 166 122.994 122.994 118.201 4.793 25554 1798 1 2 . 1 1 166 166 ARG C C 166 175.979 175.979 178.991 -3.012 25554 1799 1 2 . 1 1 166 166 ARG CA C 166 49.308 49.308 59.238 -9.930 25554 1800 1 2 . 1 1 166 166 ARG CB C 166 29.397 29.397 30.009 -0.612 25554 1801 1 2 . 1 1 166 166 ARG H H 166 8.692 8.692 8.242 0.450 25554 1802 1 2 . 1 1 167 167 LYS N N 167 112.568 112.568 119.194 -6.626 25554 1803 1 2 . 1 1 167 167 LYS C C 167 176.273 176.273 179.272 -2.999 25554 1804 1 2 . 1 1 167 167 LYS CA C 167 58.092 58.092 58.354 -0.262 25554 1805 1 2 . 1 1 167 167 LYS CB C 167 34.668 34.668 31.562 3.106 25554 1806 1 2 . 1 1 167 167 LYS H H 167 6.819 6.819 7.646 -0.827 25554 1807 1 2 . 1 1 168 168 LEU N N 168 114.959 114.959 119.584 -4.625 25554 1808 1 2 . 1 1 168 168 LEU C C 168 177.738 177.738 179.051 -1.313 25554 1809 1 2 . 1 1 168 168 LEU CA C 168 56.921 56.921 57.390 -0.469 25554 1810 1 2 . 1 1 168 168 LEU CB C 168 41.695 41.695 41.532 0.162 25554 1811 1 2 . 1 1 168 168 LEU H H 168 7.269 7.269 7.881 -0.612 25554 1812 1 2 . 1 1 169 169 ILE N N 169 124.986 124.986 116.917 8.069 25554 1813 1 2 . 1 1 169 169 ILE C C 169 171.877 171.877 177.665 -5.788 25554 1814 1 2 . 1 1 169 169 ILE CA C 169 68.048 68.048 63.280 4.768 25554 1815 1 2 . 1 1 169 169 ILE CB C 169 39.353 39.353 38.766 0.587 25554 1816 1 2 . 1 1 169 169 ILE H H 169 8.915 8.915 7.918 0.997 25554 1817 1 2 . 1 1 170 170 GLY N N 170 113.099 113.099 107.420 5.679 25554 1818 1 2 . 1 1 170 170 GLY C C 170 162.496 162.496 174.005 -11.509 25554 1819 1 2 . 1 1 170 170 GLY CA C 170 44.037 44.037 44.826 -0.789 25554 1820 1 2 . 1 1 170 170 GLY H H 170 6.686 6.686 8.037 -1.351 25554 1821 1 2 . 1 1 171 171 ASP N N 171 113.232 113.232 121.692 -8.460 25554 1822 1 2 . 1 1 171 171 ASP C C 171 178.910 178.910 175.468 3.442 25554 1823 1 2 . 1 1 171 171 ASP CA C 171 50.479 50.479 50.693 -0.214 25554 1824 1 2 . 1 1 171 171 ASP CB C 171 41.109 41.109 42.286 -1.177 25554 1825 1 2 . 1 1 171 171 ASP H H 171 6.815 6.815 7.576 -0.761 25554 1826 1 2 . 1 1 172 172 PRO C C 172 176.566 176.566 177.039 -0.473 25554 1827 1 2 . 1 1 172 172 PRO CA C 172 63.965 63.965 64.360 -0.395 25554 1828 1 2 . 1 1 172 172 PRO CB C 172 31.732 31.732 32.096 -0.364 25554 1829 1 2 . 1 1 173 173 ASN N N 173 109.779 109.779 114.278 -4.499 25554 1830 1 2 . 1 1 173 173 ASN C C 173 175.979 175.979 175.932 0.047 25554 1831 1 2 . 1 1 173 173 ASN CA C 173 54.579 54.579 53.721 0.858 25554 1832 1 2 . 1 1 173 173 ASN CB C 173 36.424 36.424 38.561 -2.137 25554 1833 1 2 . 1 1 173 173 ASN H H 173 8.016 8.016 8.066 -0.050 25554 1834 1 2 . 1 1 174 174 LEU N N 174 109.248 109.248 122.984 -13.736 25554 1835 1 2 . 1 1 174 174 LEU C C 174 176.566 176.566 175.462 1.104 25554 1836 1 2 . 1 1 174 174 LEU CA C 174 56.336 56.336 55.817 0.519 25554 1837 1 2 . 1 1 174 174 LEU CB C 174 44.037 44.037 42.275 1.762 25554 1838 1 2 . 1 1 174 174 LEU H H 174 7.871 7.871 7.566 0.305 25554 1839 1 2 . 1 1 175 175 GLU N N 175 125.185 125.185 126.352 -1.167 25554 1840 1 2 . 1 1 175 175 GLU C C 175 177.445 177.445 175.081 2.364 25554 1841 1 2 . 1 1 175 175 GLU CA C 175 76.247 76.247 54.460 21.787 25554 1842 1 2 . 1 1 175 175 GLU CB C 175 28.811 28.811 34.166 -5.355 25554 1843 1 2 . 1 1 175 175 GLU H H 175 9.127 9.127 8.492 0.635 25554 1844 1 2 . 1 1 176 176 PHE N N 176 136.873 136.873 121.427 15.446 25554 1845 1 2 . 1 1 176 176 PHE C C 176 178.617 178.617 175.801 2.816 25554 1846 1 2 . 1 1 176 176 PHE CA C 176 59.264 59.264 56.505 2.759 25554 1847 1 2 . 1 1 176 176 PHE CB C 176 44.623 44.623 39.355 5.268 25554 1848 1 2 . 1 1 176 176 PHE H H 176 10.058 10.058 8.894 1.164 25554 1849 1 2 . 1 1 177 177 VAL N N 177 118.877 118.877 124.833 -5.956 25554 1850 1 2 . 1 1 177 177 VAL C C 177 177.445 177.445 175.819 1.626 25554 1851 1 2 . 1 1 177 177 VAL CA C 177 62.777 62.777 64.839 -2.062 25554 1852 1 2 . 1 1 177 177 VAL CB C 177 34.668 34.668 32.508 2.160 25554 1853 1 2 . 1 1 177 177 VAL H H 177 7.789 7.789 9.256 -1.467 25554 1854 1 2 . 1 1 178 178 ALA N N 178 128.904 128.904 121.397 7.507 25554 1855 1 2 . 1 1 178 178 ALA CA C 178 57.507 57.507 50.767 6.740 25554 1856 1 2 . 1 1 178 178 ALA CB C 178 19.441 19.441 21.181 -1.740 25554 1857 1 2 . 1 1 178 178 ALA H H 178 7.566 7.566 8.008 -0.442 25554 1858 1 2 . 1 1 179 179 MET N N 179 120.736 120.736 124.307 -3.571 25554 1859 1 2 . 1 1 179 179 MET C C 179 176.859 176.859 174.749 2.110 25554 1860 1 2 . 1 1 179 179 MET CA C 179 56.336 56.336 52.638 3.698 25554 1861 1 2 . 1 1 179 179 MET CB C 179 34.668 34.668 32.628 2.040 25554 1862 1 2 . 1 1 179 179 MET H H 179 7.930 7.930 8.697 -0.767 25554 1863 1 2 . 1 1 180 180 PRO C C 180 177.445 177.445 176.337 1.108 25554 1864 1 2 . 1 1 180 180 PRO CA C 180 64.844 64.844 62.566 2.278 25554 1865 1 2 . 1 1 180 180 PRO CB C 180 29.974 29.974 32.331 -2.357 25554 1866 1 2 . 1 1 181 181 ALA N N 181 128.439 128.439 124.555 3.884 25554 1867 1 2 . 1 1 181 181 ALA C C 181 176.273 176.273 175.891 0.382 25554 1868 1 2 . 1 1 181 181 ALA CA C 181 58.092 58.092 52.469 5.623 25554 1869 1 2 . 1 1 181 181 ALA CB C 181 21.198 21.198 19.308 1.890 25554 1870 1 2 . 1 1 181 181 ALA H H 181 8.673 8.673 8.327 0.346 25554 1871 1 2 . 1 1 182 182 LEU N N 182 122.130 122.130 124.187 -2.057 25554 1872 1 2 . 1 1 182 182 LEU C C 182 177.445 177.445 176.933 0.512 25554 1873 1 2 . 1 1 182 182 LEU CA C 182 55.164 55.164 52.703 2.461 25554 1874 1 2 . 1 1 182 182 LEU CB C 182 42.866 42.866 45.078 -2.212 25554 1875 1 2 . 1 1 182 182 LEU H H 182 8.821 8.821 8.167 0.654 25554 1876 1 2 . 1 1 183 183 ALA N N 183 108.783 108.783 126.131 -17.348 25554 1877 1 2 . 1 1 183 183 ALA C C 183 160.742 160.742 175.603 -14.861 25554 1878 1 2 . 1 1 183 183 ALA CA C 183 51.651 51.651 50.800 0.851 25554 1879 1 2 . 1 1 183 183 ALA CB C 183 18.856 18.856 17.884 0.972 25554 1880 1 2 . 1 1 183 183 ALA H H 183 7.621 7.621 8.354 -0.733 25554 1881 1 2 . 1 1 184 184 PRO C C 184 177.152 177.152 174.806 2.346 25554 1882 1 2 . 1 1 184 184 PRO CA C 184 64.258 64.258 61.817 2.441 25554 1883 1 2 . 1 1 184 184 PRO CB C 184 29.681 29.681 31.448 -1.767 25554 1884 1 2 . 1 1 185 185 PRO C C 185 175.686 175.686 177.051 -1.365 25554 1885 1 2 . 1 1 185 185 PRO CA C 185 63.379 63.379 63.006 0.373 25554 1886 1 2 . 1 1 185 185 PRO CB C 185 35.248 35.248 32.295 2.953 25554 1887 1 2 . 1 1 186 186 GLU N N 186 104.931 104.931 124.267 -19.336 25554 1888 1 2 . 1 1 186 186 GLU C C 186 174.221 174.221 176.487 -2.266 25554 1889 1 2 . 1 1 186 186 GLU CA C 186 57.507 57.507 58.590 -1.083 25554 1890 1 2 . 1 1 186 186 GLU CB C 186 31.739 31.739 30.174 1.565 25554 1891 1 2 . 1 1 186 186 GLU H H 186 8.673 8.673 8.640 0.033 25554 1892 1 2 . 1 1 187 187 VAL N N 187 124.455 124.455 111.286 13.169 25554 1893 1 2 . 1 1 187 187 VAL C C 187 178.910 178.910 174.121 4.789 25554 1894 1 2 . 1 1 187 187 VAL CA C 187 63.363 63.363 59.943 3.420 25554 1895 1 2 . 1 1 187 187 VAL CB C 187 34.082 34.082 35.062 -0.980 25554 1896 1 2 . 1 1 187 187 VAL H H 187 8.622 8.622 7.397 1.225 25554 1897 1 2 . 1 1 188 188 VAL N N 188 128.572 128.572 121.890 6.682 25554 1898 1 2 . 1 1 188 188 VAL C C 188 178.324 178.324 174.854 3.470 25554 1899 1 2 . 1 1 188 188 VAL CA C 188 68.634 68.634 60.832 7.802 25554 1900 1 2 . 1 1 188 188 VAL CB C 188 31.154 31.154 33.445 -2.291 25554 1901 1 2 . 1 1 188 188 VAL H H 188 8.497 8.497 8.190 0.307 25554 1902 1 2 . 1 1 189 189 MET N N 189 122.795 122.795 127.125 -4.330 25554 1903 1 2 . 1 1 189 189 MET C C 189 177.445 177.445 175.326 2.119 25554 1904 1 2 . 1 1 189 189 MET CA C 189 55.164 55.164 55.128 0.036 25554 1905 1 2 . 1 1 189 189 MET CB C 189 35.253 35.253 33.553 1.700 25554 1906 1 2 . 1 1 189 189 MET H H 189 6.991 6.991 8.392 -1.401 25554 1907 1 2 . 1 1 190 190 ASP N N 190 114.959 114.959 127.719 -12.760 25554 1908 1 2 . 1 1 190 190 ASP C C 190 175.686 175.686 175.480 0.206 25554 1909 1 2 . 1 1 190 190 ASP CA C 190 51.065 51.065 52.353 -1.288 25554 1910 1 2 . 1 1 190 190 ASP CB C 190 41.695 41.695 41.164 0.531 25554 1911 1 2 . 1 1 190 190 ASP H H 190 7.210 7.210 8.502 -1.292 25554 1912 1 2 . 1 1 191 191 PRO C C 191 176.566 176.566 178.206 -1.640 25554 1913 1 2 . 1 1 191 191 PRO CA C 191 63.965 63.965 65.691 -1.726 25554 1914 1 2 . 1 1 191 191 PRO CB C 191 31.146 31.146 31.908 -0.762 25554 1915 1 2 . 1 1 192 192 ALA N N 192 109.513 109.513 121.145 -11.632 25554 1916 1 2 . 1 1 192 192 ALA CA C 192 53.993 53.993 54.684 -0.690 25554 1917 1 2 . 1 1 192 192 ALA CB C 192 19.441 19.441 18.188 1.253 25554 1918 1 2 . 1 1 192 192 ALA H H 192 7.394 7.394 8.280 -0.886 25554 1919 1 2 . 1 1 193 193 LEU N N 193 119.009 119.009 120.355 -1.346 25554 1920 1 2 . 1 1 193 193 LEU C C 193 175.979 175.979 178.624 -2.645 25554 1921 1 2 . 1 1 193 193 LEU CA C 193 56.336 56.336 57.438 -1.102 25554 1922 1 2 . 1 1 193 193 LEU CB C 193 42.866 42.866 41.620 1.246 25554 1923 1 2 . 1 1 193 193 LEU H H 193 8.340 8.340 8.054 0.286 25554 1924 1 2 . 1 1 194 194 ALA N N 194 121.666 121.666 121.093 0.573 25554 1925 1 2 . 1 1 194 194 ALA C C 194 166.896 166.896 179.312 -12.416 25554 1926 1 2 . 1 1 194 194 ALA CA C 194 55.164 55.164 54.893 0.271 25554 1927 1 2 . 1 1 194 194 ALA CB C 194 16.513 16.513 18.059 -1.546 25554 1928 1 2 . 1 1 194 194 ALA H H 194 8.176 8.176 8.196 -0.020 25554 1929 1 2 . 1 1 195 195 ALA N N 195 119.541 119.541 121.396 -1.855 25554 1930 1 2 . 1 1 195 195 ALA C C 195 173.928 173.928 179.830 -5.902 25554 1931 1 2 . 1 1 195 195 ALA CA C 195 57.507 57.507 55.187 2.320 25554 1932 1 2 . 1 1 195 195 ALA CB C 195 19.441 19.441 18.442 0.999 25554 1933 1 2 . 1 1 195 195 ALA H H 195 8.364 8.364 8.346 0.018 25554 1934 1 2 . 1 1 196 196 GLN N N 196 107.322 107.322 118.838 -11.516 25554 1935 1 2 . 1 1 196 196 GLN C C 196 176.273 176.273 178.553 -2.280 25554 1936 1 2 . 1 1 196 196 GLN CA C 196 56.921 56.921 59.275 -2.354 25554 1937 1 2 . 1 1 196 196 GLN CB C 196 29.983 29.983 28.862 1.121 25554 1938 1 2 . 1 1 196 196 GLN H H 196 7.910 7.910 8.243 -0.333 25554 1939 1 2 . 1 1 197 197 TYR N N 197 115.623 115.623 121.172 -5.549 25554 1940 1 2 . 1 1 197 197 TYR CA C 197 67.462 67.462 61.853 5.609 25554 1941 1 2 . 1 1 197 197 TYR CB C 197 41.695 41.695 38.869 2.826 25554 1942 1 2 . 1 1 197 197 TYR H H 197 8.196 8.196 8.681 -0.485 25554 1943 1 2 . 1 1 198 198 GLU N N 198 110.244 110.244 118.946 -8.702 25554 1944 1 2 . 1 1 198 198 GLU C C 198 176.273 176.273 179.142 -2.869 25554 1945 1 2 . 1 1 198 198 GLU CA C 198 53.407 53.407 59.645 -6.239 25554 1946 1 2 . 1 1 198 198 GLU CB C 198 30.568 30.568 29.234 1.334 25554 1947 1 2 . 1 1 198 198 GLU H H 198 7.523 7.523 8.579 -1.056 25554 1948 1 2 . 1 1 199 199 HIS N N 199 118.611 118.611 120.343 -1.732 25554 1949 1 2 . 1 1 199 199 HIS C C 199 175.686 175.686 177.263 -1.577 25554 1950 1 2 . 1 1 199 199 HIS CA C 199 56.921 56.921 59.738 -2.817 25554 1951 1 2 . 1 1 199 199 HIS CB C 199 28.226 28.226 29.897 -1.671 25554 1952 1 2 . 1 1 199 199 HIS H H 199 8.512 8.512 8.624 -0.112 25554 1953 1 2 . 1 1 200 200 ASP N N 200 120.736 120.736 120.110 0.626 25554 1954 1 2 . 1 1 200 200 ASP C C 200 176.273 176.273 178.941 -2.668 25554 1955 1 2 . 1 1 200 200 ASP CA C 200 56.921 56.921 57.298 -0.377 25554 1956 1 2 . 1 1 200 200 ASP CB C 200 40.524 40.524 40.211 0.313 25554 1957 1 2 . 1 1 200 200 ASP H H 200 7.519 7.519 8.309 -0.790 25554 1958 1 2 . 1 1 201 201 LEU N N 201 116.353 116.353 120.210 -3.857 25554 1959 1 2 . 1 1 201 201 LEU C C 201 178.910 178.910 179.155 -0.245 25554 1960 1 2 . 1 1 201 201 LEU CA C 201 61.606 61.606 58.271 3.335 25554 1961 1 2 . 1 1 201 201 LEU CB C 201 41.109 41.109 41.821 -0.712 25554 1962 1 2 . 1 1 201 201 LEU H H 201 7.722 7.722 8.176 -0.454 25554 1963 1 2 . 1 1 202 202 GLU N N 202 118.080 118.080 118.297 -0.217 25554 1964 1 2 . 1 1 202 202 GLU C C 202 176.566 176.566 178.178 -1.612 25554 1965 1 2 . 1 1 202 202 GLU CA C 202 56.921 56.921 59.086 -2.165 25554 1966 1 2 . 1 1 202 202 GLU CB C 202 30.568 30.568 29.836 0.732 25554 1967 1 2 . 1 1 202 202 GLU H H 202 8.857 8.857 7.939 0.918 25554 1968 1 2 . 1 1 203 203 VAL N N 203 129.369 129.369 118.420 10.949 25554 1969 1 2 . 1 1 203 203 VAL C C 203 178.617 178.617 177.514 1.103 25554 1970 1 2 . 1 1 203 203 VAL CA C 203 64.534 64.534 65.225 -0.691 25554 1971 1 2 . 1 1 203 203 VAL CB C 203 27.640 27.640 31.833 -4.193 25554 1972 1 2 . 1 1 203 203 VAL H H 203 9.283 9.283 7.913 1.370 25554 1973 1 2 . 1 1 204 204 ALA N N 204 109.580 109.580 121.733 -12.153 25554 1974 1 2 . 1 1 204 204 ALA C C 204 176.859 176.859 178.573 -1.714 25554 1975 1 2 . 1 1 204 204 ALA CA C 204 54.579 54.579 54.342 0.237 25554 1976 1 2 . 1 1 204 204 ALA CB C 204 18.270 18.270 18.904 -0.634 25554 1977 1 2 . 1 1 204 204 ALA H H 204 8.528 8.528 7.949 0.579 25554 1978 1 2 . 1 1 205 205 GLN N N 205 115.756 115.756 117.871 -2.115 25554 1979 1 2 . 1 1 205 205 GLN C C 205 175.979 175.979 174.774 1.205 25554 1980 1 2 . 1 1 205 205 GLN CA C 205 48.137 48.137 55.433 -7.296 25554 1981 1 2 . 1 1 205 205 GLN CB C 205 25.883 25.883 27.448 -1.565 25554 1982 1 2 . 1 1 205 205 GLN H H 205 7.973 7.973 7.582 0.391 25554 1983 1 2 . 1 1 206 206 THR N N 206 120.271 120.271 112.275 7.996 25554 1984 1 2 . 1 1 206 206 THR C C 206 176.273 176.273 174.152 2.121 25554 1985 1 2 . 1 1 206 206 THR CA C 206 67.462 67.462 60.980 6.481 25554 1986 1 2 . 1 1 206 206 THR CB C 206 70.390 70.390 69.825 0.565 25554 1987 1 2 . 1 1 206 206 THR H H 206 7.585 7.585 8.127 -0.542 25554 1988 1 2 . 1 1 207 207 THR N N 207 111.970 111.970 114.653 -2.683 25554 1989 1 2 . 1 1 207 207 THR C C 207 176.566 176.566 174.377 2.189 25554 1990 1 2 . 1 1 207 207 THR CA C 207 64.534 64.534 63.650 0.884 25554 1991 1 2 . 1 1 207 207 THR CB C 207 72.733 72.733 67.611 5.122 25554 1992 1 2 . 1 1 207 207 THR H H 207 7.468 7.468 8.152 -0.684 25554 1993 1 2 . 1 1 208 208 ALA N N 208 115.623 115.623 122.938 -7.315 25554 1994 1 2 . 1 1 208 208 ALA C C 208 168.947 168.947 177.399 -8.452 25554 1995 1 2 . 1 1 208 208 ALA CA C 208 55.164 55.164 51.896 3.268 25554 1996 1 2 . 1 1 208 208 ALA CB C 208 22.369 22.369 20.181 2.188 25554 1997 1 2 . 1 1 208 208 ALA H H 208 7.390 7.390 7.057 0.333 25554 1998 1 2 . 1 1 209 209 LEU N N 209 117.814 117.814 121.150 -3.336 25554 1999 1 2 . 1 1 209 209 LEU C C 209 176.273 176.273 175.043 1.230 25554 2000 1 2 . 1 1 209 209 LEU CA C 209 58.678 58.678 56.945 1.733 25554 2001 1 2 . 1 1 209 209 LEU CB C 209 46.380 46.380 40.064 6.316 25554 2002 1 2 . 1 1 209 209 LEU H H 209 7.652 7.652 8.443 -0.791 25554 2003 1 2 . 1 1 210 210 PRO C C 210 176.566 176.566 175.182 1.384 25554 2004 1 2 . 1 1 210 210 PRO CA C 210 63.086 63.086 63.289 -0.203 25554 2005 1 2 . 1 1 210 210 PRO CB C 210 31.146 31.146 32.228 -1.082 25554 2006 1 2 . 1 1 211 211 ASP N N 211 121.134 121.134 120.298 0.836 25554 2007 1 2 . 1 1 211 211 ASP C C 211 176.273 176.273 175.585 0.688 25554 2008 1 2 . 1 1 211 211 ASP CA C 211 52.236 52.236 51.611 0.625 25554 2009 1 2 . 1 1 211 211 ASP CB C 211 42.281 42.281 44.006 -1.725 25554 2010 1 2 . 1 1 211 211 ASP H H 211 9.510 9.510 8.257 1.253 25554 2011 1 2 . 1 1 212 212 GLU N N 212 131.162 131.162 118.608 12.554 25554 2012 1 2 . 1 1 212 212 GLU C C 212 176.273 176.273 175.821 0.452 25554 2013 1 2 . 1 1 212 212 GLU CA C 212 55.164 55.164 59.216 -4.052 25554 2014 1 2 . 1 1 212 212 GLU CB C 212 30.568 30.568 29.042 1.526 25554 2015 1 2 . 1 1 212 212 GLU H H 212 8.399 8.399 8.914 -0.515 25554 2016 1 2 . 1 1 213 213 ASP N N 213 115.822 115.822 115.737 0.085 25554 2017 1 2 . 1 1 213 213 ASP C C 213 174.807 174.807 177.155 -2.348 25554 2018 1 2 . 1 1 213 213 ASP CA C 213 51.065 51.065 55.238 -4.173 25554 2019 1 2 . 1 1 213 213 ASP CB C 213 41.109 41.109 40.106 1.003 25554 2020 1 2 . 1 1 213 213 ASP H H 213 10.699 10.699 8.247 2.452 25554 2021 1 2 . 1 1 214 214 ASP N N 214 112.369 112.369 119.984 -7.615 25554 2022 1 2 . 1 1 214 214 ASP C C 214 178.910 178.910 177.002 1.908 25554 2023 1 2 . 1 1 214 214 ASP CA C 214 54.579 54.579 56.679 -2.100 25554 2024 1 2 . 1 1 214 214 ASP CB C 214 39.353 39.353 40.406 -1.053 25554 2025 1 2 . 1 1 214 214 ASP H H 214 7.464 7.464 7.932 -0.468 25554 2026 1 2 . 1 1 215 215 ASP N N 215 127.244 127.244 119.583 7.661 25554 2027 1 2 . 1 1 215 215 ASP C C 215 176.859 176.859 177.261 -0.402 25554 2028 1 2 . 1 1 215 215 ASP CA C 215 54.579 54.579 55.871 -1.292 25554 2029 1 2 . 1 1 215 215 ASP CB C 215 40.524 40.524 41.071 -0.547 25554 2030 1 2 . 1 1 215 215 ASP H H 215 8.301 8.301 8.398 -0.097 25554 2031 1 3 . 1 1 2 2 ALA N N 2 131.228 131.228 123.022 8.206 25554 2032 1 3 . 1 1 2 2 ALA C C 2 187.031 187.031 177.513 9.518 25554 2033 1 3 . 1 1 2 2 ALA CA C 2 53.407 53.407 53.095 0.312 25554 2034 1 3 . 1 1 2 2 ALA CB C 2 20.027 20.027 19.048 0.979 25554 2035 1 3 . 1 1 2 2 ALA H H 2 10.644 10.644 8.265 2.379 25554 2036 1 3 . 1 1 3 3 ALA N N 3 124.521 124.521 120.930 3.591 25554 2037 1 3 . 1 1 3 3 ALA C C 3 176.566 176.566 176.807 -0.241 25554 2038 1 3 . 1 1 3 3 ALA CA C 3 49.894 49.894 50.751 -0.857 25554 2039 1 3 . 1 1 3 3 ALA CB C 3 18.270 18.270 20.300 -2.030 25554 2040 1 3 . 1 1 3 3 ALA H H 3 8.669 8.669 7.651 1.018 25554 2041 1 3 . 1 1 4 4 GLN N N 4 118.080 118.080 122.690 -4.610 25554 2042 1 3 . 1 1 4 4 GLN C C 4 176.273 176.273 177.259 -0.986 25554 2043 1 3 . 1 1 4 4 GLN CA C 4 54.579 54.579 56.866 -2.287 25554 2044 1 3 . 1 1 4 4 GLN CB C 4 27.054 27.054 29.221 -2.167 25554 2045 1 3 . 1 1 4 4 GLN H H 4 8.919 8.919 8.611 0.308 25554 2046 1 3 . 1 1 5 5 GLY N N 5 121.002 121.002 109.584 11.418 25554 2047 1 3 . 1 1 5 5 GLY C C 5 181.877 181.877 174.274 7.603 25554 2048 1 3 . 1 1 5 5 GLY CA C 5 45.794 45.794 44.756 1.038 25554 2049 1 3 . 1 1 5 5 GLY H H 5 8.082 8.082 8.664 -0.582 25554 2050 1 3 . 1 1 6 6 GLU N N 6 129.435 129.435 121.625 7.810 25554 2051 1 3 . 1 1 6 6 GLU C C 6 176.566 176.566 174.743 1.823 25554 2052 1 3 . 1 1 6 6 GLU CA C 6 56.336 56.336 54.128 2.208 25554 2053 1 3 . 1 1 6 6 GLU CB C 6 28.811 28.811 30.021 -1.210 25554 2054 1 3 . 1 1 6 6 GLU H H 6 9.267 9.267 8.085 1.182 25554 2055 1 3 . 1 1 7 7 PRO C C 7 176.566 176.566 175.927 0.639 25554 2056 1 3 . 1 1 7 7 PRO CA C 7 63.672 63.672 62.838 0.834 25554 2057 1 3 . 1 1 7 7 PRO CB C 7 31.146 31.146 32.245 -1.099 25554 2058 1 3 . 1 1 8 8 GLN N N 8 112.502 112.502 120.402 -7.900 25554 2059 1 3 . 1 1 8 8 GLN C C 8 177.445 177.445 175.865 1.580 25554 2060 1 3 . 1 1 8 8 GLN CA C 8 50.479 50.479 56.280 -5.801 25554 2061 1 3 . 1 1 8 8 GLN CB C 8 28.811 28.811 29.283 -0.472 25554 2062 1 3 . 1 1 8 8 GLN H H 8 6.220 6.220 8.312 -2.092 25554 2063 1 3 . 1 1 9 9 VAL N N 9 117.416 117.416 127.131 -9.715 25554 2064 1 3 . 1 1 9 9 VAL C C 9 178.324 178.324 174.328 3.996 25554 2065 1 3 . 1 1 9 9 VAL CA C 9 63.363 63.363 62.207 1.156 25554 2066 1 3 . 1 1 9 9 VAL CB C 9 34.668 34.668 32.314 2.354 25554 2067 1 3 . 1 1 9 9 VAL H H 9 6.561 6.561 8.297 -1.736 25554 2068 1 3 . 1 1 10 10 GLN N N 10 113.896 113.896 124.793 -10.897 25554 2069 1 3 . 1 1 10 10 GLN C C 10 176.273 176.273 174.521 1.752 25554 2070 1 3 . 1 1 10 10 GLN CA C 10 55.164 55.164 53.846 1.318 25554 2071 1 3 . 1 1 10 10 GLN CB C 10 28.226 28.226 32.538 -4.312 25554 2072 1 3 . 1 1 10 10 GLN H H 10 7.847 7.847 8.192 -0.345 25554 2073 1 3 . 1 1 11 11 PHE N N 11 118.744 118.744 122.408 -3.664 25554 2074 1 3 . 1 1 11 11 PHE C C 11 176.566 176.566 175.384 1.182 25554 2075 1 3 . 1 1 11 11 PHE CA C 11 59.849 59.849 55.871 3.978 25554 2076 1 3 . 1 1 11 11 PHE CB C 11 41.109 41.109 43.101 -1.992 25554 2077 1 3 . 1 1 11 11 PHE H H 11 8.262 8.262 9.059 -0.797 25554 2078 1 3 . 1 1 12 12 LYS N N 12 124.123 124.123 122.300 1.823 25554 2079 1 3 . 1 1 12 12 LYS C C 12 177.152 177.152 175.158 1.994 25554 2080 1 3 . 1 1 12 12 LYS CA C 12 57.507 57.507 56.289 1.218 25554 2081 1 3 . 1 1 12 12 LYS CB C 12 28.811 28.811 34.071 -5.260 25554 2082 1 3 . 1 1 12 12 LYS H H 12 8.415 8.415 8.762 -0.347 25554 2083 1 3 . 1 1 13 13 LEU N N 13 112.103 112.103 128.166 -16.063 25554 2084 1 3 . 1 1 13 13 LEU C C 13 177.738 177.738 175.024 2.714 25554 2085 1 3 . 1 1 13 13 LEU CA C 13 54.579 54.579 53.450 1.129 25554 2086 1 3 . 1 1 13 13 LEU CB C 13 42.866 42.866 45.524 -2.658 25554 2087 1 3 . 1 1 13 13 LEU H H 13 6.905 6.905 9.089 -2.184 25554 2088 1 3 . 1 1 14 14 VAL N N 14 127.310 127.310 127.744 -0.434 25554 2089 1 3 . 1 1 14 14 VAL C C 14 175.393 175.393 174.517 0.876 25554 2090 1 3 . 1 1 14 14 VAL CA C 14 70.976 70.976 62.252 8.724 25554 2091 1 3 . 1 1 14 14 VAL CB C 14 28.811 28.811 32.435 -3.624 25554 2092 1 3 . 1 1 14 14 VAL H H 14 8.305 8.305 9.057 -0.752 25554 2093 1 3 . 1 1 15 15 LEU N N 15 121.400 121.400 128.975 -7.575 25554 2094 1 3 . 1 1 15 15 LEU C C 15 173.342 173.342 176.282 -2.940 25554 2095 1 3 . 1 1 15 15 LEU CA C 15 56.336 56.336 53.336 3.000 25554 2096 1 3 . 1 1 15 15 LEU CB C 15 41.695 41.695 43.494 -1.799 25554 2097 1 3 . 1 1 15 15 LEU H H 15 7.785 7.785 8.510 -0.725 25554 2098 1 3 . 1 1 16 16 VAL N N 16 121.267 121.267 115.324 5.943 25554 2099 1 3 . 1 1 16 16 VAL C C 16 178.324 178.324 174.587 3.737 25554 2100 1 3 . 1 1 16 16 VAL CA C 16 63.363 63.363 58.593 4.769 25554 2101 1 3 . 1 1 16 16 VAL CB C 16 35.839 35.839 35.489 0.350 25554 2102 1 3 . 1 1 16 16 VAL H H 16 8.935 8.935 8.937 -0.002 25554 2103 1 3 . 1 1 17 17 GLY N N 17 127.908 127.908 108.052 19.856 25554 2104 1 3 . 1 1 17 17 GLY C C 17 174.514 174.514 171.919 2.595 25554 2105 1 3 . 1 1 17 17 GLY CA C 17 42.281 42.281 44.969 -2.688 25554 2106 1 3 . 1 1 17 17 GLY H H 17 9.682 9.682 7.995 1.687 25554 2107 1 3 . 1 1 18 18 ASP N N 18 119.673 119.673 121.174 -1.501 25554 2108 1 3 . 1 1 18 18 ASP C C 18 176.859 176.859 176.853 0.006 25554 2109 1 3 . 1 1 18 18 ASP CA C 18 55.750 55.750 53.235 2.515 25554 2110 1 3 . 1 1 18 18 ASP CB C 18 39.938 39.938 43.202 -3.264 25554 2111 1 3 . 1 1 18 18 ASP H H 18 7.879 7.879 8.008 -0.129 25554 2112 1 3 . 1 1 19 19 GLY N N 19 120.670 120.670 109.220 11.450 25554 2113 1 3 . 1 1 19 19 GLY C C 19 178.324 178.324 174.928 3.396 25554 2114 1 3 . 1 1 19 19 GLY CA C 19 42.281 42.281 45.612 -3.331 25554 2115 1 3 . 1 1 19 19 GLY H H 19 8.825 8.825 8.606 0.219 25554 2116 1 3 . 1 1 20 20 GLY N N 20 129.369 129.369 112.190 17.179 25554 2117 1 3 . 1 1 20 20 GLY C C 20 174.221 174.221 175.406 -1.185 25554 2118 1 3 . 1 1 20 20 GLY CA C 20 41.695 41.695 45.529 -3.834 25554 2119 1 3 . 1 1 20 20 GLY H H 20 8.477 8.477 8.550 -0.073 25554 2120 1 3 . 1 1 21 21 THR N N 21 114.560 114.560 116.162 -1.602 25554 2121 1 3 . 1 1 21 21 THR C C 21 178.617 178.617 174.834 3.783 25554 2122 1 3 . 1 1 21 21 THR CA C 21 62.192 62.192 64.836 -2.644 25554 2123 1 3 . 1 1 21 21 THR CB C 21 70.390 70.390 68.819 1.571 25554 2124 1 3 . 1 1 21 21 THR H H 21 8.196 8.196 7.937 0.259 25554 2125 1 3 . 1 1 22 22 GLY N N 22 112.369 112.369 107.128 5.241 25554 2126 1 3 . 1 1 22 22 GLY C C 22 184.807 184.807 174.835 9.972 25554 2127 1 3 . 1 1 22 22 GLY CA C 22 45.209 45.209 45.097 0.112 25554 2128 1 3 . 1 1 22 22 GLY H H 22 6.772 6.772 8.306 -1.534 25554 2129 1 3 . 1 1 23 23 LYS N N 23 124.056 124.056 120.753 3.303 25554 2130 1 3 . 1 1 23 23 LYS C C 23 176.566 176.566 177.853 -1.287 25554 2131 1 3 . 1 1 23 23 LYS CA C 23 56.921 56.921 59.187 -2.266 25554 2132 1 3 . 1 1 23 23 LYS CB C 23 35.839 35.839 32.229 3.610 25554 2133 1 3 . 1 1 23 23 LYS H H 23 8.180 8.180 8.415 -0.235 25554 2134 1 3 . 1 1 24 24 THR N N 24 114.627 114.627 110.362 4.265 25554 2135 1 3 . 1 1 24 24 THR C C 24 178.324 178.324 176.661 1.663 25554 2136 1 3 . 1 1 24 24 THR CA C 24 62.192 62.192 65.618 -3.426 25554 2137 1 3 . 1 1 24 24 THR CB C 24 71.562 71.562 68.359 3.203 25554 2138 1 3 . 1 1 24 24 THR H H 24 8.469 8.469 8.309 0.160 25554 2139 1 3 . 1 1 25 25 THR N N 25 110.377 110.377 118.760 -8.383 25554 2140 1 3 . 1 1 25 25 THR C C 25 178.324 178.324 175.967 2.357 25554 2141 1 3 . 1 1 25 25 THR CA C 25 64.534 64.534 67.290 -2.756 25554 2142 1 3 . 1 1 25 25 THR CB C 25 71.562 71.562 68.591 2.971 25554 2143 1 3 . 1 1 25 25 THR H H 25 8.415 8.415 7.951 0.464 25554 2144 1 3 . 1 1 26 26 PHE N N 26 114.295 114.295 122.188 -7.893 25554 2145 1 3 . 1 1 26 26 PHE C C 26 174.514 174.514 177.095 -2.581 25554 2146 1 3 . 1 1 26 26 PHE CA C 26 53.407 53.407 61.854 -8.447 25554 2147 1 3 . 1 1 26 26 PHE CB C 26 40.524 40.524 39.268 1.256 25554 2148 1 3 . 1 1 26 26 PHE H H 26 7.707 7.707 8.178 -0.471 25554 2149 1 3 . 1 1 27 27 VAL N N 27 123.525 123.525 117.921 5.604 25554 2150 1 3 . 1 1 27 27 VAL C C 27 178.031 178.031 178.214 -0.183 25554 2151 1 3 . 1 1 27 27 VAL CA C 27 67.462 67.462 66.144 1.318 25554 2152 1 3 . 1 1 27 27 VAL CB C 27 29.397 29.397 31.592 -2.195 25554 2153 1 3 . 1 1 27 27 VAL H H 27 6.987 6.987 8.132 -1.145 25554 2154 1 3 . 1 1 28 28 LYS N N 28 114.228 114.228 119.327 -5.099 25554 2155 1 3 . 1 1 28 28 LYS C C 28 176.566 176.566 178.387 -1.821 25554 2156 1 3 . 1 1 28 28 LYS CA C 28 58.092 58.092 58.788 -0.696 25554 2157 1 3 . 1 1 28 28 LYS CB C 28 34.082 34.082 32.032 2.050 25554 2158 1 3 . 1 1 28 28 LYS H H 28 7.429 7.429 7.922 -0.493 25554 2159 1 3 . 1 1 29 29 ARG N N 29 112.037 112.037 115.968 -3.931 25554 2160 1 3 . 1 1 29 29 ARG C C 29 174.221 174.221 176.225 -2.004 25554 2161 1 3 . 1 1 29 29 ARG CA C 29 72.147 72.147 57.760 14.387 25554 2162 1 3 . 1 1 29 29 ARG CB C 29 37.596 37.596 29.540 8.056 25554 2163 1 3 . 1 1 29 29 ARG H H 29 6.803 6.803 7.675 -0.872 25554 2164 1 3 . 1 1 30 30 HIS N N 30 122.396 122.396 119.491 2.905 25554 2165 1 3 . 1 1 30 30 HIS C C 30 172.170 172.170 176.345 -4.175 25554 2166 1 3 . 1 1 30 30 HIS CA C 30 51.651 51.651 55.416 -3.765 25554 2167 1 3 . 1 1 30 30 HIS CB C 30 30.568 30.568 29.652 0.916 25554 2168 1 3 . 1 1 30 30 HIS H H 30 7.644 7.644 7.148 0.496 25554 2169 1 3 . 1 1 31 31 LEU N N 31 110.377 110.377 127.727 -17.350 25554 2170 1 3 . 1 1 31 31 LEU C C 31 178.031 178.031 178.366 -0.335 25554 2171 1 3 . 1 1 31 31 LEU CA C 31 55.164 55.164 57.602 -2.438 25554 2172 1 3 . 1 1 31 31 LEU CB C 31 42.281 42.281 41.831 0.450 25554 2173 1 3 . 1 1 31 31 LEU H H 31 7.894 7.894 8.271 -0.377 25554 2174 1 3 . 1 1 32 32 THR N N 32 118.213 118.213 113.844 4.369 25554 2175 1 3 . 1 1 32 32 THR C C 32 178.910 178.910 176.570 2.340 25554 2176 1 3 . 1 1 32 32 THR CA C 32 63.949 63.949 66.860 -2.911 25554 2177 1 3 . 1 1 32 32 THR CB C 32 72.733 72.733 68.179 4.554 25554 2178 1 3 . 1 1 32 32 THR H H 32 7.570 7.570 7.430 0.140 25554 2179 1 3 . 1 1 33 33 GLY N N 33 127.841 127.841 109.839 18.002 25554 2180 1 3 . 1 1 33 33 GLY C C 33 161.914 161.914 175.927 -14.013 25554 2181 1 3 . 1 1 33 33 GLY CA C 33 42.866 42.866 47.086 -4.220 25554 2182 1 3 . 1 1 33 33 GLY H H 33 9.662 9.662 7.866 1.796 25554 2183 1 3 . 1 1 34 34 GLU N N 34 122.263 122.263 122.974 -0.711 25554 2184 1 3 . 1 1 34 34 GLU C C 34 176.859 176.859 178.559 -1.700 25554 2185 1 3 . 1 1 34 34 GLU CA C 34 51.651 51.651 58.232 -6.581 25554 2186 1 3 . 1 1 34 34 GLU CB C 34 29.397 29.397 29.207 0.190 25554 2187 1 3 . 1 1 34 34 GLU H H 34 7.140 7.140 7.910 -0.770 25554 2188 1 3 . 1 1 35 35 PHE N N 35 111.838 111.838 116.444 -4.606 25554 2189 1 3 . 1 1 35 35 PHE C C 35 174.221 174.221 177.576 -3.355 25554 2190 1 3 . 1 1 35 35 PHE CA C 35 49.308 49.308 59.790 -10.482 25554 2191 1 3 . 1 1 35 35 PHE CB C 35 41.695 41.695 38.549 3.146 25554 2192 1 3 . 1 1 35 35 PHE H H 35 6.772 6.772 7.605 -0.833 25554 2193 1 3 . 1 1 36 36 GLU N N 36 124.388 124.388 117.238 7.150 25554 2194 1 3 . 1 1 36 36 GLU C C 36 176.859 176.859 176.550 0.309 25554 2195 1 3 . 1 1 36 36 GLU CA C 36 58.092 58.092 57.570 0.522 25554 2196 1 3 . 1 1 36 36 GLU CB C 36 30.568 30.568 30.193 0.375 25554 2197 1 3 . 1 1 36 36 GLU H H 36 7.734 7.734 8.246 -0.512 25554 2198 1 3 . 1 1 37 37 LYS N N 37 118.810 118.810 119.041 -0.231 25554 2199 1 3 . 1 1 37 37 LYS C C 37 172.756 172.756 176.722 -3.966 25554 2200 1 3 . 1 1 37 37 LYS CA C 37 48.137 48.137 56.604 -8.467 25554 2201 1 3 . 1 1 37 37 LYS CB C 37 37.010 37.010 31.595 5.415 25554 2202 1 3 . 1 1 37 37 LYS H H 37 8.509 8.509 7.471 1.038 25554 2203 1 3 . 1 1 38 38 LYS N N 38 108.052 108.052 123.965 -15.913 25554 2204 1 3 . 1 1 38 38 LYS C C 38 176.273 176.273 174.968 1.305 25554 2205 1 3 . 1 1 38 38 LYS CA C 38 59.849 59.849 55.009 4.840 25554 2206 1 3 . 1 1 38 38 LYS CB C 38 34.668 34.668 34.461 0.207 25554 2207 1 3 . 1 1 38 38 LYS H H 38 7.715 7.715 8.507 -0.792 25554 2208 1 3 . 1 1 39 39 TYR N N 39 108.650 108.650 125.695 -17.045 25554 2209 1 3 . 1 1 39 39 TYR C C 39 175.686 175.686 175.176 0.510 25554 2210 1 3 . 1 1 39 39 TYR CA C 39 61.020 61.020 57.309 3.711 25554 2211 1 3 . 1 1 39 39 TYR CB C 39 36.424 36.424 40.213 -3.789 25554 2212 1 3 . 1 1 39 39 TYR H H 39 7.362 7.362 8.644 -1.282 25554 2213 1 3 . 1 1 40 40 VAL N N 40 117.947 117.947 128.615 -10.668 25554 2214 1 3 . 1 1 40 40 VAL C C 40 175.393 175.393 175.164 0.229 25554 2215 1 3 . 1 1 40 40 VAL CA C 40 61.020 61.020 61.096 -0.076 25554 2216 1 3 . 1 1 40 40 VAL CB C 40 31.154 31.154 32.815 -1.661 25554 2217 1 3 . 1 1 40 40 VAL H H 40 8.442 8.442 8.470 -0.028 25554 2218 1 3 . 1 1 42 42 THR N N 42 117.150 117.150 114.331 2.819 25554 2219 1 3 . 1 1 42 42 THR C C 42 178.910 178.910 176.388 2.522 25554 2220 1 3 . 1 1 42 42 THR CA C 42 60.435 60.435 64.651 -4.216 25554 2221 1 3 . 1 1 42 42 THR CB C 42 70.390 70.390 68.760 1.630 25554 2222 1 3 . 1 1 42 42 THR H H 42 8.192 8.192 8.106 0.086 25554 2223 1 3 . 1 1 43 43 LEU N N 43 119.209 119.209 118.872 0.337 25554 2224 1 3 . 1 1 43 43 LEU C C 43 174.807 174.807 177.362 -2.555 25554 2225 1 3 . 1 1 43 43 LEU CA C 43 57.507 57.507 55.936 1.571 25554 2226 1 3 . 1 1 43 43 LEU CB C 43 42.866 42.866 42.128 0.738 25554 2227 1 3 . 1 1 43 43 LEU H H 43 9.260 9.260 7.799 1.461 25554 2228 1 3 . 1 1 44 44 GLY N N 44 114.361 114.361 106.180 8.181 25554 2229 1 3 . 1 1 44 44 GLY C C 44 178.910 178.910 173.305 5.605 25554 2230 1 3 . 1 1 44 44 GLY CA C 44 54.579 54.579 45.238 9.341 25554 2231 1 3 . 1 1 44 44 GLY H H 44 6.979 6.979 8.018 -1.039 25554 2232 1 3 . 1 1 45 45 VAL N N 45 110.244 110.244 118.512 -8.268 25554 2233 1 3 . 1 1 45 45 VAL C C 45 174.807 174.807 174.217 0.590 25554 2234 1 3 . 1 1 45 45 VAL CA C 45 63.363 63.363 60.130 3.233 25554 2235 1 3 . 1 1 45 45 VAL CB C 45 17.099 17.099 35.775 -18.676 25554 2236 1 3 . 1 1 45 45 VAL H H 45 8.309 8.309 7.317 0.992 25554 2237 1 3 . 1 1 46 46 GLU N N 46 130.365 130.365 125.058 5.307 25554 2238 1 3 . 1 1 46 46 GLU C C 46 176.859 176.859 175.245 1.614 25554 2239 1 3 . 1 1 46 46 GLU CA C 46 55.164 55.164 55.337 -0.173 25554 2240 1 3 . 1 1 46 46 GLU CB C 46 32.325 32.325 32.071 0.254 25554 2241 1 3 . 1 1 46 46 GLU H H 46 9.741 9.741 9.109 0.632 25554 2242 1 3 . 1 1 47 47 VAL N N 47 115.623 115.623 125.346 -9.723 25554 2243 1 3 . 1 1 47 47 VAL C C 47 178.324 178.324 174.738 3.586 25554 2244 1 3 . 1 1 47 47 VAL CA C 47 63.363 63.363 60.715 2.647 25554 2245 1 3 . 1 1 47 47 VAL CB C 47 32.911 32.911 32.962 -0.051 25554 2246 1 3 . 1 1 47 47 VAL H H 47 7.339 7.339 8.802 -1.463 25554 2247 1 3 . 1 1 48 48 HIS N N 48 129.236 129.236 126.861 2.375 25554 2248 1 3 . 1 1 48 48 HIS C C 48 169.240 169.240 173.212 -3.972 25554 2249 1 3 . 1 1 48 48 HIS CA C 48 49.894 49.894 53.396 -3.502 25554 2250 1 3 . 1 1 48 48 HIS CB C 48 27.640 27.640 31.139 -3.499 25554 2251 1 3 . 1 1 48 48 HIS H H 48 10.390 10.390 9.134 1.256 25554 2252 1 3 . 1 1 49 49 PRO C C 49 176.273 176.273 175.846 0.427 25554 2253 1 3 . 1 1 49 49 PRO CA C 49 62.500 62.500 63.329 -0.829 25554 2254 1 3 . 1 1 49 49 PRO CB C 49 29.974 29.974 32.177 -2.203 25554 2255 1 3 . 1 1 50 50 LEU N N 50 119.408 119.408 126.178 -6.770 25554 2256 1 3 . 1 1 50 50 LEU C C 50 177.445 177.445 175.328 2.117 25554 2257 1 3 . 1 1 50 50 LEU CA C 50 59.264 59.264 53.712 5.552 25554 2258 1 3 . 1 1 50 50 LEU CB C 50 42.281 42.281 43.796 -1.515 25554 2259 1 3 . 1 1 50 50 LEU H H 50 7.492 7.492 9.087 -1.595 25554 2260 1 3 . 1 1 51 51 VAL N N 51 117.947 117.947 122.014 -4.067 25554 2261 1 3 . 1 1 51 51 VAL C C 51 174.514 174.514 174.247 0.267 25554 2262 1 3 . 1 1 51 51 VAL CA C 51 64.534 64.534 61.015 3.519 25554 2263 1 3 . 1 1 51 51 VAL CB C 51 37.010 37.010 33.585 3.425 25554 2264 1 3 . 1 1 51 51 VAL H H 51 7.715 7.715 8.055 -0.340 25554 2265 1 3 . 1 1 52 52 PHE N N 52 124.853 124.853 124.655 0.198 25554 2266 1 3 . 1 1 52 52 PHE C C 52 175.100 175.100 173.956 1.144 25554 2267 1 3 . 1 1 52 52 PHE CA C 52 56.336 56.336 56.248 0.088 25554 2268 1 3 . 1 1 52 52 PHE CB C 52 39.938 39.938 41.982 -2.044 25554 2269 1 3 . 1 1 52 52 PHE H H 52 8.935 8.935 8.839 0.096 25554 2270 1 3 . 1 1 53 53 HIS N N 53 120.603 120.603 121.692 -1.089 25554 2271 1 3 . 1 1 53 53 HIS C C 53 170.119 170.119 174.938 -4.819 25554 2272 1 3 . 1 1 53 53 HIS CA C 53 55.164 55.164 55.340 -0.176 25554 2273 1 3 . 1 1 53 53 HIS CB C 53 30.568 30.568 31.328 -0.760 25554 2274 1 3 . 1 1 53 53 HIS H H 53 8.356 8.356 8.255 0.101 25554 2275 1 3 . 1 1 54 54 THR N N 54 112.634 112.634 116.412 -3.778 25554 2276 1 3 . 1 1 54 54 THR C C 54 178.910 178.910 175.756 3.154 25554 2277 1 3 . 1 1 54 54 THR CA C 54 63.363 63.363 59.510 3.853 25554 2278 1 3 . 1 1 54 54 THR CB C 54 72.733 72.733 71.957 0.776 25554 2279 1 3 . 1 1 54 54 THR H H 54 7.574 7.574 9.112 -1.538 25554 2280 1 3 . 1 1 55 55 ASN N N 55 131.095 131.095 120.390 10.705 25554 2281 1 3 . 1 1 55 55 ASN C C 55 176.273 176.273 176.256 0.017 25554 2282 1 3 . 1 1 55 55 ASN CA C 55 51.065 51.065 55.992 -4.927 25554 2283 1 3 . 1 1 55 55 ASN CB C 55 37.010 37.010 38.604 -1.594 25554 2284 1 3 . 1 1 55 55 ASN H H 55 10.187 10.187 8.891 1.296 25554 2285 1 3 . 1 1 56 56 ARG N N 56 122.064 122.064 121.078 0.986 25554 2286 1 3 . 1 1 56 56 ARG C C 56 175.100 175.100 175.392 -0.292 25554 2287 1 3 . 1 1 56 56 ARG CA C 56 61.606 61.606 55.546 6.060 25554 2288 1 3 . 1 1 56 56 ARG CB C 56 32.911 32.911 28.844 4.067 25554 2289 1 3 . 1 1 56 56 ARG H H 56 7.433 7.433 8.000 -0.567 25554 2290 1 3 . 1 1 57 57 GLY N N 57 127.709 127.709 108.853 18.856 25554 2291 1 3 . 1 1 57 57 GLY C C 57 175.979 175.979 171.605 4.374 25554 2292 1 3 . 1 1 57 57 GLY CA C 57 42.281 42.281 44.394 -2.113 25554 2293 1 3 . 1 1 57 57 GLY H H 57 9.373 9.373 8.226 1.147 25554 2294 1 3 . 1 1 58 58 PRO C C 58 177.152 177.152 175.667 1.485 25554 2295 1 3 . 1 1 58 58 PRO CA C 58 65.137 65.137 62.831 2.306 25554 2296 1 3 . 1 1 58 58 PRO CB C 58 29.095 29.095 32.875 -3.780 25554 2297 1 3 . 1 1 59 59 ILE N N 59 128.638 128.638 122.127 6.511 25554 2298 1 3 . 1 1 59 59 ILE C C 59 175.979 175.979 174.246 1.733 25554 2299 1 3 . 1 1 59 59 ILE CA C 59 65.120 65.120 60.319 4.801 25554 2300 1 3 . 1 1 59 59 ILE CB C 59 40.524 40.524 42.303 -1.779 25554 2301 1 3 . 1 1 59 59 ILE H H 59 8.794 8.794 8.793 0.001 25554 2302 1 3 . 1 1 60 60 LYS N N 60 115.756 115.756 126.984 -11.228 25554 2303 1 3 . 1 1 60 60 LYS C C 60 175.979 175.979 174.899 1.080 25554 2304 1 3 . 1 1 60 60 LYS CA C 60 56.921 56.921 54.066 2.855 25554 2305 1 3 . 1 1 60 60 LYS CB C 60 32.325 32.325 35.935 -3.610 25554 2306 1 3 . 1 1 60 60 LYS H H 60 7.253 7.253 8.914 -1.661 25554 2307 1 3 . 1 1 61 61 PHE N N 61 120.670 120.670 125.983 -5.313 25554 2308 1 3 . 1 1 61 61 PHE C C 61 175.393 175.393 175.425 -0.032 25554 2309 1 3 . 1 1 61 61 PHE CA C 61 57.507 57.507 56.328 1.179 25554 2310 1 3 . 1 1 61 61 PHE CB C 61 41.109 41.109 41.143 -0.034 25554 2311 1 3 . 1 1 61 61 PHE H H 61 7.515 7.515 9.276 -1.761 25554 2312 1 3 . 1 1 62 62 ASN N N 62 119.076 119.076 124.163 -5.087 25554 2313 1 3 . 1 1 62 62 ASN C C 62 175.100 175.100 174.521 0.579 25554 2314 1 3 . 1 1 62 62 ASN CA C 62 53.407 53.407 52.811 0.596 25554 2315 1 3 . 1 1 62 62 ASN CB C 62 38.767 38.767 38.897 -0.130 25554 2316 1 3 . 1 1 62 62 ASN H H 62 7.558 7.558 9.129 -1.571 25554 2317 1 3 . 1 1 63 63 VAL N N 63 106.127 106.127 124.176 -18.049 25554 2318 1 3 . 1 1 63 63 VAL C C 63 175.100 175.100 175.363 -0.263 25554 2319 1 3 . 1 1 63 63 VAL CA C 63 61.020 61.020 62.700 -1.680 25554 2320 1 3 . 1 1 63 63 VAL CB C 63 31.154 31.154 32.519 -1.365 25554 2321 1 3 . 1 1 63 63 VAL H H 63 8.113 8.113 8.741 -0.628 25554 2322 1 3 . 1 1 64 64 TRP N N 64 129.302 129.302 130.263 -0.961 25554 2323 1 3 . 1 1 64 64 TRP C C 64 177.152 177.152 174.841 2.311 25554 2324 1 3 . 1 1 64 64 TRP CA C 64 59.264 59.264 56.549 2.715 25554 2325 1 3 . 1 1 64 64 TRP CB C 64 29.397 29.397 29.547 -0.151 25554 2326 1 3 . 1 1 64 64 TRP H H 64 8.970 8.970 9.542 -0.572 25554 2327 1 3 . 1 1 65 65 ASP N N 65 119.607 119.607 123.109 -3.502 25554 2328 1 3 . 1 1 65 65 ASP C C 65 174.514 174.514 175.892 -1.378 25554 2329 1 3 . 1 1 65 65 ASP CA C 65 55.164 55.164 52.191 2.973 25554 2330 1 3 . 1 1 65 65 ASP CB C 65 41.109 41.109 45.021 -3.912 25554 2331 1 3 . 1 1 65 65 ASP H H 65 8.638 8.638 9.238 -0.600 25554 2332 1 3 . 1 1 66 66 THR N N 66 122.463 122.463 114.329 8.134 25554 2333 1 3 . 1 1 66 66 THR C C 66 178.617 178.617 174.825 3.792 25554 2334 1 3 . 1 1 66 66 THR CA C 66 68.048 68.048 61.939 6.109 25554 2335 1 3 . 1 1 66 66 THR CB C 66 71.562 71.562 69.454 2.108 25554 2336 1 3 . 1 1 66 66 THR H H 66 8.293 8.293 8.613 -0.320 25554 2337 1 3 . 1 1 67 67 ALA N N 67 104.865 104.865 127.535 -22.670 25554 2338 1 3 . 1 1 67 67 ALA C C 67 177.738 177.738 177.355 0.383 25554 2339 1 3 . 1 1 67 67 ALA CA C 67 48.722 48.722 51.148 -2.426 25554 2340 1 3 . 1 1 67 67 ALA CB C 67 14.171 14.171 17.293 -3.122 25554 2341 1 3 . 1 1 67 67 ALA H H 67 8.657 8.657 8.698 -0.041 25554 2342 1 3 . 1 1 68 68 GLY N N 68 115.357 115.357 110.494 4.863 25554 2343 1 3 . 1 1 68 68 GLY C C 68 189.533 189.533 175.897 13.636 25554 2344 1 3 . 1 1 68 68 GLY CA C 68 45.209 45.209 46.047 -0.838 25554 2345 1 3 . 1 1 68 68 GLY H H 68 10.969 10.969 7.990 2.979 25554 2346 1 3 . 1 1 69 69 GLN N N 69 110.111 110.111 119.199 -9.088 25554 2347 1 3 . 1 1 69 69 GLN C C 69 176.859 176.859 177.471 -0.612 25554 2348 1 3 . 1 1 69 69 GLN CA C 69 55.750 55.750 59.260 -3.510 25554 2349 1 3 . 1 1 69 69 GLN CB C 69 27.640 27.640 28.421 -0.781 25554 2350 1 3 . 1 1 69 69 GLN H H 69 8.344 8.344 8.509 -0.165 25554 2351 1 3 . 1 1 70 70 GLU N N 70 114.826 114.826 117.809 -2.983 25554 2352 1 3 . 1 1 70 70 GLU C C 70 176.273 176.273 177.453 -1.180 25554 2353 1 3 . 1 1 70 70 GLU CA C 70 57.507 57.507 59.044 -1.537 25554 2354 1 3 . 1 1 70 70 GLU CB C 70 28.811 28.811 29.373 -0.562 25554 2355 1 3 . 1 1 70 70 GLU H H 70 9.651 9.651 8.569 1.082 25554 2356 1 3 . 1 1 71 71 LYS N N 71 116.685 116.685 117.200 -0.515 25554 2357 1 3 . 1 1 71 71 LYS C C 71 175.979 175.979 178.514 -2.535 25554 2358 1 3 . 1 1 71 71 LYS CA C 71 48.722 48.722 58.578 -9.856 25554 2359 1 3 . 1 1 71 71 LYS CB C 71 37.010 37.010 32.560 4.450 25554 2360 1 3 . 1 1 71 71 LYS H H 71 8.712 8.712 7.604 1.108 25554 2361 1 3 . 1 1 72 72 PHE N N 72 114.959 114.959 118.738 -3.779 25554 2362 1 3 . 1 1 72 72 PHE C C 72 175.686 175.686 175.859 -0.173 25554 2363 1 3 . 1 1 72 72 PHE CA C 72 56.336 56.336 59.541 -3.205 25554 2364 1 3 . 1 1 72 72 PHE CB C 72 36.424 36.424 40.383 -3.959 25554 2365 1 3 . 1 1 72 72 PHE H H 72 7.965 7.965 7.691 0.274 25554 2366 1 3 . 1 1 73 73 GLY N N 73 117.084 117.084 104.492 12.592 25554 2367 1 3 . 1 1 73 73 GLY C C 73 168.068 168.068 172.243 -4.175 25554 2368 1 3 . 1 1 73 73 GLY CA C 73 42.281 42.281 44.647 -2.366 25554 2369 1 3 . 1 1 73 73 GLY H H 73 7.609 7.609 8.207 -0.598 25554 2370 1 3 . 1 1 74 74 GLY N N 74 120.537 120.537 105.843 14.694 25554 2371 1 3 . 1 1 74 74 GLY C C 74 174.514 174.514 174.443 0.071 25554 2372 1 3 . 1 1 74 74 GLY CA C 74 44.037 44.037 44.344 -0.307 25554 2373 1 3 . 1 1 74 74 GLY H H 74 9.326 9.326 8.310 1.016 25554 2374 1 3 . 1 1 75 75 LEU N N 75 127.177 127.177 121.771 5.406 25554 2375 1 3 . 1 1 75 75 LEU C C 75 178.617 178.617 177.141 1.476 25554 2376 1 3 . 1 1 75 75 LEU CA C 75 53.407 53.407 54.056 -0.649 25554 2377 1 3 . 1 1 75 75 LEU CB C 75 42.281 42.281 43.348 -1.067 25554 2378 1 3 . 1 1 75 75 LEU H H 75 7.628 7.628 8.648 -1.020 25554 2379 1 3 . 1 1 76 76 ARG N N 76 116.486 116.486 121.856 -5.370 25554 2380 1 3 . 1 1 76 76 ARG C C 76 176.859 176.859 177.081 -0.222 25554 2381 1 3 . 1 1 76 76 ARG CA C 76 59.264 59.264 56.314 2.950 25554 2382 1 3 . 1 1 76 76 ARG CB C 76 31.154 31.154 31.226 -0.072 25554 2383 1 3 . 1 1 76 76 ARG H H 76 7.143 7.143 8.520 -1.377 25554 2384 1 3 . 1 1 77 77 ASP N N 77 129.236 129.236 122.218 7.018 25554 2385 1 3 . 1 1 77 77 ASP C C 77 177.152 177.152 178.480 -1.328 25554 2386 1 3 . 1 1 77 77 ASP CA C 77 52.822 52.822 57.700 -4.878 25554 2387 1 3 . 1 1 77 77 ASP CB C 77 41.695 41.695 40.465 1.230 25554 2388 1 3 . 1 1 77 77 ASP H H 77 8.947 8.947 8.906 0.041 25554 2389 1 3 . 1 1 78 78 GLY N N 78 127.244 127.244 107.964 19.280 25554 2390 1 3 . 1 1 78 78 GLY C C 78 173.928 173.928 175.132 -1.204 25554 2391 1 3 . 1 1 78 78 GLY CA C 78 44.623 44.623 46.896 -2.273 25554 2392 1 3 . 1 1 78 78 GLY H H 78 8.219 8.219 8.436 -0.217 25554 2393 1 3 . 1 1 79 79 TYR N N 79 120.537 120.537 120.159 0.378 25554 2394 1 3 . 1 1 79 79 TYR C C 79 176.273 176.273 175.855 0.418 25554 2395 1 3 . 1 1 79 79 TYR CA C 79 58.678 58.678 60.707 -2.029 25554 2396 1 3 . 1 1 79 79 TYR CB C 79 40.524 40.524 38.319 2.204 25554 2397 1 3 . 1 1 79 79 TYR H H 79 8.563 8.563 7.859 0.704 25554 2398 1 3 . 1 1 80 80 TYR N N 80 115.822 115.822 114.784 1.038 25554 2399 1 3 . 1 1 80 80 TYR C C 80 175.979 175.979 176.866 -0.887 25554 2400 1 3 . 1 1 80 80 TYR CA C 80 58.092 58.092 61.060 -2.968 25554 2401 1 3 . 1 1 80 80 TYR CB C 80 38.181 38.181 38.779 -0.598 25554 2402 1 3 . 1 1 80 80 TYR H H 80 7.194 7.194 7.462 -0.268 25554 2403 1 3 . 1 1 81 81 ILE N N 81 120.072 120.072 118.755 1.317 25554 2404 1 3 . 1 1 81 81 ILE C C 81 177.445 177.445 176.068 1.377 25554 2405 1 3 . 1 1 81 81 ILE CA C 81 67.462 67.462 63.212 4.250 25554 2406 1 3 . 1 1 81 81 ILE CB C 81 41.109 41.109 37.926 3.183 25554 2407 1 3 . 1 1 81 81 ILE H H 81 8.837 8.837 8.029 0.808 25554 2408 1 3 . 1 1 82 82 GLN N N 82 109.580 109.580 118.521 -8.941 25554 2409 1 3 . 1 1 82 82 GLN C C 82 177.152 177.152 174.477 2.675 25554 2410 1 3 . 1 1 82 82 GLN CA C 82 56.336 56.336 56.478 -0.142 25554 2411 1 3 . 1 1 82 82 GLN CB C 82 24.126 24.126 26.178 -2.052 25554 2412 1 3 . 1 1 82 82 GLN H H 82 8.493 8.493 8.731 -0.238 25554 2413 1 3 . 1 1 83 83 ALA N N 83 109.713 109.713 120.850 -11.137 25554 2414 1 3 . 1 1 83 83 ALA C C 83 175.979 175.979 176.519 -0.540 25554 2415 1 3 . 1 1 83 83 ALA CA C 83 54.579 54.579 51.263 3.316 25554 2416 1 3 . 1 1 83 83 ALA CB C 83 16.513 16.513 19.301 -2.788 25554 2417 1 3 . 1 1 83 83 ALA H H 83 6.306 6.306 7.516 -1.210 25554 2418 1 3 . 1 1 84 84 GLN N N 84 131.380 131.380 123.626 7.754 25554 2419 1 3 . 1 1 84 84 GLN C C 84 175.686 175.686 176.016 -0.330 25554 2420 1 3 . 1 1 84 84 GLN CA C 84 51.065 51.065 58.574 -7.508 25554 2421 1 3 . 1 1 84 84 GLN CB C 84 32.325 32.325 29.938 2.387 25554 2422 1 3 . 1 1 84 84 GLN H H 84 11.169 11.169 8.786 2.383 25554 2423 1 3 . 1 1 85 85 CYS N N 85 124.322 124.322 110.989 13.333 25554 2424 1 3 . 1 1 85 85 CYS C C 85 173.049 173.049 172.693 0.356 25554 2425 1 3 . 1 1 85 85 CYS CA C 85 57.507 57.507 55.898 1.609 25554 2426 1 3 . 1 1 85 85 CYS CB C 85 35.253 35.253 31.843 3.410 25554 2427 1 3 . 1 1 85 85 CYS H H 85 8.602 8.602 8.174 0.428 25554 2428 1 3 . 1 1 86 86 ALA N N 86 114.295 114.295 122.059 -7.764 25554 2429 1 3 . 1 1 86 86 ALA CA C 86 57.507 57.507 50.513 6.994 25554 2430 1 3 . 1 1 86 86 ALA CB C 86 21.784 21.784 22.745 -0.961 25554 2431 1 3 . 1 1 86 86 ALA H H 86 6.897 6.897 9.003 -2.106 25554 2432 1 3 . 1 1 87 87 ILE N N 87 120.670 120.670 120.890 -0.220 25554 2433 1 3 . 1 1 87 87 ILE C C 87 173.928 173.928 174.712 -0.784 25554 2434 1 3 . 1 1 87 87 ILE CA C 87 61.020 61.020 59.816 1.204 25554 2435 1 3 . 1 1 87 87 ILE CB C 87 39.938 39.938 41.319 -1.381 25554 2436 1 3 . 1 1 87 87 ILE H H 87 8.282 8.282 8.685 -0.403 25554 2437 1 3 . 1 1 88 88 ILE N N 88 120.205 120.205 127.618 -7.413 25554 2438 1 3 . 1 1 88 88 ILE C C 88 173.635 173.635 174.929 -1.294 25554 2439 1 3 . 1 1 88 88 ILE CA C 88 64.534 64.534 60.095 4.439 25554 2440 1 3 . 1 1 88 88 ILE CB C 88 37.596 37.596 40.140 -2.544 25554 2441 1 3 . 1 1 88 88 ILE H H 88 5.528 5.528 9.182 -3.654 25554 2442 1 3 . 1 1 89 89 MET N N 89 119.209 119.209 126.090 -6.881 25554 2443 1 3 . 1 1 89 89 MET C C 89 176.566 176.566 175.455 1.111 25554 2444 1 3 . 1 1 89 89 MET CA C 89 56.921 56.921 54.033 2.888 25554 2445 1 3 . 1 1 89 89 MET CB C 89 34.668 34.668 34.927 -0.259 25554 2446 1 3 . 1 1 89 89 MET H H 89 8.164 8.164 9.078 -0.914 25554 2447 1 3 . 1 1 90 90 PHE N N 90 121.134 121.134 119.623 1.511 25554 2448 1 3 . 1 1 90 90 PHE C C 90 175.393 175.393 173.165 2.228 25554 2449 1 3 . 1 1 90 90 PHE CA C 90 60.435 60.435 55.026 5.409 25554 2450 1 3 . 1 1 90 90 PHE CB C 90 38.767 38.767 42.055 -3.288 25554 2451 1 3 . 1 1 90 90 PHE H H 90 9.334 9.334 8.830 0.504 25554 2452 1 3 . 1 1 91 91 ASP N N 91 125.185 125.185 120.354 4.831 25554 2453 1 3 . 1 1 91 91 ASP C C 91 176.566 176.566 176.782 -0.216 25554 2454 1 3 . 1 1 91 91 ASP CA C 91 52.822 52.822 51.888 0.934 25554 2455 1 3 . 1 1 91 91 ASP CB C 91 39.938 39.938 42.801 -2.863 25554 2456 1 3 . 1 1 91 91 ASP H H 91 9.056 9.056 8.457 0.599 25554 2457 1 3 . 1 1 92 92 VAL N N 92 115.158 115.158 124.873 -9.715 25554 2458 1 3 . 1 1 92 92 VAL C C 92 173.342 173.342 177.819 -4.477 25554 2459 1 3 . 1 1 92 92 VAL CA C 92 64.534 64.534 66.104 -1.570 25554 2460 1 3 . 1 1 92 92 VAL CB C 92 37.596 37.596 32.022 5.574 25554 2461 1 3 . 1 1 92 92 VAL H H 92 7.738 7.738 8.617 -0.879 25554 2462 1 3 . 1 1 93 93 THR N N 93 112.302 112.302 109.626 2.676 25554 2463 1 3 . 1 1 93 93 THR C C 93 177.152 177.152 175.010 2.142 25554 2464 1 3 . 1 1 93 93 THR CA C 93 64.534 64.534 64.563 -0.029 25554 2465 1 3 . 1 1 93 93 THR CB C 93 72.147 72.147 69.009 3.138 25554 2466 1 3 . 1 1 93 93 THR H H 93 7.269 7.269 7.956 -0.687 25554 2467 1 3 . 1 1 94 94 SER N N 94 122.263 122.263 115.552 6.711 25554 2468 1 3 . 1 1 94 94 SER C C 94 163.965 163.965 175.393 -11.428 25554 2469 1 3 . 1 1 94 94 SER CA C 94 59.849 59.849 55.767 4.082 25554 2470 1 3 . 1 1 94 94 SER CB C 94 62.192 62.192 63.900 -1.708 25554 2471 1 3 . 1 1 94 94 SER H H 94 7.628 7.628 7.455 0.173 25554 2472 1 3 . 1 1 95 95 ARG N N 95 113.099 113.099 128.740 -15.641 25554 2473 1 3 . 1 1 95 95 ARG C C 95 176.273 176.273 177.893 -1.620 25554 2474 1 3 . 1 1 95 95 ARG CA C 95 53.407 53.407 59.334 -5.927 25554 2475 1 3 . 1 1 95 95 ARG CB C 95 31.154 31.154 30.142 1.012 25554 2476 1 3 . 1 1 95 95 ARG H H 95 8.102 8.102 9.117 -1.015 25554 2477 1 3 . 1 1 96 96 VAL N N 96 124.787 124.787 118.860 5.927 25554 2478 1 3 . 1 1 96 96 VAL C C 96 178.031 178.031 177.332 0.699 25554 2479 1 3 . 1 1 96 96 VAL CA C 96 68.634 68.634 66.148 2.486 25554 2480 1 3 . 1 1 96 96 VAL CB C 96 24.126 24.126 31.579 -7.453 25554 2481 1 3 . 1 1 96 96 VAL H H 96 9.146 9.146 7.927 1.219 25554 2482 1 3 . 1 1 97 97 THR N N 97 111.970 111.970 113.721 -1.751 25554 2483 1 3 . 1 1 97 97 THR C C 97 178.031 178.031 176.197 1.834 25554 2484 1 3 . 1 1 97 97 THR CA C 97 63.949 63.949 65.724 -1.775 25554 2485 1 3 . 1 1 97 97 THR CB C 97 70.390 70.390 69.010 1.380 25554 2486 1 3 . 1 1 97 97 THR H H 97 7.984 7.984 7.695 0.289 25554 2487 1 3 . 1 1 98 98 TYR N N 98 113.232 113.232 122.305 -9.073 25554 2488 1 3 . 1 1 98 98 TYR C C 98 176.273 176.273 177.449 -1.176 25554 2489 1 3 . 1 1 98 98 TYR H H 98 7.605 7.605 7.596 0.009 25554 2490 1 3 . 1 1 99 99 LYS N N 99 121.998 121.998 117.735 4.263 25554 2491 1 3 . 1 1 99 99 LYS C C 99 174.221 174.221 178.522 -4.301 25554 2492 1 3 . 1 1 99 99 LYS CA C 99 59.264 59.264 59.324 -0.060 25554 2493 1 3 . 1 1 99 99 LYS CB C 99 34.668 34.668 32.540 2.128 25554 2494 1 3 . 1 1 99 99 LYS H H 99 8.129 8.129 7.816 0.313 25554 2495 1 3 . 1 1 100 100 ASN N N 100 111.970 111.970 117.486 -5.516 25554 2496 1 3 . 1 1 100 100 ASN C C 100 175.979 175.979 177.246 -1.267 25554 2497 1 3 . 1 1 100 100 ASN CA C 100 53.407 53.407 54.523 -1.116 25554 2498 1 3 . 1 1 100 100 ASN CB C 100 37.596 37.596 38.337 -0.741 25554 2499 1 3 . 1 1 100 100 ASN H H 100 5.778 5.778 7.838 -2.060 25554 2500 1 3 . 1 1 101 101 VAL N N 101 118.877 118.877 122.236 -3.359 25554 2501 1 3 . 1 1 101 101 VAL C C 101 173.635 173.635 174.632 -0.997 25554 2502 1 3 . 1 1 101 101 VAL CA C 101 62.777 62.777 68.995 -6.218 25554 2503 1 3 . 1 1 101 101 VAL CB C 101 27.054 27.054 29.286 -2.232 25554 2504 1 3 . 1 1 101 101 VAL H H 101 7.370 7.370 7.718 -0.348 25554 2505 1 3 . 1 1 102 102 PRO C C 102 176.566 176.566 178.663 -2.097 25554 2506 1 3 . 1 1 102 102 PRO CA C 102 62.500 62.500 66.554 -4.054 25554 2507 1 3 . 1 1 102 102 PRO CB C 102 30.853 30.853 31.254 -0.401 25554 2508 1 3 . 1 1 103 103 ASN N N 103 122.728 122.728 116.727 6.001 25554 2509 1 3 . 1 1 103 103 ASN C C 103 175.100 175.100 177.420 -2.320 25554 2510 1 3 . 1 1 103 103 ASN CA C 103 54.579 54.579 55.737 -1.158 25554 2511 1 3 . 1 1 103 103 ASN CB C 103 38.767 38.767 37.558 1.209 25554 2512 1 3 . 1 1 103 103 ASN H H 103 7.879 7.879 8.038 -0.159 25554 2513 1 3 . 1 1 104 104 TRP N N 104 132.158 132.158 121.108 11.050 25554 2514 1 3 . 1 1 104 104 TRP C C 104 176.273 176.273 178.877 -2.604 25554 2515 1 3 . 1 1 104 104 TRP CA C 104 60.435 60.435 61.182 -0.747 25554 2516 1 3 . 1 1 104 104 TRP CB C 104 29.983 29.983 29.249 0.734 25554 2517 1 3 . 1 1 104 104 TRP H H 104 9.541 9.541 7.905 1.636 25554 2518 1 3 . 1 1 105 105 HIS N N 105 120.869 120.869 119.008 1.861 25554 2519 1 3 . 1 1 105 105 HIS C C 105 177.738 177.738 177.443 0.295 25554 2520 1 3 . 1 1 105 105 HIS H H 105 6.971 6.971 8.709 -1.738 25554 2521 1 3 . 1 1 106 106 ARG N N 106 126.314 126.314 119.112 7.202 25554 2522 1 3 . 1 1 106 106 ARG C C 106 176.566 176.566 178.388 -1.822 25554 2523 1 3 . 1 1 106 106 ARG CA C 106 62.777 62.777 59.804 2.973 25554 2524 1 3 . 1 1 106 106 ARG CB C 106 29.397 29.397 30.030 -0.633 25554 2525 1 3 . 1 1 106 106 ARG H H 106 7.507 7.507 8.406 -0.899 25554 2526 1 3 . 1 1 107 107 ASP N N 107 119.076 119.076 120.099 -1.023 25554 2527 1 3 . 1 1 107 107 ASP C C 107 176.566 176.566 178.571 -2.005 25554 2528 1 3 . 1 1 107 107 ASP CA C 107 55.164 55.164 57.140 -1.976 25554 2529 1 3 . 1 1 107 107 ASP CB C 107 41.695 41.695 40.252 1.443 25554 2530 1 3 . 1 1 107 107 ASP H H 107 9.076 9.076 8.030 1.046 25554 2531 1 3 . 1 1 108 108 LEU N N 108 113.299 113.299 121.310 -8.011 25554 2532 1 3 . 1 1 108 108 LEU C C 108 176.273 176.273 178.288 -2.015 25554 2533 1 3 . 1 1 108 108 LEU CA C 108 59.264 59.264 57.774 1.490 25554 2534 1 3 . 1 1 108 108 LEU CB C 108 48.722 48.722 42.100 6.622 25554 2535 1 3 . 1 1 108 108 LEU H H 108 6.725 6.725 7.913 -1.188 25554 2536 1 3 . 1 1 109 109 VAL N N 109 121.267 121.267 119.169 2.098 25554 2537 1 3 . 1 1 109 109 VAL C C 109 175.393 175.393 178.360 -2.967 25554 2538 1 3 . 1 1 109 109 VAL CA C 109 63.949 63.949 65.915 -1.966 25554 2539 1 3 . 1 1 109 109 VAL CB C 109 32.911 32.911 31.430 1.481 25554 2540 1 3 . 1 1 109 109 VAL H H 109 8.763 8.763 8.147 0.616 25554 2541 1 3 . 1 1 110 110 ARG N N 110 112.900 112.900 117.949 -5.049 25554 2542 1 3 . 1 1 110 110 ARG C C 110 176.273 176.273 178.147 -1.874 25554 2543 1 3 . 1 1 110 110 ARG CA C 110 57.507 57.507 58.723 -1.216 25554 2544 1 3 . 1 1 110 110 ARG CB C 110 30.568 30.568 30.337 0.231 25554 2545 1 3 . 1 1 110 110 ARG H H 110 7.241 7.241 7.724 -0.483 25554 2546 1 3 . 1 1 111 111 VAL N N 111 115.556 115.556 116.722 -1.166 25554 2547 1 3 . 1 1 111 111 VAL C C 111 177.445 177.445 176.480 0.965 25554 2548 1 3 . 1 1 111 111 VAL CA C 111 59.849 59.849 65.080 -5.231 25554 2549 1 3 . 1 1 111 111 VAL CB C 111 32.911 32.911 32.484 0.427 25554 2550 1 3 . 1 1 111 111 VAL H H 111 7.566 7.566 7.348 0.218 25554 2551 1 3 . 1 1 112 112 CYS N N 112 114.295 114.295 118.773 -4.478 25554 2552 1 3 . 1 1 112 112 CYS C C 112 169.826 169.826 172.895 -3.069 25554 2553 1 3 . 1 1 112 112 CYS CA C 112 57.507 57.507 58.255 -0.748 25554 2554 1 3 . 1 1 112 112 CYS CB C 112 35.839 35.839 30.585 5.254 25554 2555 1 3 . 1 1 112 112 CYS H H 112 7.425 7.425 8.247 -0.822 25554 2556 1 3 . 1 1 113 113 GLU N N 113 116.486 116.486 125.666 -9.180 25554 2557 1 3 . 1 1 113 113 GLU C C 113 176.566 176.566 175.584 0.982 25554 2558 1 3 . 1 1 113 113 GLU CA C 113 69.219 69.219 56.531 12.688 25554 2559 1 3 . 1 1 113 113 GLU CB C 113 30.568 30.568 30.633 -0.065 25554 2560 1 3 . 1 1 113 113 GLU H H 113 7.241 7.241 8.660 -1.419 25554 2561 1 3 . 1 1 114 114 ASN N N 114 129.302 129.302 117.155 12.147 25554 2562 1 3 . 1 1 114 114 ASN C C 114 175.100 175.100 174.929 0.171 25554 2563 1 3 . 1 1 114 114 ASN CA C 114 52.236 52.236 53.929 -1.693 25554 2564 1 3 . 1 1 114 114 ASN CB C 114 39.938 39.938 37.173 2.765 25554 2565 1 3 . 1 1 114 114 ASN H H 114 8.919 8.919 8.681 0.238 25554 2566 1 3 . 1 1 115 115 ILE N N 115 110.443 110.443 114.002 -3.559 25554 2567 1 3 . 1 1 115 115 ILE C C 115 175.100 175.100 174.649 0.451 25554 2568 1 3 . 1 1 115 115 ILE CA C 115 65.705 65.705 59.289 6.416 25554 2569 1 3 . 1 1 115 115 ILE CB C 115 39.353 39.353 38.295 1.058 25554 2570 1 3 . 1 1 115 115 ILE H H 115 9.287 9.287 7.530 1.757 25554 2571 1 3 . 1 1 116 116 PRO C C 116 175.979 175.979 175.534 0.445 25554 2572 1 3 . 1 1 116 116 PRO CA C 116 63.086 63.086 62.967 0.119 25554 2573 1 3 . 1 1 116 116 PRO CB C 116 29.681 29.681 32.597 -2.916 25554 2574 1 3 . 1 1 117 117 ILE N N 117 123.591 123.591 124.613 -1.022 25554 2575 1 3 . 1 1 117 117 ILE C C 117 174.807 174.807 174.889 -0.082 25554 2576 1 3 . 1 1 117 117 ILE CA C 117 66.291 66.291 60.353 5.938 25554 2577 1 3 . 1 1 117 117 ILE CB C 117 38.767 38.767 42.288 -3.521 25554 2578 1 3 . 1 1 117 117 ILE H H 117 7.781 7.781 8.822 -1.041 25554 2579 1 3 . 1 1 118 118 VAL N N 118 119.009 119.009 125.778 -6.769 25554 2580 1 3 . 1 1 118 118 VAL C C 118 178.324 178.324 174.150 4.174 25554 2581 1 3 . 1 1 118 118 VAL CA C 118 62.777 62.777 60.587 2.190 25554 2582 1 3 . 1 1 118 118 VAL CB C 118 31.154 31.154 34.926 -3.772 25554 2583 1 3 . 1 1 118 118 VAL H H 118 8.767 8.767 9.116 -0.349 25554 2584 1 3 . 1 1 119 119 LEU N N 119 119.408 119.408 128.899 -9.491 25554 2585 1 3 . 1 1 119 119 LEU C C 119 178.031 178.031 175.056 2.975 25554 2586 1 3 . 1 1 119 119 LEU CA C 119 42.866 42.866 53.077 -10.211 25554 2587 1 3 . 1 1 119 119 LEU CB C 119 38.767 38.767 45.239 -6.472 25554 2588 1 3 . 1 1 119 119 LEU H H 119 7.734 7.734 9.217 -1.483 25554 2589 1 3 . 1 1 120 120 CYS N N 120 113.232 113.232 126.504 -13.272 25554 2590 1 3 . 1 1 120 120 CYS C C 120 178.031 178.031 174.292 3.739 25554 2591 1 3 . 1 1 120 120 CYS H H 120 8.317 8.317 9.143 -0.826 25554 2592 1 3 . 1 1 121 121 GLY N N 121 117.349 117.349 112.775 4.574 25554 2593 1 3 . 1 1 121 121 GLY C C 121 176.851 176.851 172.372 4.479 25554 2594 1 3 . 1 1 121 121 GLY CA C 121 41.109 41.109 43.287 -2.178 25554 2595 1 3 . 1 1 121 121 GLY H H 121 7.515 7.515 8.819 -1.304 25554 2596 1 3 . 1 1 122 122 ASN N N 122 125.318 125.318 124.898 0.420 25554 2597 1 3 . 1 1 122 122 ASN C C 122 175.686 175.686 175.236 0.450 25554 2598 1 3 . 1 1 122 122 ASN CA C 122 50.479 50.479 51.541 -1.062 25554 2599 1 3 . 1 1 122 122 ASN CB C 122 39.353 39.353 41.857 -2.504 25554 2600 1 3 . 1 1 122 122 ASN H H 122 9.162 9.162 8.208 0.954 25554 2601 1 3 . 1 1 123 123 LYS N N 123 124.920 124.920 117.492 7.428 25554 2602 1 3 . 1 1 123 123 LYS C C 123 176.566 176.566 177.785 -1.219 25554 2603 1 3 . 1 1 123 123 LYS CA C 123 70.976 70.976 57.223 13.753 25554 2604 1 3 . 1 1 123 123 LYS CB C 123 35.253 35.253 30.323 4.930 25554 2605 1 3 . 1 1 123 123 LYS H H 123 8.086 8.086 8.940 -0.854 25554 2606 1 3 . 1 1 124 124 VAL N N 124 125.517 125.517 112.960 12.557 25554 2607 1 3 . 1 1 124 124 VAL C C 124 177.738 177.738 176.041 1.697 25554 2608 1 3 . 1 1 124 124 VAL CA C 124 62.777 62.777 64.267 -1.490 25554 2609 1 3 . 1 1 124 124 VAL CB C 124 33.496 33.496 31.648 1.848 25554 2610 1 3 . 1 1 124 124 VAL H H 124 9.483 9.483 7.464 2.019 25554 2611 1 3 . 1 1 125 125 ASP N N 125 119.607 119.607 119.327 0.280 25554 2612 1 3 . 1 1 125 125 ASP C C 125 176.566 176.566 177.095 -0.529 25554 2613 1 3 . 1 1 125 125 ASP CA C 125 55.750 55.750 56.064 -0.314 25554 2614 1 3 . 1 1 125 125 ASP CB C 125 40.524 40.524 40.622 -0.098 25554 2615 1 3 . 1 1 125 125 ASP H H 125 7.875 7.875 7.736 0.139 25554 2616 1 3 . 1 1 126 126 ILE N N 126 116.088 116.088 120.672 -4.584 25554 2617 1 3 . 1 1 126 126 ILE C C 126 177.152 177.152 176.657 0.495 25554 2618 1 3 . 1 1 126 126 ILE CA C 126 66.291 66.291 61.378 4.913 25554 2619 1 3 . 1 1 126 126 ILE CB C 126 39.353 39.353 38.704 0.649 25554 2620 1 3 . 1 1 126 126 ILE H H 126 7.511 7.511 7.363 0.148 25554 2621 1 3 . 1 1 127 127 LYS N N 127 117.681 117.681 124.070 -6.389 25554 2622 1 3 . 1 1 127 127 LYS C C 127 177.152 177.152 177.256 -0.104 25554 2623 1 3 . 1 1 127 127 LYS CA C 127 57.507 57.507 58.158 -0.651 25554 2624 1 3 . 1 1 127 127 LYS CB C 127 31.154 31.154 32.667 -1.513 25554 2625 1 3 . 1 1 127 127 LYS H H 127 8.059 8.059 8.412 -0.353 25554 2626 1 3 . 1 1 128 128 ASP N N 128 118.279 118.279 119.430 -1.151 25554 2627 1 3 . 1 1 128 128 ASP C C 128 176.566 176.566 175.217 1.349 25554 2628 1 3 . 1 1 128 128 ASP CA C 128 53.407 53.407 53.402 0.005 25554 2629 1 3 . 1 1 128 128 ASP CB C 128 40.524 40.524 40.533 -0.009 25554 2630 1 3 . 1 1 128 128 ASP H H 128 7.241 7.241 8.029 -0.788 25554 2631 1 3 . 1 1 129 129 ARG N N 129 118.943 118.943 126.528 -7.585 25554 2632 1 3 . 1 1 129 129 ARG C C 129 177.738 177.738 175.846 1.892 25554 2633 1 3 . 1 1 129 129 ARG CA C 129 45.794 45.794 55.681 -9.887 25554 2634 1 3 . 1 1 129 129 ARG CB C 129 31.154 31.154 30.873 0.281 25554 2635 1 3 . 1 1 129 129 ARG H H 129 8.423 8.423 8.061 0.362 25554 2636 1 3 . 1 1 130 130 LYS N N 130 109.381 109.381 124.404 -15.023 25554 2637 1 3 . 1 1 130 130 LYS C C 130 176.566 176.566 176.604 -0.038 25554 2638 1 3 . 1 1 130 130 LYS CA C 130 55.164 55.164 57.346 -2.182 25554 2639 1 3 . 1 1 130 130 LYS CB C 130 36.424 36.424 33.224 3.200 25554 2640 1 3 . 1 1 130 130 LYS H H 130 7.296 7.296 8.553 -1.257 25554 2641 1 3 . 1 1 131 131 VAL N N 131 110.377 110.377 120.707 -10.330 25554 2642 1 3 . 1 1 131 131 VAL C C 131 178.617 178.617 174.445 4.172 25554 2643 1 3 . 1 1 131 131 VAL CA C 131 65.705 65.705 62.014 3.692 25554 2644 1 3 . 1 1 131 131 VAL CB C 131 35.839 35.839 32.640 3.199 25554 2645 1 3 . 1 1 131 131 VAL H H 131 9.283 9.283 7.897 1.386 25554 2646 1 3 . 1 1 132 132 LYS N N 132 110.310 110.310 126.094 -15.784 25554 2647 1 3 . 1 1 132 132 LYS C C 132 176.273 176.273 176.851 -0.578 25554 2648 1 3 . 1 1 132 132 LYS CA C 132 59.849 59.849 54.132 5.717 25554 2649 1 3 . 1 1 132 132 LYS CB C 132 35.253 35.253 36.013 -0.760 25554 2650 1 3 . 1 1 132 132 LYS H H 132 9.709 9.709 7.854 1.855 25554 2651 1 3 . 1 1 133 133 ALA N N 133 134.349 134.349 123.723 10.626 25554 2652 1 3 . 1 1 133 133 ALA CA C 133 51.065 51.065 55.276 -4.211 25554 2653 1 3 . 1 1 133 133 ALA CB C 133 12.999 12.999 18.662 -5.663 25554 2654 1 3 . 1 1 133 133 ALA H H 133 6.322 6.322 8.848 -2.526 25554 2655 1 3 . 1 1 134 134 LYS N N 134 117.615 117.615 116.848 0.767 25554 2656 1 3 . 1 1 134 134 LYS C C 134 176.859 176.859 177.557 -0.698 25554 2657 1 3 . 1 1 134 134 LYS CA C 134 55.750 55.750 59.079 -3.329 25554 2658 1 3 . 1 1 134 134 LYS CB C 134 54.579 54.579 32.120 22.459 25554 2659 1 3 . 1 1 134 134 LYS H H 134 6.549 6.549 8.425 -1.876 25554 2660 1 3 . 1 1 135 135 SER N N 135 109.314 109.314 111.620 -2.306 25554 2661 1 3 . 1 1 135 135 SER C C 135 173.635 173.635 174.274 -0.639 25554 2662 1 3 . 1 1 135 135 SER CA C 135 56.336 56.336 58.179 -1.843 25554 2663 1 3 . 1 1 135 135 SER CB C 135 63.949 63.949 63.320 0.629 25554 2664 1 3 . 1 1 135 135 SER H H 135 7.840 7.840 7.553 0.287 25554 2665 1 3 . 1 1 136 136 ILE N N 136 124.123 124.123 124.326 -0.203 25554 2666 1 3 . 1 1 136 136 ILE C C 136 175.100 175.100 175.767 -0.667 25554 2667 1 3 . 1 1 136 136 ILE CA C 136 68.634 68.634 61.400 7.234 25554 2668 1 3 . 1 1 136 136 ILE CB C 136 43.452 43.452 35.556 7.896 25554 2669 1 3 . 1 1 136 136 ILE H H 136 8.098 8.098 7.149 0.949 25554 2670 1 3 . 1 1 137 137 VAL N N 137 113.232 113.232 125.178 -11.946 25554 2671 1 3 . 1 1 137 137 VAL C C 137 176.859 176.859 175.842 1.017 25554 2672 1 3 . 1 1 137 137 VAL CA C 137 64.534 64.534 61.891 2.643 25554 2673 1 3 . 1 1 137 137 VAL CB C 137 34.082 34.082 31.558 2.523 25554 2674 1 3 . 1 1 137 137 VAL H H 137 7.711 7.711 8.234 -0.523 25554 2675 1 3 . 1 1 138 138 PHE N N 138 118.279 118.279 121.972 -3.693 25554 2676 1 3 . 1 1 138 138 PHE C C 138 175.393 175.393 176.220 -0.827 25554 2677 1 3 . 1 1 138 138 PHE CA C 138 58.092 58.092 61.867 -3.775 25554 2678 1 3 . 1 1 138 138 PHE CB C 138 39.353 39.353 38.925 0.428 25554 2679 1 3 . 1 1 138 138 PHE H H 138 8.317 8.317 8.465 -0.148 25554 2680 1 3 . 1 1 139 139 HIS N N 139 107.654 107.654 117.382 -9.728 25554 2681 1 3 . 1 1 139 139 HIS C C 139 175.979 175.979 177.526 -1.547 25554 2682 1 3 . 1 1 139 139 HIS CA C 139 53.993 53.993 60.554 -6.561 25554 2683 1 3 . 1 1 139 139 HIS CB C 139 28.811 28.811 29.267 -0.456 25554 2684 1 3 . 1 1 139 139 HIS H H 139 8.016 8.016 8.389 -0.373 25554 2685 1 3 . 1 1 140 140 ARG N N 140 117.084 117.084 118.951 -1.867 25554 2686 1 3 . 1 1 140 140 ARG C C 140 176.859 176.859 178.201 -1.342 25554 2687 1 3 . 1 1 140 140 ARG CA C 140 57.507 57.507 59.170 -1.663 25554 2688 1 3 . 1 1 140 140 ARG CB C 140 31.739 31.739 29.910 1.829 25554 2689 1 3 . 1 1 140 140 ARG H H 140 8.763 8.763 8.029 0.734 25554 2690 1 3 . 1 1 141 141 LYS N N 141 115.623 115.623 118.058 -2.435 25554 2691 1 3 . 1 1 141 141 LYS C C 141 173.635 173.635 178.262 -4.627 25554 2692 1 3 . 1 1 141 141 LYS CA C 141 58.092 58.092 58.485 -0.393 25554 2693 1 3 . 1 1 141 141 LYS CB C 141 33.496 33.496 32.352 1.144 25554 2694 1 3 . 1 1 141 141 LYS H H 141 7.449 7.449 7.627 -0.178 25554 2695 1 3 . 1 1 142 142 LYS N N 142 114.162 114.162 115.144 -0.982 25554 2696 1 3 . 1 1 142 142 LYS C C 142 175.979 175.979 176.115 -0.136 25554 2697 1 3 . 1 1 142 142 LYS CA C 142 51.065 51.065 54.742 -3.677 25554 2698 1 3 . 1 1 142 142 LYS CB C 142 34.668 34.668 32.154 2.514 25554 2699 1 3 . 1 1 142 142 LYS H H 142 8.982 8.982 7.137 1.845 25554 2700 1 3 . 1 1 143 143 ASN N N 143 112.103 112.103 115.742 -3.639 25554 2701 1 3 . 1 1 143 143 ASN C C 143 175.100 175.100 174.329 0.771 25554 2702 1 3 . 1 1 143 143 ASN CA C 143 53.407 53.407 54.063 -0.656 25554 2703 1 3 . 1 1 143 143 ASN CB C 143 39.938 39.938 36.423 3.514 25554 2704 1 3 . 1 1 143 143 ASN H H 143 7.402 7.402 8.444 -1.042 25554 2705 1 3 . 1 1 144 144 LEU N N 144 118.810 118.810 117.298 1.512 25554 2706 1 3 . 1 1 144 144 LEU CA C 144 53.993 53.993 54.283 -0.291 25554 2707 1 3 . 1 1 144 144 LEU CB C 144 42.866 42.866 43.446 -0.580 25554 2708 1 3 . 1 1 144 144 LEU H H 144 7.793 7.793 7.547 0.246 25554 2709 1 3 . 1 1 145 145 GLN N N 145 119.607 119.607 117.122 2.485 25554 2710 1 3 . 1 1 145 145 GLN C C 145 176.859 176.859 173.664 3.195 25554 2711 1 3 . 1 1 145 145 GLN CA C 145 55.164 55.164 53.305 1.859 25554 2712 1 3 . 1 1 145 145 GLN CB C 145 29.983 29.983 31.092 -1.109 25554 2713 1 3 . 1 1 145 145 GLN H H 145 7.014 7.014 7.751 -0.737 25554 2714 1 3 . 1 1 146 146 TYR N N 146 119.275 119.275 127.923 -8.648 25554 2715 1 3 . 1 1 146 146 TYR C C 146 174.807 174.807 174.066 0.741 25554 2716 1 3 . 1 1 146 146 TYR CA C 146 62.777 62.777 55.802 6.975 25554 2717 1 3 . 1 1 146 146 TYR CB C 146 41.109 41.109 39.954 1.155 25554 2718 1 3 . 1 1 146 146 TYR H H 146 9.350 9.350 8.015 1.335 25554 2719 1 3 . 1 1 147 147 TYR N N 147 123.658 123.658 126.132 -2.474 25554 2720 1 3 . 1 1 147 147 TYR C C 147 177.738 177.738 174.077 3.661 25554 2721 1 3 . 1 1 147 147 TYR CA C 147 58.092 58.092 56.083 2.010 25554 2722 1 3 . 1 1 147 147 TYR CB C 147 39.938 39.938 41.749 -1.811 25554 2723 1 3 . 1 1 147 147 TYR H H 147 8.340 8.340 8.481 -0.141 25554 2724 1 3 . 1 1 148 148 ASP N N 148 121.267 121.267 122.969 -1.702 25554 2725 1 3 . 1 1 148 148 ASP C C 148 176.859 176.859 175.312 1.547 25554 2726 1 3 . 1 1 148 148 ASP CA C 148 54.579 54.579 54.846 -0.267 25554 2727 1 3 . 1 1 148 148 ASP CB C 148 41.109 41.109 41.659 -0.550 25554 2728 1 3 . 1 1 148 148 ASP H H 148 8.911 8.911 8.430 0.481 25554 2729 1 3 . 1 1 149 149 ILE N N 149 119.607 119.607 123.407 -3.800 25554 2730 1 3 . 1 1 149 149 ILE C C 149 174.807 174.807 174.807 0.000 25554 2731 1 3 . 1 1 149 149 ILE CA C 149 61.020 61.020 60.405 0.615 25554 2732 1 3 . 1 1 149 149 ILE CB C 149 39.353 39.353 42.695 -3.342 25554 2733 1 3 . 1 1 149 149 ILE H H 149 8.712 8.712 8.952 -0.240 25554 2734 1 3 . 1 1 150 150 SER N N 150 117.349 117.349 123.000 -5.651 25554 2735 1 3 . 1 1 150 150 SER C C 150 175.686 175.686 174.284 1.402 25554 2736 1 3 . 1 1 150 150 SER CA C 150 60.435 60.435 56.834 3.601 25554 2737 1 3 . 1 1 150 150 SER CB C 150 62.192 62.192 63.911 -1.719 25554 2738 1 3 . 1 1 150 150 SER H H 150 8.454 8.454 8.972 -0.518 25554 2739 1 3 . 1 1 151 151 ALA N N 151 131.162 131.162 129.057 2.105 25554 2740 1 3 . 1 1 151 151 ALA C C 151 160.742 160.742 179.191 -18.449 25554 2741 1 3 . 1 1 151 151 ALA CA C 151 53.993 53.993 55.215 -1.222 25554 2742 1 3 . 1 1 151 151 ALA CB C 151 22.369 22.369 18.720 3.649 25554 2743 1 3 . 1 1 151 151 ALA H H 151 10.640 10.640 9.008 1.632 25554 2744 1 3 . 1 1 152 152 LYS N N 152 121.400 121.400 119.235 2.165 25554 2745 1 3 . 1 1 152 152 LYS C C 152 174.221 174.221 178.118 -3.897 25554 2746 1 3 . 1 1 152 152 LYS CA C 152 59.849 59.849 59.331 0.518 25554 2747 1 3 . 1 1 152 152 LYS CB C 152 34.668 34.668 32.003 2.665 25554 2748 1 3 . 1 1 152 152 LYS H H 152 9.099 9.099 8.403 0.696 25554 2749 1 3 . 1 1 153 153 SER N N 153 115.212 115.212 112.830 2.382 25554 2750 1 3 . 1 1 153 153 SER C C 153 177.152 177.152 173.994 3.158 25554 2751 1 3 . 1 1 153 153 SER CA C 153 62.192 62.192 58.985 3.207 25554 2752 1 3 . 1 1 153 153 SER CB C 153 66.291 66.291 63.373 2.918 25554 2753 1 3 . 1 1 153 153 SER H H 153 8.935 8.935 7.827 1.108 25554 2754 1 3 . 1 1 154 154 ASN N N 154 119.341 119.341 115.020 4.321 25554 2755 1 3 . 1 1 154 154 ASN C C 154 175.979 175.979 173.979 2.000 25554 2756 1 3 . 1 1 154 154 ASN CA C 154 49.894 49.894 54.603 -4.709 25554 2757 1 3 . 1 1 154 154 ASN CB C 154 39.353 39.353 36.808 2.545 25554 2758 1 3 . 1 1 154 154 ASN H H 154 7.488 7.488 7.737 -0.249 25554 2759 1 3 . 1 1 155 155 TYR N N 155 113.498 113.498 121.837 -8.339 25554 2760 1 3 . 1 1 155 155 TYR C C 155 173.928 173.928 175.088 -1.160 25554 2761 1 3 . 1 1 155 155 TYR CA C 155 56.336 56.336 58.862 -2.526 25554 2762 1 3 . 1 1 155 155 TYR CB C 155 37.596 37.596 39.555 -1.959 25554 2763 1 3 . 1 1 155 155 TYR H H 155 6.486 6.486 8.427 -1.941 25554 2764 1 3 . 1 1 156 156 ASN N N 156 122.396 122.396 123.804 -1.408 25554 2765 1 3 . 1 1 156 156 ASN C C 156 175.979 175.979 174.315 1.664 25554 2766 1 3 . 1 1 156 156 ASN CA C 156 51.651 51.651 54.060 -2.409 25554 2767 1 3 . 1 1 156 156 ASN CB C 156 38.767 38.767 36.092 2.675 25554 2768 1 3 . 1 1 156 156 ASN H H 156 8.352 8.352 8.848 -0.496 25554 2769 1 3 . 1 1 157 157 PHE N N 157 123.459 123.459 118.985 4.474 25554 2770 1 3 . 1 1 157 157 PHE C C 157 174.221 174.221 176.703 -2.482 25554 2771 1 3 . 1 1 157 157 PHE CA C 157 57.507 57.507 61.139 -3.632 25554 2772 1 3 . 1 1 157 157 PHE CB C 157 39.353 39.353 39.627 -0.273 25554 2773 1 3 . 1 1 157 157 PHE H H 157 7.429 7.429 7.501 -0.072 25554 2774 1 3 . 1 1 158 158 GLU N N 158 112.568 112.568 120.104 -7.536 25554 2775 1 3 . 1 1 158 158 GLU C C 158 176.566 176.566 178.429 -1.863 25554 2776 1 3 . 1 1 158 158 GLU CA C 158 72.147 72.147 59.612 12.534 25554 2777 1 3 . 1 1 158 158 GLU CB C 158 27.640 27.640 29.125 -1.485 25554 2778 1 3 . 1 1 158 158 GLU H H 158 7.495 7.495 9.062 -1.567 25554 2779 1 3 . 1 1 159 159 LYS N N 159 113.232 113.232 118.676 -5.444 25554 2780 1 3 . 1 1 159 159 LYS C C 159 176.566 176.566 175.792 0.774 25554 2781 1 3 . 1 1 159 159 LYS CA C 159 53.993 53.993 60.876 -6.883 25554 2782 1 3 . 1 1 159 159 LYS CB C 159 33.496 33.496 30.036 3.460 25554 2783 1 3 . 1 1 159 159 LYS H H 159 6.862 6.862 8.357 -1.495 25554 2784 1 3 . 1 1 160 160 PRO C C 160 176.273 176.273 178.536 -2.263 25554 2785 1 3 . 1 1 160 160 PRO CA C 160 64.258 64.258 65.844 -1.585 25554 2786 1 3 . 1 1 160 160 PRO CB C 160 32.318 32.318 31.115 1.203 25554 2787 1 3 . 1 1 161 161 PHE N N 161 120.271 120.271 115.691 4.580 25554 2788 1 3 . 1 1 161 161 PHE C C 161 175.100 175.100 177.643 -2.543 25554 2789 1 3 . 1 1 161 161 PHE CA C 161 56.336 56.336 61.751 -5.415 25554 2790 1 3 . 1 1 161 161 PHE CB C 161 39.353 39.353 37.700 1.653 25554 2791 1 3 . 1 1 161 161 PHE H H 161 8.074 8.074 7.324 0.750 25554 2792 1 3 . 1 1 162 162 LEU N N 162 110.177 110.177 120.727 -10.550 25554 2793 1 3 . 1 1 162 162 LEU C C 162 176.273 176.273 177.981 -1.708 25554 2794 1 3 . 1 1 162 162 LEU CA C 162 55.750 55.750 58.121 -2.371 25554 2795 1 3 . 1 1 162 162 LEU CB C 162 44.037 44.037 41.204 2.833 25554 2796 1 3 . 1 1 162 162 LEU H H 162 7.527 7.527 8.423 -0.896 25554 2797 1 3 . 1 1 163 163 TRP N N 163 123.525 123.525 120.723 2.802 25554 2798 1 3 . 1 1 163 163 TRP C C 163 177.152 177.152 178.107 -0.955 25554 2799 1 3 . 1 1 163 163 TRP CA C 163 61.606 61.606 62.314 -0.708 25554 2800 1 3 . 1 1 163 163 TRP CB C 163 28.811 28.811 29.578 -0.767 25554 2801 1 3 . 1 1 163 163 TRP H H 163 7.476 7.476 7.949 -0.473 25554 2802 1 3 . 1 1 164 164 LEU N N 164 119.740 119.740 119.063 0.677 25554 2803 1 3 . 1 1 164 164 LEU C C 164 175.686 175.686 178.993 -3.307 25554 2804 1 3 . 1 1 164 164 LEU CA C 164 61.020 61.020 57.890 3.130 25554 2805 1 3 . 1 1 164 164 LEU CB C 164 45.794 45.794 41.408 4.386 25554 2806 1 3 . 1 1 164 164 LEU H H 164 9.412 9.412 8.073 1.339 25554 2807 1 3 . 1 1 165 165 ALA N N 165 118.013 118.013 121.882 -3.869 25554 2808 1 3 . 1 1 165 165 ALA C C 165 165.723 165.723 179.274 -13.551 25554 2809 1 3 . 1 1 165 165 ALA CA C 165 52.236 52.236 55.344 -3.108 25554 2810 1 3 . 1 1 165 165 ALA CB C 165 21.784 21.784 18.484 3.300 25554 2811 1 3 . 1 1 165 165 ALA H H 165 7.707 7.707 8.645 -0.938 25554 2812 1 3 . 1 1 166 166 ARG N N 166 122.994 122.994 118.145 4.849 25554 2813 1 3 . 1 1 166 166 ARG C C 166 175.979 175.979 178.928 -2.949 25554 2814 1 3 . 1 1 166 166 ARG CA C 166 49.308 49.308 59.318 -10.010 25554 2815 1 3 . 1 1 166 166 ARG CB C 166 29.397 29.397 29.966 -0.569 25554 2816 1 3 . 1 1 166 166 ARG H H 166 8.692 8.692 8.025 0.667 25554 2817 1 3 . 1 1 167 167 LYS N N 167 112.568 112.568 119.107 -6.539 25554 2818 1 3 . 1 1 167 167 LYS C C 167 176.273 176.273 179.295 -3.022 25554 2819 1 3 . 1 1 167 167 LYS CA C 167 58.092 58.092 58.450 -0.358 25554 2820 1 3 . 1 1 167 167 LYS CB C 167 34.668 34.668 31.647 3.021 25554 2821 1 3 . 1 1 167 167 LYS H H 167 6.819 6.819 7.499 -0.680 25554 2822 1 3 . 1 1 168 168 LEU N N 168 114.959 114.959 119.613 -4.654 25554 2823 1 3 . 1 1 168 168 LEU C C 168 177.738 177.738 179.055 -1.317 25554 2824 1 3 . 1 1 168 168 LEU CA C 168 56.921 56.921 57.396 -0.475 25554 2825 1 3 . 1 1 168 168 LEU CB C 168 41.695 41.695 41.553 0.142 25554 2826 1 3 . 1 1 168 168 LEU H H 168 7.269 7.269 7.867 -0.598 25554 2827 1 3 . 1 1 169 169 ILE N N 169 124.986 124.986 116.726 8.260 25554 2828 1 3 . 1 1 169 169 ILE C C 169 171.877 171.877 177.663 -5.786 25554 2829 1 3 . 1 1 169 169 ILE CA C 169 68.048 68.048 63.191 4.857 25554 2830 1 3 . 1 1 169 169 ILE CB C 169 39.353 39.353 38.852 0.501 25554 2831 1 3 . 1 1 169 169 ILE H H 169 8.915 8.915 8.137 0.778 25554 2832 1 3 . 1 1 170 170 GLY N N 170 113.099 113.099 107.442 5.657 25554 2833 1 3 . 1 1 170 170 GLY C C 170 162.496 162.496 173.988 -11.492 25554 2834 1 3 . 1 1 170 170 GLY CA C 170 44.037 44.037 44.877 -0.840 25554 2835 1 3 . 1 1 170 170 GLY H H 170 6.686 6.686 8.132 -1.446 25554 2836 1 3 . 1 1 171 171 ASP N N 171 113.232 113.232 121.503 -8.271 25554 2837 1 3 . 1 1 171 171 ASP C C 171 178.910 178.910 175.650 3.260 25554 2838 1 3 . 1 1 171 171 ASP CA C 171 50.479 50.479 50.569 -0.090 25554 2839 1 3 . 1 1 171 171 ASP CB C 171 41.109 41.109 42.022 -0.913 25554 2840 1 3 . 1 1 171 171 ASP H H 171 6.815 6.815 7.799 -0.984 25554 2841 1 3 . 1 1 172 172 PRO C C 172 176.566 176.566 176.992 -0.426 25554 2842 1 3 . 1 1 172 172 PRO CA C 172 63.965 63.965 64.326 -0.361 25554 2843 1 3 . 1 1 172 172 PRO CB C 172 31.732 31.732 32.043 -0.311 25554 2844 1 3 . 1 1 173 173 ASN N N 173 109.779 109.779 114.436 -4.657 25554 2845 1 3 . 1 1 173 173 ASN C C 173 175.979 175.979 175.925 0.054 25554 2846 1 3 . 1 1 173 173 ASN CA C 173 54.579 54.579 53.617 0.962 25554 2847 1 3 . 1 1 173 173 ASN CB C 173 36.424 36.424 38.613 -2.189 25554 2848 1 3 . 1 1 173 173 ASN H H 173 8.016 8.016 8.329 -0.313 25554 2849 1 3 . 1 1 174 174 LEU N N 174 109.248 109.248 122.833 -13.585 25554 2850 1 3 . 1 1 174 174 LEU C C 174 176.566 176.566 174.993 1.573 25554 2851 1 3 . 1 1 174 174 LEU CA C 174 56.336 56.336 55.796 0.540 25554 2852 1 3 . 1 1 174 174 LEU CB C 174 44.037 44.037 42.545 1.492 25554 2853 1 3 . 1 1 174 174 LEU H H 174 7.871 7.871 7.445 0.426 25554 2854 1 3 . 1 1 175 175 GLU N N 175 125.185 125.185 123.806 1.379 25554 2855 1 3 . 1 1 175 175 GLU C C 175 177.445 177.445 174.797 2.648 25554 2856 1 3 . 1 1 175 175 GLU CA C 175 76.247 76.247 54.794 21.453 25554 2857 1 3 . 1 1 175 175 GLU CB C 175 28.811 28.811 33.818 -5.007 25554 2858 1 3 . 1 1 175 175 GLU H H 175 9.127 9.127 8.260 0.867 25554 2859 1 3 . 1 1 176 176 PHE N N 176 136.873 136.873 121.152 15.721 25554 2860 1 3 . 1 1 176 176 PHE C C 176 178.617 178.617 176.077 2.540 25554 2861 1 3 . 1 1 176 176 PHE CA C 176 59.264 59.264 57.553 1.711 25554 2862 1 3 . 1 1 176 176 PHE CB C 176 44.623 44.623 38.955 5.668 25554 2863 1 3 . 1 1 176 176 PHE H H 176 10.058 10.058 8.798 1.260 25554 2864 1 3 . 1 1 177 177 VAL N N 177 118.877 118.877 124.197 -5.320 25554 2865 1 3 . 1 1 177 177 VAL C C 177 177.445 177.445 176.376 1.069 25554 2866 1 3 . 1 1 177 177 VAL CA C 177 62.777 62.777 64.439 -1.661 25554 2867 1 3 . 1 1 177 177 VAL CB C 177 34.668 34.668 32.557 2.111 25554 2868 1 3 . 1 1 177 177 VAL H H 177 7.789 7.789 9.215 -1.426 25554 2869 1 3 . 1 1 178 178 ALA N N 178 128.904 128.904 121.211 7.693 25554 2870 1 3 . 1 1 178 178 ALA CA C 178 57.507 57.507 50.708 6.800 25554 2871 1 3 . 1 1 178 178 ALA CB C 178 19.441 19.441 21.553 -2.112 25554 2872 1 3 . 1 1 178 178 ALA H H 178 7.566 7.566 7.803 -0.237 25554 2873 1 3 . 1 1 179 179 MET N N 179 120.736 120.736 123.299 -2.563 25554 2874 1 3 . 1 1 179 179 MET C C 179 176.859 176.859 174.714 2.145 25554 2875 1 3 . 1 1 179 179 MET CA C 179 56.336 56.336 53.471 2.865 25554 2876 1 3 . 1 1 179 179 MET CB C 179 34.668 34.668 32.674 1.994 25554 2877 1 3 . 1 1 179 179 MET H H 179 7.930 7.930 8.708 -0.778 25554 2878 1 3 . 1 1 180 180 PRO C C 180 177.445 177.445 175.944 1.501 25554 2879 1 3 . 1 1 180 180 PRO CA C 180 64.844 64.844 62.434 2.410 25554 2880 1 3 . 1 1 180 180 PRO CB C 180 29.974 29.974 32.244 -2.270 25554 2881 1 3 . 1 1 181 181 ALA N N 181 128.439 128.439 123.815 4.624 25554 2882 1 3 . 1 1 181 181 ALA C C 181 176.273 176.273 175.876 0.397 25554 2883 1 3 . 1 1 181 181 ALA CA C 181 58.092 58.092 52.044 6.048 25554 2884 1 3 . 1 1 181 181 ALA CB C 181 21.198 21.198 19.829 1.369 25554 2885 1 3 . 1 1 181 181 ALA H H 181 8.673 8.673 8.302 0.371 25554 2886 1 3 . 1 1 182 182 LEU N N 182 122.130 122.130 123.042 -0.912 25554 2887 1 3 . 1 1 182 182 LEU C C 182 177.445 177.445 176.716 0.729 25554 2888 1 3 . 1 1 182 182 LEU CA C 182 55.164 55.164 52.501 2.663 25554 2889 1 3 . 1 1 182 182 LEU CB C 182 42.866 42.866 45.938 -3.072 25554 2890 1 3 . 1 1 182 182 LEU H H 182 8.821 8.821 8.022 0.799 25554 2891 1 3 . 1 1 183 183 ALA N N 183 108.783 108.783 124.923 -16.140 25554 2892 1 3 . 1 1 183 183 ALA C C 183 160.742 160.742 175.341 -14.599 25554 2893 1 3 . 1 1 183 183 ALA CA C 183 51.651 51.651 50.525 1.126 25554 2894 1 3 . 1 1 183 183 ALA CB C 183 18.856 18.856 18.008 0.848 25554 2895 1 3 . 1 1 183 183 ALA H H 183 7.621 7.621 8.347 -0.726 25554 2896 1 3 . 1 1 184 184 PRO C C 184 177.152 177.152 174.802 2.350 25554 2897 1 3 . 1 1 184 184 PRO CA C 184 64.258 64.258 61.821 2.437 25554 2898 1 3 . 1 1 184 184 PRO CB C 184 29.681 29.681 31.539 -1.858 25554 2899 1 3 . 1 1 185 185 PRO C C 185 175.686 175.686 177.097 -1.411 25554 2900 1 3 . 1 1 185 185 PRO CA C 185 63.379 63.379 63.194 0.185 25554 2901 1 3 . 1 1 185 185 PRO CB C 185 35.248 35.248 32.194 3.054 25554 2902 1 3 . 1 1 186 186 GLU N N 186 104.931 104.931 124.476 -19.545 25554 2903 1 3 . 1 1 186 186 GLU C C 186 174.221 174.221 176.511 -2.290 25554 2904 1 3 . 1 1 186 186 GLU CA C 186 57.507 57.507 58.603 -1.096 25554 2905 1 3 . 1 1 186 186 GLU CB C 186 31.739 31.739 30.174 1.565 25554 2906 1 3 . 1 1 186 186 GLU H H 186 8.673 8.673 8.646 0.027 25554 2907 1 3 . 1 1 187 187 VAL N N 187 124.455 124.455 111.098 13.357 25554 2908 1 3 . 1 1 187 187 VAL C C 187 178.910 178.910 174.088 4.822 25554 2909 1 3 . 1 1 187 187 VAL CA C 187 63.363 63.363 59.922 3.441 25554 2910 1 3 . 1 1 187 187 VAL CB C 187 34.082 34.082 35.153 -1.071 25554 2911 1 3 . 1 1 187 187 VAL H H 187 8.622 8.622 7.390 1.232 25554 2912 1 3 . 1 1 188 188 VAL N N 188 128.572 128.572 122.150 6.422 25554 2913 1 3 . 1 1 188 188 VAL C C 188 178.324 178.324 175.113 3.211 25554 2914 1 3 . 1 1 188 188 VAL CA C 188 68.634 68.634 60.942 7.692 25554 2915 1 3 . 1 1 188 188 VAL CB C 188 31.154 31.154 32.981 -1.827 25554 2916 1 3 . 1 1 188 188 VAL H H 188 8.497 8.497 8.180 0.317 25554 2917 1 3 . 1 1 189 189 MET N N 189 122.795 122.795 126.548 -3.753 25554 2918 1 3 . 1 1 189 189 MET C C 189 177.445 177.445 175.397 2.048 25554 2919 1 3 . 1 1 189 189 MET CA C 189 55.164 55.164 55.754 -0.590 25554 2920 1 3 . 1 1 189 189 MET CB C 189 35.253 35.253 33.001 2.252 25554 2921 1 3 . 1 1 189 189 MET H H 189 6.991 6.991 8.458 -1.467 25554 2922 1 3 . 1 1 190 190 ASP N N 190 114.959 114.959 127.332 -12.373 25554 2923 1 3 . 1 1 190 190 ASP C C 190 175.686 175.686 175.275 0.411 25554 2924 1 3 . 1 1 190 190 ASP CA C 190 51.065 51.065 51.963 -0.898 25554 2925 1 3 . 1 1 190 190 ASP CB C 190 41.695 41.695 40.673 1.022 25554 2926 1 3 . 1 1 190 190 ASP H H 190 7.210 7.210 8.514 -1.304 25554 2927 1 3 . 1 1 191 191 PRO C C 191 176.566 176.566 178.278 -1.712 25554 2928 1 3 . 1 1 191 191 PRO CA C 191 63.965 63.965 65.505 -1.540 25554 2929 1 3 . 1 1 191 191 PRO CB C 191 31.146 31.146 31.897 -0.751 25554 2930 1 3 . 1 1 192 192 ALA N N 192 109.513 109.513 121.161 -11.648 25554 2931 1 3 . 1 1 192 192 ALA CA C 192 53.993 53.993 54.813 -0.820 25554 2932 1 3 . 1 1 192 192 ALA CB C 192 19.441 19.441 17.994 1.447 25554 2933 1 3 . 1 1 192 192 ALA H H 192 7.394 7.394 8.290 -0.896 25554 2934 1 3 . 1 1 193 193 LEU N N 193 119.009 119.009 119.664 -0.655 25554 2935 1 3 . 1 1 193 193 LEU C C 193 175.979 175.979 178.972 -2.993 25554 2936 1 3 . 1 1 193 193 LEU CA C 193 56.336 56.336 57.127 -0.791 25554 2937 1 3 . 1 1 193 193 LEU CB C 193 42.866 42.866 41.251 1.615 25554 2938 1 3 . 1 1 193 193 LEU H H 193 8.340 8.340 8.011 0.329 25554 2939 1 3 . 1 1 194 194 ALA N N 194 121.666 121.666 121.499 0.167 25554 2940 1 3 . 1 1 194 194 ALA C C 194 166.896 166.896 179.271 -12.375 25554 2941 1 3 . 1 1 194 194 ALA CA C 194 55.164 55.164 54.808 0.356 25554 2942 1 3 . 1 1 194 194 ALA CB C 194 16.513 16.513 18.096 -1.583 25554 2943 1 3 . 1 1 194 194 ALA H H 194 8.176 8.176 8.106 0.070 25554 2944 1 3 . 1 1 195 195 ALA N N 195 119.541 119.541 121.395 -1.854 25554 2945 1 3 . 1 1 195 195 ALA C C 195 173.928 173.928 179.725 -5.797 25554 2946 1 3 . 1 1 195 195 ALA CA C 195 57.507 57.507 54.785 2.722 25554 2947 1 3 . 1 1 195 195 ALA CB C 195 19.441 19.441 18.405 1.036 25554 2948 1 3 . 1 1 195 195 ALA H H 195 8.364 8.364 8.297 0.067 25554 2949 1 3 . 1 1 196 196 GLN N N 196 107.322 107.322 118.452 -11.130 25554 2950 1 3 . 1 1 196 196 GLN C C 196 176.273 176.273 178.700 -2.427 25554 2951 1 3 . 1 1 196 196 GLN CA C 196 56.921 56.921 59.150 -2.229 25554 2952 1 3 . 1 1 196 196 GLN CB C 196 29.983 29.983 28.668 1.315 25554 2953 1 3 . 1 1 196 196 GLN H H 196 7.910 7.910 8.061 -0.151 25554 2954 1 3 . 1 1 197 197 TYR N N 197 115.623 115.623 119.377 -3.754 25554 2955 1 3 . 1 1 197 197 TYR CA C 197 67.462 67.462 58.888 8.574 25554 2956 1 3 . 1 1 197 197 TYR CB C 197 41.695 41.695 37.699 3.996 25554 2957 1 3 . 1 1 197 197 TYR H H 197 8.196 8.196 8.420 -0.224 25554 2958 1 3 . 1 1 198 198 GLU N N 198 110.244 110.244 120.442 -10.198 25554 2959 1 3 . 1 1 198 198 GLU C C 198 176.273 176.273 178.888 -2.615 25554 2960 1 3 . 1 1 198 198 GLU CA C 198 53.407 53.407 59.495 -6.088 25554 2961 1 3 . 1 1 198 198 GLU CB C 198 30.568 30.568 29.652 0.916 25554 2962 1 3 . 1 1 198 198 GLU H H 198 7.523 7.523 8.237 -0.714 25554 2963 1 3 . 1 1 199 199 HIS N N 199 118.611 118.611 120.157 -1.546 25554 2964 1 3 . 1 1 199 199 HIS C C 199 175.686 175.686 177.241 -1.555 25554 2965 1 3 . 1 1 199 199 HIS CA C 199 56.921 56.921 59.575 -2.654 25554 2966 1 3 . 1 1 199 199 HIS CB C 199 28.226 28.226 29.798 -1.572 25554 2967 1 3 . 1 1 199 199 HIS H H 199 8.512 8.512 8.533 -0.021 25554 2968 1 3 . 1 1 200 200 ASP N N 200 120.736 120.736 120.118 0.618 25554 2969 1 3 . 1 1 200 200 ASP C C 200 176.273 176.273 178.992 -2.719 25554 2970 1 3 . 1 1 200 200 ASP CA C 200 56.921 56.921 57.363 -0.442 25554 2971 1 3 . 1 1 200 200 ASP CB C 200 40.524 40.524 40.468 0.056 25554 2972 1 3 . 1 1 200 200 ASP H H 200 7.519 7.519 8.408 -0.889 25554 2973 1 3 . 1 1 201 201 LEU N N 201 116.353 116.353 120.308 -3.955 25554 2974 1 3 . 1 1 201 201 LEU C C 201 178.910 178.910 179.207 -0.297 25554 2975 1 3 . 1 1 201 201 LEU CA C 201 61.606 61.606 58.150 3.457 25554 2976 1 3 . 1 1 201 201 LEU CB C 201 41.109 41.109 41.874 -0.765 25554 2977 1 3 . 1 1 201 201 LEU H H 201 7.722 7.722 8.108 -0.386 25554 2978 1 3 . 1 1 202 202 GLU N N 202 118.080 118.080 119.706 -1.626 25554 2979 1 3 . 1 1 202 202 GLU C C 202 176.566 176.566 178.971 -2.405 25554 2980 1 3 . 1 1 202 202 GLU CA C 202 56.921 56.921 58.997 -2.076 25554 2981 1 3 . 1 1 202 202 GLU CB C 202 30.568 30.568 29.703 0.865 25554 2982 1 3 . 1 1 202 202 GLU H H 202 8.857 8.857 8.155 0.702 25554 2983 1 3 . 1 1 203 203 VAL N N 203 129.369 129.369 119.266 10.103 25554 2984 1 3 . 1 1 203 203 VAL C C 203 178.617 178.617 177.071 1.546 25554 2985 1 3 . 1 1 203 203 VAL CA C 203 64.534 64.534 65.126 -0.592 25554 2986 1 3 . 1 1 203 203 VAL CB C 203 27.640 27.640 31.827 -4.187 25554 2987 1 3 . 1 1 203 203 VAL H H 203 9.283 9.283 7.882 1.401 25554 2988 1 3 . 1 1 204 204 ALA N N 204 109.580 109.580 119.484 -9.904 25554 2989 1 3 . 1 1 204 204 ALA C C 204 176.859 176.859 176.981 -0.122 25554 2990 1 3 . 1 1 204 204 ALA CA C 204 54.579 54.579 52.226 2.353 25554 2991 1 3 . 1 1 204 204 ALA CB C 204 18.270 18.270 19.911 -1.641 25554 2992 1 3 . 1 1 204 204 ALA H H 204 8.528 8.528 7.525 1.003 25554 2993 1 3 . 1 1 205 205 GLN N N 205 115.756 115.756 118.277 -2.521 25554 2994 1 3 . 1 1 205 205 GLN C C 205 175.979 175.979 176.014 -0.035 25554 2995 1 3 . 1 1 205 205 GLN CA C 205 48.137 48.137 55.514 -7.377 25554 2996 1 3 . 1 1 205 205 GLN CB C 205 25.883 25.883 28.953 -3.070 25554 2997 1 3 . 1 1 205 205 GLN H H 205 7.973 7.973 8.025 -0.052 25554 2998 1 3 . 1 1 206 206 THR N N 206 120.271 120.271 115.985 4.286 25554 2999 1 3 . 1 1 206 206 THR C C 206 176.273 176.273 173.788 2.485 25554 3000 1 3 . 1 1 206 206 THR CA C 206 67.462 67.462 63.066 4.396 25554 3001 1 3 . 1 1 206 206 THR CB C 206 70.390 70.390 67.372 3.018 25554 3002 1 3 . 1 1 206 206 THR H H 206 7.585 7.585 8.823 -1.238 25554 3003 1 3 . 1 1 207 207 THR N N 207 111.970 111.970 110.342 1.628 25554 3004 1 3 . 1 1 207 207 THR C C 207 176.566 176.566 173.802 2.764 25554 3005 1 3 . 1 1 207 207 THR CA C 207 64.534 64.534 63.122 1.412 25554 3006 1 3 . 1 1 207 207 THR CB C 207 72.733 72.733 67.652 5.081 25554 3007 1 3 . 1 1 207 207 THR H H 207 7.468 7.468 8.035 -0.567 25554 3008 1 3 . 1 1 208 208 ALA N N 208 115.623 115.623 122.095 -6.472 25554 3009 1 3 . 1 1 208 208 ALA C C 208 168.947 168.947 177.530 -8.583 25554 3010 1 3 . 1 1 208 208 ALA CA C 208 55.164 55.164 51.627 3.537 25554 3011 1 3 . 1 1 208 208 ALA CB C 208 22.369 22.369 20.445 1.924 25554 3012 1 3 . 1 1 208 208 ALA H H 208 7.390 7.390 7.748 -0.358 25554 3013 1 3 . 1 1 209 209 LEU N N 209 117.814 117.814 118.868 -1.054 25554 3014 1 3 . 1 1 209 209 LEU C C 209 176.273 176.273 176.263 0.010 25554 3015 1 3 . 1 1 209 209 LEU CA C 209 58.678 58.678 57.309 1.369 25554 3016 1 3 . 1 1 209 209 LEU CB C 209 46.380 46.380 39.851 6.529 25554 3017 1 3 . 1 1 209 209 LEU H H 209 7.652 7.652 8.406 -0.754 25554 3018 1 3 . 1 1 210 210 PRO C C 210 176.566 176.566 175.377 1.189 25554 3019 1 3 . 1 1 210 210 PRO CA C 210 63.086 63.086 62.317 0.769 25554 3020 1 3 . 1 1 210 210 PRO CB C 210 31.146 31.146 32.490 -1.344 25554 3021 1 3 . 1 1 211 211 ASP N N 211 121.134 121.134 120.814 0.320 25554 3022 1 3 . 1 1 211 211 ASP C C 211 176.273 176.273 176.673 -0.400 25554 3023 1 3 . 1 1 211 211 ASP CA C 211 52.236 52.236 52.440 -0.204 25554 3024 1 3 . 1 1 211 211 ASP CB C 211 42.281 42.281 43.444 -1.163 25554 3025 1 3 . 1 1 211 211 ASP H H 211 9.510 9.510 8.042 1.468 25554 3026 1 3 . 1 1 212 212 GLU N N 212 131.162 131.162 121.113 10.049 25554 3027 1 3 . 1 1 212 212 GLU C C 212 176.273 176.273 176.257 0.016 25554 3028 1 3 . 1 1 212 212 GLU CA C 212 55.164 55.164 58.305 -3.141 25554 3029 1 3 . 1 1 212 212 GLU CB C 212 30.568 30.568 29.841 0.727 25554 3030 1 3 . 1 1 212 212 GLU H H 212 8.399 8.399 8.663 -0.264 25554 3031 1 3 . 1 1 213 213 ASP N N 213 115.822 115.822 117.746 -1.924 25554 3032 1 3 . 1 1 213 213 ASP C C 213 174.807 174.807 174.431 0.376 25554 3033 1 3 . 1 1 213 213 ASP CA C 213 51.065 51.065 55.026 -3.961 25554 3034 1 3 . 1 1 213 213 ASP CB C 213 41.109 41.109 39.471 1.638 25554 3035 1 3 . 1 1 213 213 ASP H H 213 10.699 10.699 8.362 2.337 25554 3036 1 3 . 1 1 214 214 ASP N N 214 112.369 112.369 117.101 -4.732 25554 3037 1 3 . 1 1 214 214 ASP C C 214 178.910 178.910 176.129 2.781 25554 3038 1 3 . 1 1 214 214 ASP CA C 214 54.579 54.579 52.397 2.182 25554 3039 1 3 . 1 1 214 214 ASP CB C 214 39.353 39.353 43.061 -3.708 25554 3040 1 3 . 1 1 214 214 ASP H H 214 7.464 7.464 7.922 -0.458 25554 3041 1 3 . 1 1 215 215 ASP N N 215 127.244 127.244 126.026 1.218 25554 3042 1 3 . 1 1 215 215 ASP C C 215 176.859 176.859 177.312 -0.453 25554 3043 1 3 . 1 1 215 215 ASP CA C 215 54.579 54.579 56.133 -1.554 25554 3044 1 3 . 1 1 215 215 ASP CB C 215 40.524 40.524 41.195 -0.671 25554 3045 1 3 . 1 1 215 215 ASP H H 215 8.301 8.301 8.742 -0.441 25554 3046 1 4 . 1 1 2 2 ALA N N 2 131.228 131.228 123.969 7.259 25554 3047 1 4 . 1 1 2 2 ALA C C 2 187.031 187.031 177.814 9.217 25554 3048 1 4 . 1 1 2 2 ALA CA C 2 53.407 53.407 52.871 0.536 25554 3049 1 4 . 1 1 2 2 ALA CB C 2 20.027 20.027 18.963 1.064 25554 3050 1 4 . 1 1 2 2 ALA H H 2 10.644 10.644 8.280 2.364 25554 3051 1 4 . 1 1 3 3 ALA N N 3 124.521 124.521 121.431 3.090 25554 3052 1 4 . 1 1 3 3 ALA C C 3 176.566 176.566 176.905 -0.339 25554 3053 1 4 . 1 1 3 3 ALA CA C 3 49.894 49.894 51.252 -1.358 25554 3054 1 4 . 1 1 3 3 ALA CB C 3 18.270 18.270 19.979 -1.709 25554 3055 1 4 . 1 1 3 3 ALA H H 3 8.669 8.669 7.843 0.826 25554 3056 1 4 . 1 1 4 4 GLN N N 4 118.080 118.080 121.212 -3.132 25554 3057 1 4 . 1 1 4 4 GLN C C 4 176.273 176.273 177.552 -1.279 25554 3058 1 4 . 1 1 4 4 GLN CA C 4 54.579 54.579 56.144 -1.565 25554 3059 1 4 . 1 1 4 4 GLN CB C 4 27.054 27.054 29.331 -2.277 25554 3060 1 4 . 1 1 4 4 GLN H H 4 8.919 8.919 8.304 0.615 25554 3061 1 4 . 1 1 5 5 GLY N N 5 121.002 121.002 109.856 11.146 25554 3062 1 4 . 1 1 5 5 GLY C C 5 181.877 181.877 174.442 7.435 25554 3063 1 4 . 1 1 5 5 GLY CA C 5 45.794 45.794 45.051 0.743 25554 3064 1 4 . 1 1 5 5 GLY H H 5 8.082 8.082 8.715 -0.633 25554 3065 1 4 . 1 1 6 6 GLU N N 6 129.435 129.435 121.854 7.581 25554 3066 1 4 . 1 1 6 6 GLU C C 6 176.566 176.566 174.886 1.680 25554 3067 1 4 . 1 1 6 6 GLU CA C 6 56.336 56.336 55.020 1.316 25554 3068 1 4 . 1 1 6 6 GLU CB C 6 28.811 28.811 30.049 -1.238 25554 3069 1 4 . 1 1 6 6 GLU H H 6 9.267 9.267 8.297 0.970 25554 3070 1 4 . 1 1 7 7 PRO C C 7 176.566 176.566 176.184 0.382 25554 3071 1 4 . 1 1 7 7 PRO CA C 7 63.672 63.672 62.682 0.990 25554 3072 1 4 . 1 1 7 7 PRO CB C 7 31.146 31.146 32.453 -1.307 25554 3073 1 4 . 1 1 8 8 GLN N N 8 112.502 112.502 120.187 -7.685 25554 3074 1 4 . 1 1 8 8 GLN C C 8 177.445 177.445 175.799 1.646 25554 3075 1 4 . 1 1 8 8 GLN CA C 8 50.479 50.479 56.319 -5.840 25554 3076 1 4 . 1 1 8 8 GLN CB C 8 28.811 28.811 29.065 -0.254 25554 3077 1 4 . 1 1 8 8 GLN H H 8 6.220 6.220 8.327 -2.107 25554 3078 1 4 . 1 1 9 9 VAL N N 9 117.416 117.416 127.463 -10.047 25554 3079 1 4 . 1 1 9 9 VAL C C 9 178.324 178.324 174.518 3.806 25554 3080 1 4 . 1 1 9 9 VAL CA C 9 63.363 63.363 62.356 1.007 25554 3081 1 4 . 1 1 9 9 VAL CB C 9 34.668 34.668 32.362 2.305 25554 3082 1 4 . 1 1 9 9 VAL H H 9 6.561 6.561 8.084 -1.523 25554 3083 1 4 . 1 1 10 10 GLN N N 10 113.896 113.896 124.266 -10.370 25554 3084 1 4 . 1 1 10 10 GLN C C 10 176.273 176.273 174.694 1.579 25554 3085 1 4 . 1 1 10 10 GLN CA C 10 55.164 55.164 53.953 1.211 25554 3086 1 4 . 1 1 10 10 GLN CB C 10 28.226 28.226 32.735 -4.509 25554 3087 1 4 . 1 1 10 10 GLN H H 10 7.847 7.847 8.190 -0.343 25554 3088 1 4 . 1 1 11 11 PHE N N 11 118.744 118.744 121.852 -3.108 25554 3089 1 4 . 1 1 11 11 PHE C C 11 176.566 176.566 174.684 1.882 25554 3090 1 4 . 1 1 11 11 PHE CA C 11 59.849 59.849 56.695 3.154 25554 3091 1 4 . 1 1 11 11 PHE CB C 11 41.109 41.109 42.707 -1.598 25554 3092 1 4 . 1 1 11 11 PHE H H 11 8.262 8.262 9.229 -0.967 25554 3093 1 4 . 1 1 12 12 LYS N N 12 124.123 124.123 123.483 0.640 25554 3094 1 4 . 1 1 12 12 LYS C C 12 177.152 177.152 175.948 1.204 25554 3095 1 4 . 1 1 12 12 LYS CA C 12 57.507 57.507 56.452 1.055 25554 3096 1 4 . 1 1 12 12 LYS CB C 12 28.811 28.811 33.473 -4.662 25554 3097 1 4 . 1 1 12 12 LYS H H 12 8.415 8.415 8.859 -0.444 25554 3098 1 4 . 1 1 13 13 LEU N N 13 112.103 112.103 128.738 -16.635 25554 3099 1 4 . 1 1 13 13 LEU C C 13 177.738 177.738 174.684 3.054 25554 3100 1 4 . 1 1 13 13 LEU CA C 13 54.579 54.579 53.703 0.876 25554 3101 1 4 . 1 1 13 13 LEU CB C 13 42.866 42.866 45.456 -2.590 25554 3102 1 4 . 1 1 13 13 LEU H H 13 6.905 6.905 9.341 -2.436 25554 3103 1 4 . 1 1 14 14 VAL N N 14 127.310 127.310 126.750 0.560 25554 3104 1 4 . 1 1 14 14 VAL C C 14 175.393 175.393 174.008 1.385 25554 3105 1 4 . 1 1 14 14 VAL CA C 14 70.976 70.976 61.673 9.303 25554 3106 1 4 . 1 1 14 14 VAL CB C 14 28.811 28.811 33.732 -4.921 25554 3107 1 4 . 1 1 14 14 VAL H H 14 8.305 8.305 9.117 -0.812 25554 3108 1 4 . 1 1 15 15 LEU N N 15 121.400 121.400 130.831 -9.431 25554 3109 1 4 . 1 1 15 15 LEU C C 15 173.342 173.342 174.704 -1.362 25554 3110 1 4 . 1 1 15 15 LEU CA C 15 56.336 56.336 53.166 3.170 25554 3111 1 4 . 1 1 15 15 LEU CB C 15 41.695 41.695 44.468 -2.773 25554 3112 1 4 . 1 1 15 15 LEU H H 15 7.785 7.785 8.910 -1.125 25554 3113 1 4 . 1 1 16 16 VAL N N 16 121.267 121.267 118.415 2.852 25554 3114 1 4 . 1 1 16 16 VAL C C 16 178.324 178.324 174.597 3.727 25554 3115 1 4 . 1 1 16 16 VAL CA C 16 63.363 63.363 58.306 5.057 25554 3116 1 4 . 1 1 16 16 VAL CB C 16 35.839 35.839 35.423 0.416 25554 3117 1 4 . 1 1 16 16 VAL H H 16 8.935 8.935 8.707 0.228 25554 3118 1 4 . 1 1 17 17 GLY N N 17 127.908 127.908 107.402 20.506 25554 3119 1 4 . 1 1 17 17 GLY C C 17 174.514 174.514 172.280 2.234 25554 3120 1 4 . 1 1 17 17 GLY CA C 17 42.281 42.281 44.904 -2.623 25554 3121 1 4 . 1 1 17 17 GLY H H 17 9.682 9.682 7.342 2.340 25554 3122 1 4 . 1 1 18 18 ASP N N 18 119.673 119.673 121.030 -1.357 25554 3123 1 4 . 1 1 18 18 ASP C C 18 176.859 176.859 177.235 -0.376 25554 3124 1 4 . 1 1 18 18 ASP CA C 18 55.750 55.750 54.049 1.701 25554 3125 1 4 . 1 1 18 18 ASP CB C 18 39.938 39.938 42.037 -2.099 25554 3126 1 4 . 1 1 18 18 ASP H H 18 7.879 7.879 7.907 -0.028 25554 3127 1 4 . 1 1 19 19 GLY N N 19 120.670 120.670 108.274 12.396 25554 3128 1 4 . 1 1 19 19 GLY C C 19 178.324 178.324 175.013 3.311 25554 3129 1 4 . 1 1 19 19 GLY CA C 19 42.281 42.281 45.694 -3.413 25554 3130 1 4 . 1 1 19 19 GLY H H 19 8.825 8.825 8.646 0.179 25554 3131 1 4 . 1 1 20 20 GLY N N 20 129.369 129.369 113.088 16.281 25554 3132 1 4 . 1 1 20 20 GLY C C 20 174.221 174.221 175.598 -1.377 25554 3133 1 4 . 1 1 20 20 GLY CA C 20 41.695 41.695 45.579 -3.884 25554 3134 1 4 . 1 1 20 20 GLY H H 20 8.477 8.477 8.602 -0.125 25554 3135 1 4 . 1 1 21 21 THR N N 21 114.560 114.560 117.693 -3.133 25554 3136 1 4 . 1 1 21 21 THR C C 21 178.617 178.617 174.670 3.947 25554 3137 1 4 . 1 1 21 21 THR CA C 21 62.192 62.192 66.131 -3.939 25554 3138 1 4 . 1 1 21 21 THR CB C 21 70.390 70.390 68.996 1.394 25554 3139 1 4 . 1 1 21 21 THR H H 21 8.196 8.196 7.957 0.239 25554 3140 1 4 . 1 1 22 22 GLY N N 22 112.369 112.369 106.532 5.837 25554 3141 1 4 . 1 1 22 22 GLY C C 22 184.807 184.807 175.418 9.389 25554 3142 1 4 . 1 1 22 22 GLY CA C 22 45.209 45.209 45.000 0.209 25554 3143 1 4 . 1 1 22 22 GLY H H 22 6.772 6.772 8.415 -1.643 25554 3144 1 4 . 1 1 23 23 LYS N N 23 124.056 124.056 121.391 2.665 25554 3145 1 4 . 1 1 23 23 LYS C C 23 176.566 176.566 177.988 -1.422 25554 3146 1 4 . 1 1 23 23 LYS CA C 23 56.921 56.921 60.199 -3.278 25554 3147 1 4 . 1 1 23 23 LYS CB C 23 35.839 35.839 32.254 3.585 25554 3148 1 4 . 1 1 23 23 LYS H H 23 8.180 8.180 8.455 -0.275 25554 3149 1 4 . 1 1 24 24 THR N N 24 114.627 114.627 113.853 0.774 25554 3150 1 4 . 1 1 24 24 THR C C 24 178.324 178.324 176.806 1.518 25554 3151 1 4 . 1 1 24 24 THR CA C 24 62.192 62.192 66.651 -4.459 25554 3152 1 4 . 1 1 24 24 THR CB C 24 71.562 71.562 68.671 2.891 25554 3153 1 4 . 1 1 24 24 THR H H 24 8.469 8.469 8.423 0.046 25554 3154 1 4 . 1 1 25 25 THR N N 25 110.377 110.377 115.143 -4.766 25554 3155 1 4 . 1 1 25 25 THR C C 25 178.324 178.324 176.147 2.177 25554 3156 1 4 . 1 1 25 25 THR CA C 25 64.534 64.534 65.682 -1.148 25554 3157 1 4 . 1 1 25 25 THR CB C 25 71.562 71.562 68.486 3.076 25554 3158 1 4 . 1 1 25 25 THR H H 25 8.415 8.415 8.060 0.355 25554 3159 1 4 . 1 1 26 26 PHE N N 26 114.295 114.295 123.252 -8.957 25554 3160 1 4 . 1 1 26 26 PHE C C 26 174.514 174.514 177.369 -2.855 25554 3161 1 4 . 1 1 26 26 PHE CA C 26 53.407 53.407 61.806 -8.399 25554 3162 1 4 . 1 1 26 26 PHE CB C 26 40.524 40.524 39.273 1.251 25554 3163 1 4 . 1 1 26 26 PHE H H 26 7.707 7.707 8.158 -0.451 25554 3164 1 4 . 1 1 27 27 VAL N N 27 123.525 123.525 117.971 5.554 25554 3165 1 4 . 1 1 27 27 VAL C C 27 178.031 178.031 178.069 -0.038 25554 3166 1 4 . 1 1 27 27 VAL CA C 27 67.462 67.462 66.000 1.462 25554 3167 1 4 . 1 1 27 27 VAL CB C 27 29.397 29.397 31.474 -2.077 25554 3168 1 4 . 1 1 27 27 VAL H H 27 6.987 6.987 8.286 -1.299 25554 3169 1 4 . 1 1 28 28 LYS N N 28 114.228 114.228 119.766 -5.538 25554 3170 1 4 . 1 1 28 28 LYS C C 28 176.566 176.566 178.348 -1.782 25554 3171 1 4 . 1 1 28 28 LYS CA C 28 58.092 58.092 58.902 -0.810 25554 3172 1 4 . 1 1 28 28 LYS CB C 28 34.082 34.082 32.139 1.943 25554 3173 1 4 . 1 1 28 28 LYS H H 28 7.429 7.429 7.984 -0.555 25554 3174 1 4 . 1 1 29 29 ARG N N 29 112.037 112.037 115.785 -3.748 25554 3175 1 4 . 1 1 29 29 ARG C C 29 174.221 174.221 176.867 -2.646 25554 3176 1 4 . 1 1 29 29 ARG CA C 29 72.147 72.147 57.602 14.545 25554 3177 1 4 . 1 1 29 29 ARG CB C 29 37.596 37.596 29.688 7.908 25554 3178 1 4 . 1 1 29 29 ARG H H 29 6.803 6.803 7.431 -0.628 25554 3179 1 4 . 1 1 30 30 HIS N N 30 122.396 122.396 119.991 2.405 25554 3180 1 4 . 1 1 30 30 HIS C C 30 172.170 172.170 176.199 -4.029 25554 3181 1 4 . 1 1 30 30 HIS CA C 30 51.651 51.651 56.183 -4.532 25554 3182 1 4 . 1 1 30 30 HIS CB C 30 30.568 30.568 29.391 1.177 25554 3183 1 4 . 1 1 30 30 HIS H H 30 7.644 7.644 7.310 0.334 25554 3184 1 4 . 1 1 31 31 LEU N N 31 110.377 110.377 127.616 -17.239 25554 3185 1 4 . 1 1 31 31 LEU C C 31 178.031 178.031 178.631 -0.600 25554 3186 1 4 . 1 1 31 31 LEU CA C 31 55.164 55.164 57.777 -2.613 25554 3187 1 4 . 1 1 31 31 LEU CB C 31 42.281 42.281 41.927 0.354 25554 3188 1 4 . 1 1 31 31 LEU H H 31 7.894 7.894 8.396 -0.502 25554 3189 1 4 . 1 1 32 32 THR N N 32 118.213 118.213 114.586 3.627 25554 3190 1 4 . 1 1 32 32 THR C C 32 178.910 178.910 176.730 2.180 25554 3191 1 4 . 1 1 32 32 THR CA C 32 63.949 63.949 67.065 -3.116 25554 3192 1 4 . 1 1 32 32 THR CB C 32 72.733 72.733 68.519 4.213 25554 3193 1 4 . 1 1 32 32 THR H H 32 7.570 7.570 8.160 -0.590 25554 3194 1 4 . 1 1 33 33 GLY N N 33 127.841 127.841 109.811 18.030 25554 3195 1 4 . 1 1 33 33 GLY C C 33 161.914 161.914 176.180 -14.266 25554 3196 1 4 . 1 1 33 33 GLY CA C 33 42.866 42.866 46.964 -4.098 25554 3197 1 4 . 1 1 33 33 GLY H H 33 9.662 9.662 8.487 1.175 25554 3198 1 4 . 1 1 34 34 GLU N N 34 122.263 122.263 121.871 0.392 25554 3199 1 4 . 1 1 34 34 GLU C C 34 176.859 176.859 179.453 -2.594 25554 3200 1 4 . 1 1 34 34 GLU CA C 34 51.651 51.651 58.528 -6.877 25554 3201 1 4 . 1 1 34 34 GLU CB C 34 29.397 29.397 29.151 0.246 25554 3202 1 4 . 1 1 34 34 GLU H H 34 7.140 7.140 7.657 -0.517 25554 3203 1 4 . 1 1 35 35 PHE N N 35 111.838 111.838 118.063 -6.225 25554 3204 1 4 . 1 1 35 35 PHE C C 35 174.221 174.221 177.833 -3.612 25554 3205 1 4 . 1 1 35 35 PHE CA C 35 49.308 49.308 59.341 -10.033 25554 3206 1 4 . 1 1 35 35 PHE CB C 35 41.695 41.695 39.067 2.628 25554 3207 1 4 . 1 1 35 35 PHE H H 35 6.772 6.772 7.631 -0.859 25554 3208 1 4 . 1 1 36 36 GLU N N 36 124.388 124.388 118.677 5.711 25554 3209 1 4 . 1 1 36 36 GLU C C 36 176.859 176.859 174.688 2.171 25554 3210 1 4 . 1 1 36 36 GLU CA C 36 58.092 58.092 55.582 2.510 25554 3211 1 4 . 1 1 36 36 GLU CB C 36 30.568 30.568 28.926 1.642 25554 3212 1 4 . 1 1 36 36 GLU H H 36 7.734 7.734 8.251 -0.517 25554 3213 1 4 . 1 1 37 37 LYS N N 37 118.810 118.810 117.751 1.059 25554 3214 1 4 . 1 1 37 37 LYS C C 37 172.756 172.756 175.895 -3.139 25554 3215 1 4 . 1 1 37 37 LYS CA C 37 48.137 48.137 54.399 -6.262 25554 3216 1 4 . 1 1 37 37 LYS CB C 37 37.010 37.010 34.727 2.283 25554 3217 1 4 . 1 1 37 37 LYS H H 37 8.509 8.509 7.362 1.147 25554 3218 1 4 . 1 1 38 38 LYS N N 38 108.052 108.052 121.530 -13.478 25554 3219 1 4 . 1 1 38 38 LYS C C 38 176.273 176.273 174.297 1.976 25554 3220 1 4 . 1 1 38 38 LYS CA C 38 59.849 59.849 55.026 4.823 25554 3221 1 4 . 1 1 38 38 LYS CB C 38 34.668 34.668 35.792 -1.124 25554 3222 1 4 . 1 1 38 38 LYS H H 38 7.715 7.715 8.671 -0.956 25554 3223 1 4 . 1 1 39 39 TYR N N 39 108.650 108.650 124.497 -15.847 25554 3224 1 4 . 1 1 39 39 TYR C C 39 175.686 175.686 174.841 0.845 25554 3225 1 4 . 1 1 39 39 TYR CA C 39 61.020 61.020 57.472 3.548 25554 3226 1 4 . 1 1 39 39 TYR CB C 39 36.424 36.424 40.105 -3.680 25554 3227 1 4 . 1 1 39 39 TYR H H 39 7.362 7.362 8.595 -1.233 25554 3228 1 4 . 1 1 40 40 VAL N N 40 117.947 117.947 128.391 -10.444 25554 3229 1 4 . 1 1 40 40 VAL C C 40 175.393 175.393 175.131 0.262 25554 3230 1 4 . 1 1 40 40 VAL CA C 40 61.020 61.020 60.921 0.099 25554 3231 1 4 . 1 1 40 40 VAL CB C 40 31.154 31.154 32.822 -1.668 25554 3232 1 4 . 1 1 40 40 VAL H H 40 8.442 8.442 8.245 0.197 25554 3233 1 4 . 1 1 42 42 THR N N 42 117.150 117.150 113.213 3.937 25554 3234 1 4 . 1 1 42 42 THR C C 42 178.910 178.910 175.795 3.115 25554 3235 1 4 . 1 1 42 42 THR CA C 42 60.435 60.435 64.313 -3.878 25554 3236 1 4 . 1 1 42 42 THR CB C 42 70.390 70.390 68.614 1.776 25554 3237 1 4 . 1 1 42 42 THR H H 42 8.192 8.192 8.253 -0.061 25554 3238 1 4 . 1 1 43 43 LEU N N 43 119.209 119.209 119.832 -0.623 25554 3239 1 4 . 1 1 43 43 LEU C C 43 174.807 174.807 177.576 -2.769 25554 3240 1 4 . 1 1 43 43 LEU CA C 43 57.507 57.507 55.455 2.052 25554 3241 1 4 . 1 1 43 43 LEU CB C 43 42.866 42.866 42.192 0.674 25554 3242 1 4 . 1 1 43 43 LEU H H 43 9.260 9.260 7.803 1.457 25554 3243 1 4 . 1 1 44 44 GLY N N 44 114.361 114.361 106.609 7.752 25554 3244 1 4 . 1 1 44 44 GLY C C 44 178.910 178.910 173.421 5.489 25554 3245 1 4 . 1 1 44 44 GLY CA C 44 54.579 54.579 45.717 8.862 25554 3246 1 4 . 1 1 44 44 GLY H H 44 6.979 6.979 7.692 -0.713 25554 3247 1 4 . 1 1 45 45 VAL N N 45 110.244 110.244 118.234 -7.990 25554 3248 1 4 . 1 1 45 45 VAL C C 45 174.807 174.807 174.295 0.512 25554 3249 1 4 . 1 1 45 45 VAL CA C 45 63.363 63.363 60.384 2.979 25554 3250 1 4 . 1 1 45 45 VAL CB C 45 17.099 17.099 35.379 -18.280 25554 3251 1 4 . 1 1 45 45 VAL H H 45 8.309 8.309 7.300 1.009 25554 3252 1 4 . 1 1 46 46 GLU N N 46 130.365 130.365 126.871 3.494 25554 3253 1 4 . 1 1 46 46 GLU C C 46 176.859 176.859 175.517 1.342 25554 3254 1 4 . 1 1 46 46 GLU CA C 46 55.164 55.164 55.192 -0.028 25554 3255 1 4 . 1 1 46 46 GLU CB C 46 32.325 32.325 31.698 0.627 25554 3256 1 4 . 1 1 46 46 GLU H H 46 9.741 9.741 8.655 1.086 25554 3257 1 4 . 1 1 47 47 VAL N N 47 115.623 115.623 125.390 -9.767 25554 3258 1 4 . 1 1 47 47 VAL C C 47 178.324 178.324 174.795 3.529 25554 3259 1 4 . 1 1 47 47 VAL CA C 47 63.363 63.363 60.650 2.713 25554 3260 1 4 . 1 1 47 47 VAL CB C 47 32.911 32.911 32.701 0.210 25554 3261 1 4 . 1 1 47 47 VAL H H 47 7.339 7.339 8.460 -1.121 25554 3262 1 4 . 1 1 48 48 HIS N N 48 129.236 129.236 127.332 1.904 25554 3263 1 4 . 1 1 48 48 HIS C C 48 169.240 169.240 173.236 -3.996 25554 3264 1 4 . 1 1 48 48 HIS CA C 48 49.894 49.894 53.780 -3.886 25554 3265 1 4 . 1 1 48 48 HIS CB C 48 27.640 27.640 30.868 -3.228 25554 3266 1 4 . 1 1 48 48 HIS H H 48 10.390 10.390 9.252 1.138 25554 3267 1 4 . 1 1 49 49 PRO C C 49 176.273 176.273 175.558 0.715 25554 3268 1 4 . 1 1 49 49 PRO CA C 49 62.500 62.500 63.233 -0.733 25554 3269 1 4 . 1 1 49 49 PRO CB C 49 29.974 29.974 32.043 -2.069 25554 3270 1 4 . 1 1 50 50 LEU N N 50 119.408 119.408 127.656 -8.248 25554 3271 1 4 . 1 1 50 50 LEU C C 50 177.445 177.445 175.273 2.172 25554 3272 1 4 . 1 1 50 50 LEU CA C 50 59.264 59.264 53.620 5.644 25554 3273 1 4 . 1 1 50 50 LEU CB C 50 42.281 42.281 43.187 -0.906 25554 3274 1 4 . 1 1 50 50 LEU H H 50 7.492 7.492 9.063 -1.571 25554 3275 1 4 . 1 1 51 51 VAL N N 51 117.947 117.947 122.842 -4.895 25554 3276 1 4 . 1 1 51 51 VAL C C 51 174.514 174.514 174.703 -0.189 25554 3277 1 4 . 1 1 51 51 VAL CA C 51 64.534 64.534 61.694 2.840 25554 3278 1 4 . 1 1 51 51 VAL CB C 51 37.010 37.010 33.107 3.903 25554 3279 1 4 . 1 1 51 51 VAL H H 51 7.715 7.715 8.204 -0.489 25554 3280 1 4 . 1 1 52 52 PHE N N 52 124.853 124.853 126.668 -1.815 25554 3281 1 4 . 1 1 52 52 PHE C C 52 175.100 175.100 173.960 1.140 25554 3282 1 4 . 1 1 52 52 PHE CA C 52 56.336 56.336 56.503 -0.167 25554 3283 1 4 . 1 1 52 52 PHE CB C 52 39.938 39.938 42.348 -2.410 25554 3284 1 4 . 1 1 52 52 PHE H H 52 8.935 8.935 9.092 -0.157 25554 3285 1 4 . 1 1 53 53 HIS N N 53 120.603 120.603 122.415 -1.812 25554 3286 1 4 . 1 1 53 53 HIS C C 53 170.119 170.119 175.208 -5.089 25554 3287 1 4 . 1 1 53 53 HIS CA C 53 55.164 55.164 55.423 -0.259 25554 3288 1 4 . 1 1 53 53 HIS CB C 53 30.568 30.568 31.596 -1.028 25554 3289 1 4 . 1 1 53 53 HIS H H 53 8.356 8.356 8.403 -0.047 25554 3290 1 4 . 1 1 54 54 THR N N 54 112.634 112.634 117.027 -4.393 25554 3291 1 4 . 1 1 54 54 THR C C 54 178.910 178.910 176.052 2.858 25554 3292 1 4 . 1 1 54 54 THR CA C 54 63.363 63.363 59.574 3.789 25554 3293 1 4 . 1 1 54 54 THR CB C 54 72.733 72.733 71.693 1.040 25554 3294 1 4 . 1 1 54 54 THR H H 54 7.574 7.574 8.875 -1.301 25554 3295 1 4 . 1 1 55 55 ASN N N 55 131.095 131.095 120.508 10.587 25554 3296 1 4 . 1 1 55 55 ASN C C 55 176.273 176.273 176.722 -0.449 25554 3297 1 4 . 1 1 55 55 ASN CA C 55 51.065 51.065 56.063 -4.998 25554 3298 1 4 . 1 1 55 55 ASN CB C 55 37.010 37.010 38.522 -1.512 25554 3299 1 4 . 1 1 55 55 ASN H H 55 10.187 10.187 8.922 1.265 25554 3300 1 4 . 1 1 56 56 ARG N N 56 122.064 122.064 118.873 3.191 25554 3301 1 4 . 1 1 56 56 ARG C C 56 175.100 175.100 175.661 -0.561 25554 3302 1 4 . 1 1 56 56 ARG CA C 56 61.606 61.606 55.733 5.873 25554 3303 1 4 . 1 1 56 56 ARG CB C 56 32.911 32.911 30.757 2.154 25554 3304 1 4 . 1 1 56 56 ARG H H 56 7.433 7.433 7.727 -0.294 25554 3305 1 4 . 1 1 57 57 GLY N N 57 127.709 127.709 106.656 21.053 25554 3306 1 4 . 1 1 57 57 GLY C C 57 175.979 175.979 171.391 4.588 25554 3307 1 4 . 1 1 57 57 GLY CA C 57 42.281 42.281 44.474 -2.193 25554 3308 1 4 . 1 1 57 57 GLY H H 57 9.373 9.373 7.929 1.444 25554 3309 1 4 . 1 1 58 58 PRO C C 58 177.152 177.152 175.635 1.517 25554 3310 1 4 . 1 1 58 58 PRO CA C 58 65.137 65.137 62.368 2.769 25554 3311 1 4 . 1 1 58 58 PRO CB C 58 29.095 29.095 32.897 -3.802 25554 3312 1 4 . 1 1 59 59 ILE N N 59 128.638 128.638 121.417 7.221 25554 3313 1 4 . 1 1 59 59 ILE C C 59 175.979 175.979 174.295 1.684 25554 3314 1 4 . 1 1 59 59 ILE CA C 59 65.120 65.120 60.358 4.762 25554 3315 1 4 . 1 1 59 59 ILE CB C 59 40.524 40.524 41.643 -1.119 25554 3316 1 4 . 1 1 59 59 ILE H H 59 8.794 8.794 8.730 0.064 25554 3317 1 4 . 1 1 60 60 LYS N N 60 115.756 115.756 127.370 -11.614 25554 3318 1 4 . 1 1 60 60 LYS C C 60 175.979 175.979 174.810 1.169 25554 3319 1 4 . 1 1 60 60 LYS CA C 60 56.921 56.921 54.098 2.823 25554 3320 1 4 . 1 1 60 60 LYS CB C 60 32.325 32.325 35.983 -3.658 25554 3321 1 4 . 1 1 60 60 LYS H H 60 7.253 7.253 8.942 -1.689 25554 3322 1 4 . 1 1 61 61 PHE N N 61 120.670 120.670 125.759 -5.089 25554 3323 1 4 . 1 1 61 61 PHE C C 61 175.393 175.393 175.283 0.110 25554 3324 1 4 . 1 1 61 61 PHE CA C 61 57.507 57.507 56.401 1.106 25554 3325 1 4 . 1 1 61 61 PHE CB C 61 41.109 41.109 41.109 0.000 25554 3326 1 4 . 1 1 61 61 PHE H H 61 7.515 7.515 9.426 -1.911 25554 3327 1 4 . 1 1 62 62 ASN N N 62 119.076 119.076 124.167 -5.091 25554 3328 1 4 . 1 1 62 62 ASN C C 62 175.100 175.100 174.747 0.353 25554 3329 1 4 . 1 1 62 62 ASN CA C 62 53.407 53.407 52.678 0.729 25554 3330 1 4 . 1 1 62 62 ASN CB C 62 38.767 38.767 38.399 0.368 25554 3331 1 4 . 1 1 62 62 ASN H H 62 7.558 7.558 9.129 -1.571 25554 3332 1 4 . 1 1 63 63 VAL N N 63 106.127 106.127 124.253 -18.126 25554 3333 1 4 . 1 1 63 63 VAL C C 63 175.100 175.100 175.417 -0.317 25554 3334 1 4 . 1 1 63 63 VAL CA C 63 61.020 61.020 62.821 -1.801 25554 3335 1 4 . 1 1 63 63 VAL CB C 63 31.154 31.154 32.333 -1.179 25554 3336 1 4 . 1 1 63 63 VAL H H 63 8.113 8.113 8.998 -0.885 25554 3337 1 4 . 1 1 64 64 TRP N N 64 129.302 129.302 130.423 -1.121 25554 3338 1 4 . 1 1 64 64 TRP C C 64 177.152 177.152 175.499 1.653 25554 3339 1 4 . 1 1 64 64 TRP CA C 64 59.264 59.264 56.442 2.822 25554 3340 1 4 . 1 1 64 64 TRP CB C 64 29.397 29.397 29.245 0.152 25554 3341 1 4 . 1 1 64 64 TRP H H 64 8.970 8.970 9.665 -0.695 25554 3342 1 4 . 1 1 65 65 ASP N N 65 119.607 119.607 125.164 -5.557 25554 3343 1 4 . 1 1 65 65 ASP C C 65 174.514 174.514 176.127 -1.613 25554 3344 1 4 . 1 1 65 65 ASP CA C 65 55.164 55.164 52.681 2.483 25554 3345 1 4 . 1 1 65 65 ASP CB C 65 41.109 41.109 43.960 -2.851 25554 3346 1 4 . 1 1 65 65 ASP H H 65 8.638 8.638 9.144 -0.506 25554 3347 1 4 . 1 1 66 66 THR N N 66 122.463 122.463 122.479 -0.016 25554 3348 1 4 . 1 1 66 66 THR C C 66 178.617 178.617 175.127 3.490 25554 3349 1 4 . 1 1 66 66 THR CA C 66 68.048 68.048 64.791 3.257 25554 3350 1 4 . 1 1 66 66 THR CB C 66 71.562 71.562 69.189 2.373 25554 3351 1 4 . 1 1 66 66 THR H H 66 8.293 8.293 8.713 -0.420 25554 3352 1 4 . 1 1 67 67 ALA N N 67 104.865 104.865 131.153 -26.288 25554 3353 1 4 . 1 1 67 67 ALA C C 67 177.738 177.738 177.222 0.516 25554 3354 1 4 . 1 1 67 67 ALA CA C 67 48.722 48.722 51.216 -2.494 25554 3355 1 4 . 1 1 67 67 ALA CB C 67 14.171 14.171 17.416 -3.245 25554 3356 1 4 . 1 1 67 67 ALA H H 67 8.657 8.657 8.235 0.422 25554 3357 1 4 . 1 1 68 68 GLY N N 68 115.357 115.357 110.066 5.291 25554 3358 1 4 . 1 1 68 68 GLY C C 68 189.533 189.533 176.004 13.529 25554 3359 1 4 . 1 1 68 68 GLY CA C 68 45.209 45.209 46.028 -0.819 25554 3360 1 4 . 1 1 68 68 GLY H H 68 10.969 10.969 8.125 2.844 25554 3361 1 4 . 1 1 69 69 GLN N N 69 110.111 110.111 118.791 -8.680 25554 3362 1 4 . 1 1 69 69 GLN C C 69 176.859 176.859 177.650 -0.791 25554 3363 1 4 . 1 1 69 69 GLN CA C 69 55.750 55.750 59.271 -3.521 25554 3364 1 4 . 1 1 69 69 GLN CB C 69 27.640 27.640 28.431 -0.791 25554 3365 1 4 . 1 1 69 69 GLN H H 69 8.344 8.344 8.638 -0.294 25554 3366 1 4 . 1 1 70 70 GLU N N 70 114.826 114.826 117.974 -3.148 25554 3367 1 4 . 1 1 70 70 GLU C C 70 176.273 176.273 177.748 -1.475 25554 3368 1 4 . 1 1 70 70 GLU CA C 70 57.507 57.507 58.850 -1.343 25554 3369 1 4 . 1 1 70 70 GLU CB C 70 28.811 28.811 29.465 -0.654 25554 3370 1 4 . 1 1 70 70 GLU H H 70 9.651 9.651 8.708 0.943 25554 3371 1 4 . 1 1 71 71 LYS N N 71 116.685 116.685 116.832 -0.147 25554 3372 1 4 . 1 1 71 71 LYS C C 71 175.979 175.979 178.617 -2.638 25554 3373 1 4 . 1 1 71 71 LYS CA C 71 48.722 48.722 58.274 -9.552 25554 3374 1 4 . 1 1 71 71 LYS CB C 71 37.010 37.010 32.458 4.552 25554 3375 1 4 . 1 1 71 71 LYS H H 71 8.712 8.712 7.704 1.008 25554 3376 1 4 . 1 1 72 72 PHE N N 72 114.959 114.959 117.070 -2.111 25554 3377 1 4 . 1 1 72 72 PHE C C 72 175.686 175.686 176.647 -0.961 25554 3378 1 4 . 1 1 72 72 PHE CA C 72 56.336 56.336 59.676 -3.340 25554 3379 1 4 . 1 1 72 72 PHE CB C 72 36.424 36.424 39.889 -3.465 25554 3380 1 4 . 1 1 72 72 PHE H H 72 7.965 7.965 7.646 0.319 25554 3381 1 4 . 1 1 73 73 GLY N N 73 117.084 117.084 103.767 13.317 25554 3382 1 4 . 1 1 73 73 GLY C C 73 168.068 168.068 172.310 -4.242 25554 3383 1 4 . 1 1 73 73 GLY CA C 73 42.281 42.281 44.843 -2.562 25554 3384 1 4 . 1 1 73 73 GLY H H 73 7.609 7.609 8.018 -0.409 25554 3385 1 4 . 1 1 74 74 GLY N N 74 120.537 120.537 106.409 14.128 25554 3386 1 4 . 1 1 74 74 GLY C C 74 174.514 174.514 174.773 -0.259 25554 3387 1 4 . 1 1 74 74 GLY CA C 74 44.037 44.037 44.556 -0.519 25554 3388 1 4 . 1 1 74 74 GLY H H 74 9.326 9.326 8.250 1.076 25554 3389 1 4 . 1 1 75 75 LEU N N 75 127.177 127.177 122.062 5.115 25554 3390 1 4 . 1 1 75 75 LEU C C 75 178.617 178.617 177.349 1.268 25554 3391 1 4 . 1 1 75 75 LEU CA C 75 53.407 53.407 54.781 -1.374 25554 3392 1 4 . 1 1 75 75 LEU CB C 75 42.281 42.281 42.038 0.243 25554 3393 1 4 . 1 1 75 75 LEU H H 75 7.628 7.628 8.652 -1.024 25554 3394 1 4 . 1 1 76 76 ARG N N 76 116.486 116.486 122.274 -5.788 25554 3395 1 4 . 1 1 76 76 ARG C C 76 176.859 176.859 177.192 -0.333 25554 3396 1 4 . 1 1 76 76 ARG CA C 76 59.264 59.264 56.084 3.180 25554 3397 1 4 . 1 1 76 76 ARG CB C 76 31.154 31.154 31.087 0.067 25554 3398 1 4 . 1 1 76 76 ARG H H 76 7.143 7.143 8.508 -1.365 25554 3399 1 4 . 1 1 77 77 ASP N N 77 129.236 129.236 121.689 7.547 25554 3400 1 4 . 1 1 77 77 ASP C C 77 177.152 177.152 178.410 -1.258 25554 3401 1 4 . 1 1 77 77 ASP CA C 77 52.822 52.822 57.864 -5.042 25554 3402 1 4 . 1 1 77 77 ASP CB C 77 41.695 41.695 40.457 1.238 25554 3403 1 4 . 1 1 77 77 ASP H H 77 8.947 8.947 8.843 0.104 25554 3404 1 4 . 1 1 78 78 GLY N N 78 127.244 127.244 107.411 19.833 25554 3405 1 4 . 1 1 78 78 GLY C C 78 173.928 173.928 175.053 -1.125 25554 3406 1 4 . 1 1 78 78 GLY CA C 78 44.623 44.623 46.952 -2.329 25554 3407 1 4 . 1 1 78 78 GLY H H 78 8.219 8.219 8.431 -0.212 25554 3408 1 4 . 1 1 79 79 TYR N N 79 120.537 120.537 120.824 -0.287 25554 3409 1 4 . 1 1 79 79 TYR C C 79 176.273 176.273 176.336 -0.063 25554 3410 1 4 . 1 1 79 79 TYR CA C 79 58.678 58.678 60.848 -2.170 25554 3411 1 4 . 1 1 79 79 TYR CB C 79 40.524 40.524 38.568 1.956 25554 3412 1 4 . 1 1 79 79 TYR H H 79 8.563 8.563 7.308 1.255 25554 3413 1 4 . 1 1 80 80 TYR N N 80 115.822 115.822 115.094 0.728 25554 3414 1 4 . 1 1 80 80 TYR C C 80 175.979 175.979 176.827 -0.848 25554 3415 1 4 . 1 1 80 80 TYR CA C 80 58.092 58.092 59.552 -1.460 25554 3416 1 4 . 1 1 80 80 TYR CB C 80 38.181 38.181 38.486 -0.305 25554 3417 1 4 . 1 1 80 80 TYR H H 80 7.194 7.194 7.312 -0.118 25554 3418 1 4 . 1 1 81 81 ILE N N 81 120.072 120.072 118.797 1.275 25554 3419 1 4 . 1 1 81 81 ILE C C 81 177.445 177.445 175.837 1.608 25554 3420 1 4 . 1 1 81 81 ILE CA C 81 67.462 67.462 63.386 4.076 25554 3421 1 4 . 1 1 81 81 ILE CB C 81 41.109 41.109 37.966 3.143 25554 3422 1 4 . 1 1 81 81 ILE H H 81 8.837 8.837 8.082 0.755 25554 3423 1 4 . 1 1 82 82 GLN N N 82 109.580 109.580 118.676 -9.096 25554 3424 1 4 . 1 1 82 82 GLN C C 82 177.152 177.152 174.383 2.769 25554 3425 1 4 . 1 1 82 82 GLN CA C 82 56.336 56.336 56.560 -0.224 25554 3426 1 4 . 1 1 82 82 GLN CB C 82 24.126 24.126 26.336 -2.210 25554 3427 1 4 . 1 1 82 82 GLN H H 82 8.493 8.493 8.645 -0.152 25554 3428 1 4 . 1 1 83 83 ALA N N 83 109.713 109.713 121.151 -11.438 25554 3429 1 4 . 1 1 83 83 ALA C C 83 175.979 175.979 176.470 -0.491 25554 3430 1 4 . 1 1 83 83 ALA CA C 83 54.579 54.579 51.405 3.174 25554 3431 1 4 . 1 1 83 83 ALA CB C 83 16.513 16.513 19.347 -2.834 25554 3432 1 4 . 1 1 83 83 ALA H H 83 6.306 6.306 7.573 -1.267 25554 3433 1 4 . 1 1 84 84 GLN N N 84 131.380 131.380 122.010 9.370 25554 3434 1 4 . 1 1 84 84 GLN C C 84 175.686 175.686 175.959 -0.273 25554 3435 1 4 . 1 1 84 84 GLN CA C 84 51.065 51.065 58.171 -7.106 25554 3436 1 4 . 1 1 84 84 GLN CB C 84 32.325 32.325 29.804 2.521 25554 3437 1 4 . 1 1 84 84 GLN H H 84 11.169 11.169 8.825 2.344 25554 3438 1 4 . 1 1 85 85 CYS N N 85 124.322 124.322 112.314 12.008 25554 3439 1 4 . 1 1 85 85 CYS C C 85 173.049 173.049 172.903 0.146 25554 3440 1 4 . 1 1 85 85 CYS CA C 85 57.507 57.507 55.547 1.960 25554 3441 1 4 . 1 1 85 85 CYS CB C 85 35.253 35.253 31.557 3.696 25554 3442 1 4 . 1 1 85 85 CYS H H 85 8.602 8.602 7.975 0.627 25554 3443 1 4 . 1 1 86 86 ALA N N 86 114.295 114.295 123.201 -8.906 25554 3444 1 4 . 1 1 86 86 ALA CA C 86 57.507 57.507 50.393 7.114 25554 3445 1 4 . 1 1 86 86 ALA CB C 86 21.784 21.784 22.771 -0.987 25554 3446 1 4 . 1 1 86 86 ALA H H 86 6.897 6.897 9.207 -2.310 25554 3447 1 4 . 1 1 87 87 ILE N N 87 120.670 120.670 119.950 0.720 25554 3448 1 4 . 1 1 87 87 ILE C C 87 173.928 173.928 174.595 -0.667 25554 3449 1 4 . 1 1 87 87 ILE CA C 87 61.020 61.020 59.997 1.023 25554 3450 1 4 . 1 1 87 87 ILE CB C 87 39.938 39.938 41.491 -1.553 25554 3451 1 4 . 1 1 87 87 ILE H H 87 8.282 8.282 8.597 -0.315 25554 3452 1 4 . 1 1 88 88 ILE N N 88 120.205 120.205 127.705 -7.500 25554 3453 1 4 . 1 1 88 88 ILE C C 88 173.635 173.635 175.049 -1.414 25554 3454 1 4 . 1 1 88 88 ILE CA C 88 64.534 64.534 59.865 4.669 25554 3455 1 4 . 1 1 88 88 ILE CB C 88 37.596 37.596 40.503 -2.907 25554 3456 1 4 . 1 1 88 88 ILE H H 88 5.528 5.528 8.962 -3.434 25554 3457 1 4 . 1 1 89 89 MET N N 89 119.209 119.209 126.720 -7.511 25554 3458 1 4 . 1 1 89 89 MET C C 89 176.566 176.566 175.171 1.395 25554 3459 1 4 . 1 1 89 89 MET CA C 89 56.921 56.921 52.840 4.081 25554 3460 1 4 . 1 1 89 89 MET CB C 89 34.668 34.668 33.395 1.272 25554 3461 1 4 . 1 1 89 89 MET H H 89 8.164 8.164 8.834 -0.670 25554 3462 1 4 . 1 1 90 90 PHE N N 90 121.134 121.134 118.813 2.321 25554 3463 1 4 . 1 1 90 90 PHE C C 90 175.393 175.393 173.353 2.040 25554 3464 1 4 . 1 1 90 90 PHE CA C 90 60.435 60.435 55.504 4.931 25554 3465 1 4 . 1 1 90 90 PHE CB C 90 38.767 38.767 42.476 -3.709 25554 3466 1 4 . 1 1 90 90 PHE H H 90 9.334 9.334 8.781 0.553 25554 3467 1 4 . 1 1 91 91 ASP N N 91 125.185 125.185 123.006 2.179 25554 3468 1 4 . 1 1 91 91 ASP C C 91 176.566 176.566 178.302 -1.736 25554 3469 1 4 . 1 1 91 91 ASP CA C 91 52.822 52.822 53.361 -0.539 25554 3470 1 4 . 1 1 91 91 ASP CB C 91 39.938 39.938 41.415 -1.477 25554 3471 1 4 . 1 1 91 91 ASP H H 91 9.056 9.056 8.789 0.267 25554 3472 1 4 . 1 1 92 92 VAL N N 92 115.158 115.158 123.831 -8.673 25554 3473 1 4 . 1 1 92 92 VAL C C 92 173.342 173.342 177.206 -3.864 25554 3474 1 4 . 1 1 92 92 VAL CA C 92 64.534 64.534 65.367 -0.833 25554 3475 1 4 . 1 1 92 92 VAL CB C 92 37.596 37.596 31.198 6.398 25554 3476 1 4 . 1 1 92 92 VAL H H 92 7.738 7.738 8.575 -0.837 25554 3477 1 4 . 1 1 93 93 THR N N 93 112.302 112.302 108.667 3.635 25554 3478 1 4 . 1 1 93 93 THR C C 93 177.152 177.152 173.991 3.161 25554 3479 1 4 . 1 1 93 93 THR CA C 93 64.534 64.534 62.630 1.904 25554 3480 1 4 . 1 1 93 93 THR CB C 93 72.147 72.147 68.825 3.322 25554 3481 1 4 . 1 1 93 93 THR H H 93 7.269 7.269 8.758 -1.489 25554 3482 1 4 . 1 1 94 94 SER N N 94 122.263 122.263 115.118 7.145 25554 3483 1 4 . 1 1 94 94 SER C C 94 163.965 163.965 175.520 -11.555 25554 3484 1 4 . 1 1 94 94 SER CA C 94 59.849 59.849 55.068 4.781 25554 3485 1 4 . 1 1 94 94 SER CB C 94 62.192 62.192 64.430 -2.238 25554 3486 1 4 . 1 1 94 94 SER H H 94 7.628 7.628 7.537 0.091 25554 3487 1 4 . 1 1 95 95 ARG N N 95 113.099 113.099 128.587 -15.488 25554 3488 1 4 . 1 1 95 95 ARG C C 95 176.273 176.273 177.902 -1.629 25554 3489 1 4 . 1 1 95 95 ARG CA C 95 53.407 53.407 59.164 -5.757 25554 3490 1 4 . 1 1 95 95 ARG CB C 95 31.154 31.154 30.092 1.062 25554 3491 1 4 . 1 1 95 95 ARG H H 95 8.102 8.102 9.110 -1.008 25554 3492 1 4 . 1 1 96 96 VAL N N 96 124.787 124.787 118.989 5.798 25554 3493 1 4 . 1 1 96 96 VAL C C 96 178.031 178.031 177.334 0.697 25554 3494 1 4 . 1 1 96 96 VAL CA C 96 68.634 68.634 66.078 2.556 25554 3495 1 4 . 1 1 96 96 VAL CB C 96 24.126 24.126 31.528 -7.402 25554 3496 1 4 . 1 1 96 96 VAL H H 96 9.146 9.146 7.880 1.266 25554 3497 1 4 . 1 1 97 97 THR N N 97 111.970 111.970 113.903 -1.933 25554 3498 1 4 . 1 1 97 97 THR C C 97 178.031 178.031 176.568 1.463 25554 3499 1 4 . 1 1 97 97 THR CA C 97 63.949 63.949 65.308 -1.359 25554 3500 1 4 . 1 1 97 97 THR CB C 97 70.390 70.390 68.966 1.424 25554 3501 1 4 . 1 1 97 97 THR H H 97 7.984 7.984 7.639 0.345 25554 3502 1 4 . 1 1 98 98 TYR N N 98 113.232 113.232 122.223 -8.991 25554 3503 1 4 . 1 1 98 98 TYR C C 98 176.273 176.273 177.153 -0.880 25554 3504 1 4 . 1 1 98 98 TYR H H 98 7.605 7.605 7.581 0.024 25554 3505 1 4 . 1 1 99 99 LYS N N 99 121.998 121.998 116.858 5.140 25554 3506 1 4 . 1 1 99 99 LYS C C 99 174.221 174.221 178.777 -4.556 25554 3507 1 4 . 1 1 99 99 LYS CA C 99 59.264 59.264 58.415 0.849 25554 3508 1 4 . 1 1 99 99 LYS CB C 99 34.668 34.668 32.225 2.443 25554 3509 1 4 . 1 1 99 99 LYS H H 99 8.129 8.129 7.726 0.403 25554 3510 1 4 . 1 1 100 100 ASN N N 100 111.970 111.970 118.264 -6.294 25554 3511 1 4 . 1 1 100 100 ASN C C 100 175.979 175.979 177.500 -1.521 25554 3512 1 4 . 1 1 100 100 ASN CA C 100 53.407 53.407 54.987 -1.580 25554 3513 1 4 . 1 1 100 100 ASN CB C 100 37.596 37.596 38.324 -0.728 25554 3514 1 4 . 1 1 100 100 ASN H H 100 5.778 5.778 8.144 -2.366 25554 3515 1 4 . 1 1 101 101 VAL N N 101 118.877 118.877 121.873 -2.996 25554 3516 1 4 . 1 1 101 101 VAL C C 101 173.635 173.635 174.768 -1.133 25554 3517 1 4 . 1 1 101 101 VAL CA C 101 62.777 62.777 68.815 -6.038 25554 3518 1 4 . 1 1 101 101 VAL CB C 101 27.054 27.054 29.387 -2.333 25554 3519 1 4 . 1 1 101 101 VAL H H 101 7.370 7.370 7.587 -0.217 25554 3520 1 4 . 1 1 102 102 PRO C C 102 176.566 176.566 178.553 -1.987 25554 3521 1 4 . 1 1 102 102 PRO CA C 102 62.500 62.500 66.516 -4.016 25554 3522 1 4 . 1 1 102 102 PRO CB C 102 30.853 30.853 30.941 -0.088 25554 3523 1 4 . 1 1 103 103 ASN N N 103 122.728 122.728 116.594 6.134 25554 3524 1 4 . 1 1 103 103 ASN C C 103 175.100 175.100 177.602 -2.502 25554 3525 1 4 . 1 1 103 103 ASN CA C 103 54.579 54.579 55.809 -1.230 25554 3526 1 4 . 1 1 103 103 ASN CB C 103 38.767 38.767 37.480 1.287 25554 3527 1 4 . 1 1 103 103 ASN H H 103 7.879 7.879 7.532 0.347 25554 3528 1 4 . 1 1 104 104 TRP N N 104 132.158 132.158 120.989 11.169 25554 3529 1 4 . 1 1 104 104 TRP C C 104 176.273 176.273 178.855 -2.582 25554 3530 1 4 . 1 1 104 104 TRP CA C 104 60.435 60.435 61.366 -0.931 25554 3531 1 4 . 1 1 104 104 TRP CB C 104 29.983 29.983 29.278 0.705 25554 3532 1 4 . 1 1 104 104 TRP H H 104 9.541 9.541 7.977 1.564 25554 3533 1 4 . 1 1 105 105 HIS N N 105 120.869 120.869 118.957 1.912 25554 3534 1 4 . 1 1 105 105 HIS C C 105 177.738 177.738 177.367 0.371 25554 3535 1 4 . 1 1 105 105 HIS H H 105 6.971 6.971 8.715 -1.744 25554 3536 1 4 . 1 1 106 106 ARG N N 106 126.314 126.314 119.038 7.276 25554 3537 1 4 . 1 1 106 106 ARG C C 106 176.566 176.566 178.410 -1.844 25554 3538 1 4 . 1 1 106 106 ARG CA C 106 62.777 62.777 59.792 2.985 25554 3539 1 4 . 1 1 106 106 ARG CB C 106 29.397 29.397 30.053 -0.656 25554 3540 1 4 . 1 1 106 106 ARG H H 106 7.507 7.507 8.219 -0.712 25554 3541 1 4 . 1 1 107 107 ASP N N 107 119.076 119.076 120.099 -1.023 25554 3542 1 4 . 1 1 107 107 ASP C C 107 176.566 176.566 178.623 -2.057 25554 3543 1 4 . 1 1 107 107 ASP CA C 107 55.164 55.164 57.213 -2.049 25554 3544 1 4 . 1 1 107 107 ASP CB C 107 41.695 41.695 40.436 1.259 25554 3545 1 4 . 1 1 107 107 ASP H H 107 9.076 9.076 7.939 1.137 25554 3546 1 4 . 1 1 108 108 LEU N N 108 113.299 113.299 121.335 -8.036 25554 3547 1 4 . 1 1 108 108 LEU C C 108 176.273 176.273 177.758 -1.485 25554 3548 1 4 . 1 1 108 108 LEU CA C 108 59.264 59.264 57.378 1.886 25554 3549 1 4 . 1 1 108 108 LEU CB C 108 48.722 48.722 41.790 6.932 25554 3550 1 4 . 1 1 108 108 LEU H H 108 6.725 6.725 8.109 -1.384 25554 3551 1 4 . 1 1 109 109 VAL N N 109 121.267 121.267 118.960 2.307 25554 3552 1 4 . 1 1 109 109 VAL C C 109 175.393 175.393 178.322 -2.929 25554 3553 1 4 . 1 1 109 109 VAL CA C 109 63.949 63.949 65.443 -1.494 25554 3554 1 4 . 1 1 109 109 VAL CB C 109 32.911 32.911 31.234 1.677 25554 3555 1 4 . 1 1 109 109 VAL H H 109 8.763 8.763 8.089 0.674 25554 3556 1 4 . 1 1 110 110 ARG N N 110 112.900 112.900 120.389 -7.489 25554 3557 1 4 . 1 1 110 110 ARG C C 110 176.273 176.273 178.025 -1.752 25554 3558 1 4 . 1 1 110 110 ARG CA C 110 57.507 57.507 59.345 -1.838 25554 3559 1 4 . 1 1 110 110 ARG CB C 110 30.568 30.568 30.222 0.346 25554 3560 1 4 . 1 1 110 110 ARG H H 110 7.241 7.241 7.777 -0.536 25554 3561 1 4 . 1 1 111 111 VAL N N 111 115.556 115.556 116.710 -1.154 25554 3562 1 4 . 1 1 111 111 VAL C C 111 177.445 177.445 176.224 1.221 25554 3563 1 4 . 1 1 111 111 VAL CA C 111 59.849 59.849 65.470 -5.621 25554 3564 1 4 . 1 1 111 111 VAL CB C 111 32.911 32.911 32.535 0.376 25554 3565 1 4 . 1 1 111 111 VAL H H 111 7.566 7.566 7.383 0.183 25554 3566 1 4 . 1 1 112 112 CYS N N 112 114.295 114.295 119.481 -5.186 25554 3567 1 4 . 1 1 112 112 CYS C C 112 169.826 169.826 172.980 -3.154 25554 3568 1 4 . 1 1 112 112 CYS CA C 112 57.507 57.507 58.307 -0.800 25554 3569 1 4 . 1 1 112 112 CYS CB C 112 35.839 35.839 29.939 5.900 25554 3570 1 4 . 1 1 112 112 CYS H H 112 7.425 7.425 8.054 -0.629 25554 3571 1 4 . 1 1 113 113 GLU N N 113 116.486 116.486 125.541 -9.055 25554 3572 1 4 . 1 1 113 113 GLU C C 113 176.566 176.566 175.702 0.864 25554 3573 1 4 . 1 1 113 113 GLU CA C 113 69.219 69.219 56.187 13.032 25554 3574 1 4 . 1 1 113 113 GLU CB C 113 30.568 30.568 30.939 -0.370 25554 3575 1 4 . 1 1 113 113 GLU H H 113 7.241 7.241 8.629 -1.387 25554 3576 1 4 . 1 1 114 114 ASN N N 114 129.302 129.302 117.027 12.275 25554 3577 1 4 . 1 1 114 114 ASN C C 114 175.100 175.100 174.929 0.171 25554 3578 1 4 . 1 1 114 114 ASN CA C 114 52.236 52.236 54.043 -1.807 25554 3579 1 4 . 1 1 114 114 ASN CB C 114 39.938 39.938 37.270 2.667 25554 3580 1 4 . 1 1 114 114 ASN H H 114 8.919 8.919 8.726 0.193 25554 3581 1 4 . 1 1 115 115 ILE N N 115 110.443 110.443 114.337 -3.894 25554 3582 1 4 . 1 1 115 115 ILE C C 115 175.100 175.100 174.829 0.271 25554 3583 1 4 . 1 1 115 115 ILE CA C 115 65.705 65.705 58.818 6.887 25554 3584 1 4 . 1 1 115 115 ILE CB C 115 39.353 39.353 38.330 1.023 25554 3585 1 4 . 1 1 115 115 ILE H H 115 9.287 9.287 7.622 1.665 25554 3586 1 4 . 1 1 116 116 PRO C C 116 175.979 175.979 175.743 0.236 25554 3587 1 4 . 1 1 116 116 PRO CA C 116 63.086 63.086 63.072 0.014 25554 3588 1 4 . 1 1 116 116 PRO CB C 116 29.681 29.681 32.719 -3.038 25554 3589 1 4 . 1 1 117 117 ILE N N 117 123.591 123.591 122.350 1.241 25554 3590 1 4 . 1 1 117 117 ILE C C 117 174.807 174.807 174.921 -0.114 25554 3591 1 4 . 1 1 117 117 ILE CA C 117 66.291 66.291 60.281 6.010 25554 3592 1 4 . 1 1 117 117 ILE CB C 117 38.767 38.767 42.650 -3.883 25554 3593 1 4 . 1 1 117 117 ILE H H 117 7.781 7.781 8.631 -0.850 25554 3594 1 4 . 1 1 118 118 VAL N N 118 119.009 119.009 124.875 -5.866 25554 3595 1 4 . 1 1 118 118 VAL C C 118 178.324 178.324 174.111 4.213 25554 3596 1 4 . 1 1 118 118 VAL CA C 118 62.777 62.777 60.618 2.159 25554 3597 1 4 . 1 1 118 118 VAL CB C 118 31.154 31.154 34.674 -3.520 25554 3598 1 4 . 1 1 118 118 VAL H H 118 8.767 8.767 8.877 -0.110 25554 3599 1 4 . 1 1 119 119 LEU N N 119 119.408 119.408 129.143 -9.735 25554 3600 1 4 . 1 1 119 119 LEU C C 119 178.031 178.031 174.774 3.257 25554 3601 1 4 . 1 1 119 119 LEU CA C 119 42.866 42.866 53.472 -10.606 25554 3602 1 4 . 1 1 119 119 LEU CB C 119 38.767 38.767 45.407 -6.640 25554 3603 1 4 . 1 1 119 119 LEU H H 119 7.734 7.734 9.023 -1.289 25554 3604 1 4 . 1 1 120 120 CYS N N 120 113.232 113.232 124.742 -11.510 25554 3605 1 4 . 1 1 120 120 CYS C C 120 178.031 178.031 173.321 4.710 25554 3606 1 4 . 1 1 120 120 CYS H H 120 8.317 8.317 9.193 -0.876 25554 3607 1 4 . 1 1 121 121 GLY N N 121 117.349 117.349 111.792 5.557 25554 3608 1 4 . 1 1 121 121 GLY C C 121 176.851 176.851 172.304 4.547 25554 3609 1 4 . 1 1 121 121 GLY CA C 121 41.109 41.109 43.319 -2.210 25554 3610 1 4 . 1 1 121 121 GLY H H 121 7.515 7.515 8.561 -1.046 25554 3611 1 4 . 1 1 122 122 ASN N N 122 125.318 125.318 123.981 1.337 25554 3612 1 4 . 1 1 122 122 ASN C C 122 175.686 175.686 175.395 0.291 25554 3613 1 4 . 1 1 122 122 ASN CA C 122 50.479 50.479 51.804 -1.325 25554 3614 1 4 . 1 1 122 122 ASN CB C 122 39.353 39.353 41.155 -1.802 25554 3615 1 4 . 1 1 122 122 ASN H H 122 9.162 9.162 8.193 0.969 25554 3616 1 4 . 1 1 123 123 LYS N N 123 124.920 124.920 116.788 8.132 25554 3617 1 4 . 1 1 123 123 LYS C C 123 176.566 176.566 177.270 -0.704 25554 3618 1 4 . 1 1 123 123 LYS CA C 123 70.976 70.976 57.240 13.736 25554 3619 1 4 . 1 1 123 123 LYS CB C 123 35.253 35.253 30.095 5.158 25554 3620 1 4 . 1 1 123 123 LYS H H 123 8.086 8.086 8.530 -0.444 25554 3621 1 4 . 1 1 124 124 VAL N N 124 125.517 125.517 113.168 12.349 25554 3622 1 4 . 1 1 124 124 VAL C C 124 177.738 177.738 176.458 1.280 25554 3623 1 4 . 1 1 124 124 VAL CA C 124 62.777 62.777 64.180 -1.403 25554 3624 1 4 . 1 1 124 124 VAL CB C 124 33.496 33.496 31.623 1.873 25554 3625 1 4 . 1 1 124 124 VAL H H 124 9.483 9.483 7.670 1.813 25554 3626 1 4 . 1 1 125 125 ASP N N 125 119.607 119.607 120.295 -0.688 25554 3627 1 4 . 1 1 125 125 ASP C C 125 176.566 176.566 177.131 -0.565 25554 3628 1 4 . 1 1 125 125 ASP CA C 125 55.750 55.750 55.990 -0.240 25554 3629 1 4 . 1 1 125 125 ASP CB C 125 40.524 40.524 40.596 -0.072 25554 3630 1 4 . 1 1 125 125 ASP H H 125 7.875 7.875 7.802 0.073 25554 3631 1 4 . 1 1 126 126 ILE N N 126 116.088 116.088 121.542 -5.454 25554 3632 1 4 . 1 1 126 126 ILE C C 126 177.152 177.152 176.864 0.288 25554 3633 1 4 . 1 1 126 126 ILE CA C 126 66.291 66.291 61.533 4.758 25554 3634 1 4 . 1 1 126 126 ILE CB C 126 39.353 39.353 38.545 0.807 25554 3635 1 4 . 1 1 126 126 ILE H H 126 7.511 7.511 7.392 0.119 25554 3636 1 4 . 1 1 127 127 LYS N N 127 117.681 117.681 124.924 -7.243 25554 3637 1 4 . 1 1 127 127 LYS C C 127 177.152 177.152 177.120 0.032 25554 3638 1 4 . 1 1 127 127 LYS CA C 127 57.507 57.507 58.346 -0.839 25554 3639 1 4 . 1 1 127 127 LYS CB C 127 31.154 31.154 32.681 -1.527 25554 3640 1 4 . 1 1 127 127 LYS H H 127 8.059 8.059 8.391 -0.332 25554 3641 1 4 . 1 1 128 128 ASP N N 128 118.279 118.279 119.862 -1.583 25554 3642 1 4 . 1 1 128 128 ASP C C 128 176.566 176.566 175.032 1.534 25554 3643 1 4 . 1 1 128 128 ASP CA C 128 53.407 53.407 53.347 0.060 25554 3644 1 4 . 1 1 128 128 ASP CB C 128 40.524 40.524 39.870 0.654 25554 3645 1 4 . 1 1 128 128 ASP H H 128 7.241 7.241 8.118 -0.877 25554 3646 1 4 . 1 1 129 129 ARG N N 129 118.943 118.943 125.892 -6.949 25554 3647 1 4 . 1 1 129 129 ARG C C 129 177.738 177.738 175.919 1.819 25554 3648 1 4 . 1 1 129 129 ARG CA C 129 45.794 45.794 55.519 -9.725 25554 3649 1 4 . 1 1 129 129 ARG CB C 129 31.154 31.154 31.004 0.150 25554 3650 1 4 . 1 1 129 129 ARG H H 129 8.423 8.423 7.859 0.564 25554 3651 1 4 . 1 1 130 130 LYS N N 130 109.381 109.381 124.401 -15.020 25554 3652 1 4 . 1 1 130 130 LYS C C 130 176.566 176.566 176.358 0.208 25554 3653 1 4 . 1 1 130 130 LYS CA C 130 55.164 55.164 57.993 -2.829 25554 3654 1 4 . 1 1 130 130 LYS CB C 130 36.424 36.424 33.257 3.167 25554 3655 1 4 . 1 1 130 130 LYS H H 130 7.296 7.296 8.584 -1.288 25554 3656 1 4 . 1 1 131 131 VAL N N 131 110.377 110.377 119.357 -8.980 25554 3657 1 4 . 1 1 131 131 VAL C C 131 178.617 178.617 174.467 4.150 25554 3658 1 4 . 1 1 131 131 VAL CA C 131 65.705 65.705 61.959 3.746 25554 3659 1 4 . 1 1 131 131 VAL CB C 131 35.839 35.839 32.730 3.109 25554 3660 1 4 . 1 1 131 131 VAL H H 131 9.283 9.283 7.985 1.298 25554 3661 1 4 . 1 1 132 132 LYS N N 132 110.310 110.310 125.900 -15.590 25554 3662 1 4 . 1 1 132 132 LYS C C 132 176.273 176.273 177.204 -0.931 25554 3663 1 4 . 1 1 132 132 LYS CA C 132 59.849 59.849 54.238 5.611 25554 3664 1 4 . 1 1 132 132 LYS CB C 132 35.253 35.253 35.514 -0.261 25554 3665 1 4 . 1 1 132 132 LYS H H 132 9.709 9.709 8.052 1.657 25554 3666 1 4 . 1 1 133 133 ALA N N 133 134.349 134.349 123.988 10.361 25554 3667 1 4 . 1 1 133 133 ALA CA C 133 51.065 51.065 55.030 -3.965 25554 3668 1 4 . 1 1 133 133 ALA CB C 133 12.999 12.999 18.489 -5.490 25554 3669 1 4 . 1 1 133 133 ALA H H 133 6.322 6.322 8.880 -2.558 25554 3670 1 4 . 1 1 134 134 LYS N N 134 117.615 117.615 117.166 0.449 25554 3671 1 4 . 1 1 134 134 LYS C C 134 176.859 176.859 177.306 -0.447 25554 3672 1 4 . 1 1 134 134 LYS CA C 134 55.750 55.750 58.734 -2.984 25554 3673 1 4 . 1 1 134 134 LYS CB C 134 54.579 54.579 32.091 22.488 25554 3674 1 4 . 1 1 134 134 LYS H H 134 6.549 6.549 8.198 -1.649 25554 3675 1 4 . 1 1 135 135 SER N N 135 109.314 109.314 112.421 -3.107 25554 3676 1 4 . 1 1 135 135 SER C C 135 173.635 173.635 174.806 -1.171 25554 3677 1 4 . 1 1 135 135 SER CA C 135 56.336 56.336 58.645 -2.309 25554 3678 1 4 . 1 1 135 135 SER CB C 135 63.949 63.949 63.583 0.366 25554 3679 1 4 . 1 1 135 135 SER H H 135 7.840 7.840 7.691 0.149 25554 3680 1 4 . 1 1 136 136 ILE N N 136 124.123 124.123 118.071 6.052 25554 3681 1 4 . 1 1 136 136 ILE C C 136 175.100 175.100 175.745 -0.645 25554 3682 1 4 . 1 1 136 136 ILE CA C 136 68.634 68.634 60.813 7.821 25554 3683 1 4 . 1 1 136 136 ILE CB C 136 43.452 43.452 35.800 7.652 25554 3684 1 4 . 1 1 136 136 ILE H H 136 8.098 8.098 7.096 1.002 25554 3685 1 4 . 1 1 137 137 VAL N N 137 113.232 113.232 123.791 -10.559 25554 3686 1 4 . 1 1 137 137 VAL C C 137 176.859 176.859 176.907 -0.048 25554 3687 1 4 . 1 1 137 137 VAL CA C 137 64.534 64.534 63.712 0.822 25554 3688 1 4 . 1 1 137 137 VAL CB C 137 34.082 34.082 32.346 1.736 25554 3689 1 4 . 1 1 137 137 VAL H H 137 7.711 7.711 7.899 -0.188 25554 3690 1 4 . 1 1 138 138 PHE N N 138 118.279 118.279 120.767 -2.488 25554 3691 1 4 . 1 1 138 138 PHE C C 138 175.393 175.393 176.041 -0.648 25554 3692 1 4 . 1 1 138 138 PHE CA C 138 58.092 58.092 61.584 -3.491 25554 3693 1 4 . 1 1 138 138 PHE CB C 138 39.353 39.353 38.687 0.666 25554 3694 1 4 . 1 1 138 138 PHE H H 138 8.317 8.317 7.730 0.587 25554 3695 1 4 . 1 1 139 139 HIS N N 139 107.654 107.654 116.874 -9.220 25554 3696 1 4 . 1 1 139 139 HIS C C 139 175.979 175.979 177.657 -1.678 25554 3697 1 4 . 1 1 139 139 HIS CA C 139 53.993 53.993 59.942 -5.949 25554 3698 1 4 . 1 1 139 139 HIS CB C 139 28.811 28.811 29.452 -0.641 25554 3699 1 4 . 1 1 139 139 HIS H H 139 8.016 8.016 8.144 -0.128 25554 3700 1 4 . 1 1 140 140 ARG N N 140 117.084 117.084 119.529 -2.445 25554 3701 1 4 . 1 1 140 140 ARG C C 140 176.859 176.859 177.909 -1.050 25554 3702 1 4 . 1 1 140 140 ARG CA C 140 57.507 57.507 58.188 -0.681 25554 3703 1 4 . 1 1 140 140 ARG CB C 140 31.739 31.739 29.836 1.903 25554 3704 1 4 . 1 1 140 140 ARG H H 140 8.763 8.763 7.747 1.016 25554 3705 1 4 . 1 1 141 141 LYS N N 141 115.623 115.623 118.139 -2.516 25554 3706 1 4 . 1 1 141 141 LYS C C 141 173.635 173.635 178.167 -4.532 25554 3707 1 4 . 1 1 141 141 LYS CA C 141 58.092 58.092 58.593 -0.501 25554 3708 1 4 . 1 1 141 141 LYS CB C 141 33.496 33.496 32.349 1.147 25554 3709 1 4 . 1 1 141 141 LYS H H 141 7.449 7.449 7.536 -0.087 25554 3710 1 4 . 1 1 142 142 LYS N N 142 114.162 114.162 114.657 -0.495 25554 3711 1 4 . 1 1 142 142 LYS C C 142 175.979 175.979 176.006 -0.027 25554 3712 1 4 . 1 1 142 142 LYS CA C 142 51.065 51.065 54.945 -3.880 25554 3713 1 4 . 1 1 142 142 LYS CB C 142 34.668 34.668 32.170 2.498 25554 3714 1 4 . 1 1 142 142 LYS H H 142 8.982 8.982 7.098 1.884 25554 3715 1 4 . 1 1 143 143 ASN N N 143 112.103 112.103 115.408 -3.305 25554 3716 1 4 . 1 1 143 143 ASN C C 143 175.100 175.100 174.127 0.973 25554 3717 1 4 . 1 1 143 143 ASN CA C 143 53.407 53.407 54.219 -0.812 25554 3718 1 4 . 1 1 143 143 ASN CB C 143 39.938 39.938 36.610 3.328 25554 3719 1 4 . 1 1 143 143 ASN H H 143 7.402 7.402 8.383 -0.981 25554 3720 1 4 . 1 1 144 144 LEU N N 144 118.810 118.810 117.135 1.675 25554 3721 1 4 . 1 1 144 144 LEU CA C 144 53.993 53.993 53.910 0.083 25554 3722 1 4 . 1 1 144 144 LEU CB C 144 42.866 42.866 43.558 -0.692 25554 3723 1 4 . 1 1 144 144 LEU H H 144 7.793 7.793 7.951 -0.158 25554 3724 1 4 . 1 1 145 145 GLN N N 145 119.607 119.607 118.986 0.621 25554 3725 1 4 . 1 1 145 145 GLN C C 145 176.859 176.859 173.408 3.451 25554 3726 1 4 . 1 1 145 145 GLN CA C 145 55.164 55.164 53.531 1.633 25554 3727 1 4 . 1 1 145 145 GLN CB C 145 29.983 29.983 31.541 -1.558 25554 3728 1 4 . 1 1 145 145 GLN H H 145 7.014 7.014 7.535 -0.521 25554 3729 1 4 . 1 1 146 146 TYR N N 146 119.275 119.275 125.832 -6.557 25554 3730 1 4 . 1 1 146 146 TYR C C 146 174.807 174.807 174.023 0.784 25554 3731 1 4 . 1 1 146 146 TYR CA C 146 62.777 62.777 56.482 6.295 25554 3732 1 4 . 1 1 146 146 TYR CB C 146 41.109 41.109 40.511 0.598 25554 3733 1 4 . 1 1 146 146 TYR H H 146 9.350 9.350 7.996 1.354 25554 3734 1 4 . 1 1 147 147 TYR N N 147 123.658 123.658 125.463 -1.805 25554 3735 1 4 . 1 1 147 147 TYR C C 147 177.738 177.738 173.566 4.172 25554 3736 1 4 . 1 1 147 147 TYR CA C 147 58.092 58.092 55.449 2.643 25554 3737 1 4 . 1 1 147 147 TYR CB C 147 39.938 39.938 41.917 -1.979 25554 3738 1 4 . 1 1 147 147 TYR H H 147 8.340 8.340 8.328 0.012 25554 3739 1 4 . 1 1 148 148 ASP N N 148 121.267 121.267 121.191 0.076 25554 3740 1 4 . 1 1 148 148 ASP C C 148 176.859 176.859 174.593 2.266 25554 3741 1 4 . 1 1 148 148 ASP CA C 148 54.579 54.579 53.076 1.503 25554 3742 1 4 . 1 1 148 148 ASP CB C 148 41.109 41.109 41.770 -0.661 25554 3743 1 4 . 1 1 148 148 ASP H H 148 8.911 8.911 8.359 0.552 25554 3744 1 4 . 1 1 149 149 ILE N N 149 119.607 119.607 122.563 -2.956 25554 3745 1 4 . 1 1 149 149 ILE C C 149 174.807 174.807 173.550 1.257 25554 3746 1 4 . 1 1 149 149 ILE CA C 149 61.020 61.020 60.518 0.502 25554 3747 1 4 . 1 1 149 149 ILE CB C 149 39.353 39.353 41.551 -2.198 25554 3748 1 4 . 1 1 149 149 ILE H H 149 8.712 8.712 8.933 -0.221 25554 3749 1 4 . 1 1 150 150 SER N N 150 117.349 117.349 124.539 -7.190 25554 3750 1 4 . 1 1 150 150 SER C C 150 175.686 175.686 174.290 1.396 25554 3751 1 4 . 1 1 150 150 SER CA C 150 60.435 60.435 57.177 3.258 25554 3752 1 4 . 1 1 150 150 SER CB C 150 62.192 62.192 64.605 -2.413 25554 3753 1 4 . 1 1 150 150 SER H H 150 8.454 8.454 8.786 -0.332 25554 3754 1 4 . 1 1 151 151 ALA N N 151 131.162 131.162 131.255 -0.093 25554 3755 1 4 . 1 1 151 151 ALA C C 151 160.742 160.742 179.426 -18.684 25554 3756 1 4 . 1 1 151 151 ALA CA C 151 53.993 53.993 55.458 -1.465 25554 3757 1 4 . 1 1 151 151 ALA CB C 151 22.369 22.369 18.922 3.447 25554 3758 1 4 . 1 1 151 151 ALA H H 151 10.640 10.640 8.649 1.991 25554 3759 1 4 . 1 1 152 152 LYS N N 152 121.400 121.400 118.193 3.207 25554 3760 1 4 . 1 1 152 152 LYS C C 152 174.221 174.221 177.845 -3.624 25554 3761 1 4 . 1 1 152 152 LYS CA C 152 59.849 59.849 59.757 0.092 25554 3762 1 4 . 1 1 152 152 LYS CB C 152 34.668 34.668 32.422 2.246 25554 3763 1 4 . 1 1 152 152 LYS H H 152 9.099 9.099 8.688 0.411 25554 3764 1 4 . 1 1 153 153 SER N N 153 115.212 115.212 111.530 3.682 25554 3765 1 4 . 1 1 153 153 SER C C 153 177.152 177.152 174.728 2.424 25554 3766 1 4 . 1 1 153 153 SER CA C 153 62.192 62.192 57.995 4.197 25554 3767 1 4 . 1 1 153 153 SER CB C 153 66.291 66.291 63.382 2.909 25554 3768 1 4 . 1 1 153 153 SER H H 153 8.935 8.935 8.500 0.435 25554 3769 1 4 . 1 1 154 154 ASN N N 154 119.341 119.341 117.616 1.725 25554 3770 1 4 . 1 1 154 154 ASN C C 154 175.979 175.979 174.082 1.897 25554 3771 1 4 . 1 1 154 154 ASN CA C 154 49.894 49.894 54.724 -4.830 25554 3772 1 4 . 1 1 154 154 ASN CB C 154 39.353 39.353 36.606 2.747 25554 3773 1 4 . 1 1 154 154 ASN H H 154 7.488 7.488 7.843 -0.355 25554 3774 1 4 . 1 1 155 155 TYR N N 155 113.498 113.498 122.533 -9.035 25554 3775 1 4 . 1 1 155 155 TYR C C 155 173.928 173.928 174.956 -1.028 25554 3776 1 4 . 1 1 155 155 TYR CA C 155 56.336 56.336 59.235 -2.899 25554 3777 1 4 . 1 1 155 155 TYR CB C 155 37.596 37.596 38.761 -1.165 25554 3778 1 4 . 1 1 155 155 TYR H H 155 6.486 6.486 8.018 -1.532 25554 3779 1 4 . 1 1 156 156 ASN N N 156 122.396 122.396 122.762 -0.366 25554 3780 1 4 . 1 1 156 156 ASN C C 156 175.979 175.979 175.271 0.708 25554 3781 1 4 . 1 1 156 156 ASN CA C 156 51.651 51.651 54.136 -2.485 25554 3782 1 4 . 1 1 156 156 ASN CB C 156 38.767 38.767 36.216 2.551 25554 3783 1 4 . 1 1 156 156 ASN H H 156 8.352 8.352 9.156 -0.804 25554 3784 1 4 . 1 1 157 157 PHE N N 157 123.459 123.459 120.542 2.917 25554 3785 1 4 . 1 1 157 157 PHE C C 157 174.221 174.221 176.722 -2.501 25554 3786 1 4 . 1 1 157 157 PHE CA C 157 57.507 57.507 61.443 -3.936 25554 3787 1 4 . 1 1 157 157 PHE CB C 157 39.353 39.353 39.438 -0.085 25554 3788 1 4 . 1 1 157 157 PHE H H 157 7.429 7.429 7.779 -0.350 25554 3789 1 4 . 1 1 158 158 GLU N N 158 112.568 112.568 118.872 -6.304 25554 3790 1 4 . 1 1 158 158 GLU C C 158 176.566 176.566 178.518 -1.952 25554 3791 1 4 . 1 1 158 158 GLU CA C 158 72.147 72.147 59.588 12.559 25554 3792 1 4 . 1 1 158 158 GLU CB C 158 27.640 27.640 29.476 -1.835 25554 3793 1 4 . 1 1 158 158 GLU H H 158 7.495 7.495 9.038 -1.543 25554 3794 1 4 . 1 1 159 159 LYS N N 159 113.232 113.232 118.439 -5.207 25554 3795 1 4 . 1 1 159 159 LYS C C 159 176.566 176.566 175.893 0.673 25554 3796 1 4 . 1 1 159 159 LYS CA C 159 53.993 53.993 60.854 -6.861 25554 3797 1 4 . 1 1 159 159 LYS CB C 159 33.496 33.496 30.232 3.264 25554 3798 1 4 . 1 1 159 159 LYS H H 159 6.862 6.862 7.392 -0.530 25554 3799 1 4 . 1 1 160 160 PRO C C 160 176.273 176.273 178.533 -2.260 25554 3800 1 4 . 1 1 160 160 PRO CA C 160 64.258 64.258 65.707 -1.449 25554 3801 1 4 . 1 1 160 160 PRO CB C 160 32.318 32.318 31.064 1.254 25554 3802 1 4 . 1 1 161 161 PHE N N 161 120.271 120.271 116.235 4.036 25554 3803 1 4 . 1 1 161 161 PHE C C 161 175.100 175.100 177.751 -2.651 25554 3804 1 4 . 1 1 161 161 PHE CA C 161 56.336 56.336 61.735 -5.399 25554 3805 1 4 . 1 1 161 161 PHE CB C 161 39.353 39.353 38.069 1.284 25554 3806 1 4 . 1 1 161 161 PHE H H 161 8.074 8.074 7.303 0.771 25554 3807 1 4 . 1 1 162 162 LEU N N 162 110.177 110.177 120.765 -10.588 25554 3808 1 4 . 1 1 162 162 LEU C C 162 176.273 176.273 178.031 -1.758 25554 3809 1 4 . 1 1 162 162 LEU CA C 162 55.750 55.750 58.078 -2.328 25554 3810 1 4 . 1 1 162 162 LEU CB C 162 44.037 44.037 41.220 2.817 25554 3811 1 4 . 1 1 162 162 LEU H H 162 7.527 7.527 8.424 -0.897 25554 3812 1 4 . 1 1 163 163 TRP N N 163 123.525 123.525 120.932 2.593 25554 3813 1 4 . 1 1 163 163 TRP C C 163 177.152 177.152 178.097 -0.945 25554 3814 1 4 . 1 1 163 163 TRP CA C 163 61.606 61.606 62.283 -0.678 25554 3815 1 4 . 1 1 163 163 TRP CB C 163 28.811 28.811 29.624 -0.813 25554 3816 1 4 . 1 1 163 163 TRP H H 163 7.476 7.476 8.146 -0.670 25554 3817 1 4 . 1 1 164 164 LEU N N 164 119.740 119.740 119.179 0.561 25554 3818 1 4 . 1 1 164 164 LEU C C 164 175.686 175.686 179.060 -3.374 25554 3819 1 4 . 1 1 164 164 LEU CA C 164 61.020 61.020 57.916 3.104 25554 3820 1 4 . 1 1 164 164 LEU CB C 164 45.794 45.794 41.465 4.329 25554 3821 1 4 . 1 1 164 164 LEU H H 164 9.412 9.412 8.206 1.206 25554 3822 1 4 . 1 1 165 165 ALA N N 165 118.013 118.013 121.883 -3.870 25554 3823 1 4 . 1 1 165 165 ALA C C 165 165.723 165.723 179.296 -13.573 25554 3824 1 4 . 1 1 165 165 ALA CA C 165 52.236 52.236 55.387 -3.151 25554 3825 1 4 . 1 1 165 165 ALA CB C 165 21.784 21.784 18.533 3.251 25554 3826 1 4 . 1 1 165 165 ALA H H 165 7.707 7.707 8.689 -0.982 25554 3827 1 4 . 1 1 166 166 ARG N N 166 122.994 122.994 118.028 4.966 25554 3828 1 4 . 1 1 166 166 ARG C C 166 175.979 175.979 179.034 -3.055 25554 3829 1 4 . 1 1 166 166 ARG CA C 166 49.308 49.308 59.221 -9.913 25554 3830 1 4 . 1 1 166 166 ARG CB C 166 29.397 29.397 30.014 -0.617 25554 3831 1 4 . 1 1 166 166 ARG H H 166 8.692 8.692 8.067 0.625 25554 3832 1 4 . 1 1 167 167 LYS N N 167 112.568 112.568 119.226 -6.658 25554 3833 1 4 . 1 1 167 167 LYS C C 167 176.273 176.273 179.273 -3.000 25554 3834 1 4 . 1 1 167 167 LYS CA C 167 58.092 58.092 58.297 -0.205 25554 3835 1 4 . 1 1 167 167 LYS CB C 167 34.668 34.668 31.565 3.103 25554 3836 1 4 . 1 1 167 167 LYS H H 167 6.819 6.819 7.508 -0.689 25554 3837 1 4 . 1 1 168 168 LEU N N 168 114.959 114.959 119.443 -4.484 25554 3838 1 4 . 1 1 168 168 LEU C C 168 177.738 177.738 179.020 -1.282 25554 3839 1 4 . 1 1 168 168 LEU CA C 168 56.921 56.921 57.358 -0.437 25554 3840 1 4 . 1 1 168 168 LEU CB C 168 41.695 41.695 41.497 0.198 25554 3841 1 4 . 1 1 168 168 LEU H H 168 7.269 7.269 7.938 -0.669 25554 3842 1 4 . 1 1 169 169 ILE N N 169 124.986 124.986 114.894 10.092 25554 3843 1 4 . 1 1 169 169 ILE C C 169 171.877 171.877 177.323 -5.446 25554 3844 1 4 . 1 1 169 169 ILE CA C 169 68.048 68.048 62.790 5.258 25554 3845 1 4 . 1 1 169 169 ILE CB C 169 39.353 39.353 38.927 0.426 25554 3846 1 4 . 1 1 169 169 ILE H H 169 8.915 8.915 8.021 0.894 25554 3847 1 4 . 1 1 170 170 GLY N N 170 113.099 113.099 107.454 5.645 25554 3848 1 4 . 1 1 170 170 GLY C C 170 162.496 162.496 173.622 -11.126 25554 3849 1 4 . 1 1 170 170 GLY CA C 170 44.037 44.037 44.989 -0.952 25554 3850 1 4 . 1 1 170 170 GLY H H 170 6.686 6.686 7.831 -1.145 25554 3851 1 4 . 1 1 171 171 ASP N N 171 113.232 113.232 121.574 -8.342 25554 3852 1 4 . 1 1 171 171 ASP C C 171 178.910 178.910 175.622 3.288 25554 3853 1 4 . 1 1 171 171 ASP CA C 171 50.479 50.479 50.493 -0.014 25554 3854 1 4 . 1 1 171 171 ASP CB C 171 41.109 41.109 41.405 -0.296 25554 3855 1 4 . 1 1 171 171 ASP H H 171 6.815 6.815 7.958 -1.143 25554 3856 1 4 . 1 1 172 172 PRO C C 172 176.566 176.566 177.116 -0.550 25554 3857 1 4 . 1 1 172 172 PRO CA C 172 63.965 63.965 64.615 -0.650 25554 3858 1 4 . 1 1 172 172 PRO CB C 172 31.732 31.732 32.055 -0.323 25554 3859 1 4 . 1 1 173 173 ASN N N 173 109.779 109.779 114.205 -4.426 25554 3860 1 4 . 1 1 173 173 ASN C C 173 175.979 175.979 175.654 0.325 25554 3861 1 4 . 1 1 173 173 ASN CA C 173 54.579 54.579 53.812 0.767 25554 3862 1 4 . 1 1 173 173 ASN CB C 173 36.424 36.424 38.632 -2.208 25554 3863 1 4 . 1 1 173 173 ASN H H 173 8.016 8.016 8.152 -0.136 25554 3864 1 4 . 1 1 174 174 LEU N N 174 109.248 109.248 122.564 -13.316 25554 3865 1 4 . 1 1 174 174 LEU C C 174 176.566 176.566 175.120 1.446 25554 3866 1 4 . 1 1 174 174 LEU CA C 174 56.336 56.336 56.075 0.261 25554 3867 1 4 . 1 1 174 174 LEU CB C 174 44.037 44.037 42.497 1.540 25554 3868 1 4 . 1 1 174 174 LEU H H 174 7.871 7.871 7.277 0.594 25554 3869 1 4 . 1 1 175 175 GLU N N 175 125.185 125.185 124.334 0.851 25554 3870 1 4 . 1 1 175 175 GLU C C 175 177.445 177.445 174.819 2.626 25554 3871 1 4 . 1 1 175 175 GLU CA C 175 76.247 76.247 54.763 21.484 25554 3872 1 4 . 1 1 175 175 GLU CB C 175 28.811 28.811 34.243 -5.432 25554 3873 1 4 . 1 1 175 175 GLU H H 175 9.127 9.127 8.345 0.782 25554 3874 1 4 . 1 1 176 176 PHE N N 176 136.873 136.873 120.469 16.404 25554 3875 1 4 . 1 1 176 176 PHE C C 176 178.617 178.617 175.919 2.698 25554 3876 1 4 . 1 1 176 176 PHE CA C 176 59.264 59.264 56.479 2.785 25554 3877 1 4 . 1 1 176 176 PHE CB C 176 44.623 44.623 39.380 5.243 25554 3878 1 4 . 1 1 176 176 PHE H H 176 10.058 10.058 8.766 1.292 25554 3879 1 4 . 1 1 177 177 VAL N N 177 118.877 118.877 123.795 -4.918 25554 3880 1 4 . 1 1 177 177 VAL C C 177 177.445 177.445 175.180 2.265 25554 3881 1 4 . 1 1 177 177 VAL CA C 177 62.777 62.777 62.955 -0.178 25554 3882 1 4 . 1 1 177 177 VAL CB C 177 34.668 34.668 33.239 1.429 25554 3883 1 4 . 1 1 177 177 VAL H H 177 7.789 7.789 9.377 -1.588 25554 3884 1 4 . 1 1 178 178 ALA N N 178 128.904 128.904 121.733 7.171 25554 3885 1 4 . 1 1 178 178 ALA CA C 178 57.507 57.507 51.454 6.053 25554 3886 1 4 . 1 1 178 178 ALA CB C 178 19.441 19.441 21.721 -2.280 25554 3887 1 4 . 1 1 178 178 ALA H H 178 7.566 7.566 8.177 -0.611 25554 3888 1 4 . 1 1 179 179 MET N N 179 120.736 120.736 122.150 -1.414 25554 3889 1 4 . 1 1 179 179 MET C C 179 176.859 176.859 175.082 1.777 25554 3890 1 4 . 1 1 179 179 MET CA C 179 56.336 56.336 51.278 5.059 25554 3891 1 4 . 1 1 179 179 MET CB C 179 34.668 34.668 31.041 3.627 25554 3892 1 4 . 1 1 179 179 MET H H 179 7.930 7.930 8.629 -0.699 25554 3893 1 4 . 1 1 180 180 PRO C C 180 177.445 177.445 175.672 1.773 25554 3894 1 4 . 1 1 180 180 PRO CA C 180 64.844 64.844 62.222 2.622 25554 3895 1 4 . 1 1 180 180 PRO CB C 180 29.974 29.974 31.868 -1.894 25554 3896 1 4 . 1 1 181 181 ALA N N 181 128.439 128.439 123.100 5.339 25554 3897 1 4 . 1 1 181 181 ALA C C 181 176.273 176.273 175.801 0.472 25554 3898 1 4 . 1 1 181 181 ALA CA C 181 58.092 58.092 52.099 5.993 25554 3899 1 4 . 1 1 181 181 ALA CB C 181 21.198 21.198 19.290 1.908 25554 3900 1 4 . 1 1 181 181 ALA H H 181 8.673 8.673 8.132 0.541 25554 3901 1 4 . 1 1 182 182 LEU N N 182 122.130 122.130 123.257 -1.127 25554 3902 1 4 . 1 1 182 182 LEU C C 182 177.445 177.445 176.769 0.676 25554 3903 1 4 . 1 1 182 182 LEU CA C 182 55.164 55.164 52.433 2.731 25554 3904 1 4 . 1 1 182 182 LEU CB C 182 42.866 42.866 45.394 -2.528 25554 3905 1 4 . 1 1 182 182 LEU H H 182 8.821 8.821 8.063 0.758 25554 3906 1 4 . 1 1 183 183 ALA N N 183 108.783 108.783 125.702 -16.919 25554 3907 1 4 . 1 1 183 183 ALA C C 183 160.742 160.742 175.370 -14.628 25554 3908 1 4 . 1 1 183 183 ALA CA C 183 51.651 51.651 50.447 1.204 25554 3909 1 4 . 1 1 183 183 ALA CB C 183 18.856 18.856 18.089 0.767 25554 3910 1 4 . 1 1 183 183 ALA H H 183 7.621 7.621 8.318 -0.697 25554 3911 1 4 . 1 1 184 184 PRO C C 184 177.152 177.152 174.930 2.222 25554 3912 1 4 . 1 1 184 184 PRO CA C 184 64.258 64.258 61.926 2.332 25554 3913 1 4 . 1 1 184 184 PRO CB C 184 29.681 29.681 31.520 -1.839 25554 3914 1 4 . 1 1 185 185 PRO C C 185 175.686 175.686 177.098 -1.412 25554 3915 1 4 . 1 1 185 185 PRO CA C 185 63.379 63.379 63.440 -0.061 25554 3916 1 4 . 1 1 185 185 PRO CB C 185 35.248 35.248 32.109 3.139 25554 3917 1 4 . 1 1 186 186 GLU N N 186 104.931 104.931 124.318 -19.387 25554 3918 1 4 . 1 1 186 186 GLU C C 186 174.221 174.221 176.514 -2.293 25554 3919 1 4 . 1 1 186 186 GLU CA C 186 57.507 57.507 58.510 -1.003 25554 3920 1 4 . 1 1 186 186 GLU CB C 186 31.739 31.739 30.246 1.493 25554 3921 1 4 . 1 1 186 186 GLU H H 186 8.673 8.673 8.856 -0.183 25554 3922 1 4 . 1 1 187 187 VAL N N 187 124.455 124.455 110.996 13.459 25554 3923 1 4 . 1 1 187 187 VAL C C 187 178.910 178.910 174.101 4.809 25554 3924 1 4 . 1 1 187 187 VAL CA C 187 63.363 63.363 59.987 3.376 25554 3925 1 4 . 1 1 187 187 VAL CB C 187 34.082 34.082 35.014 -0.932 25554 3926 1 4 . 1 1 187 187 VAL H H 187 8.622 8.622 7.433 1.189 25554 3927 1 4 . 1 1 188 188 VAL N N 188 128.572 128.572 121.515 7.057 25554 3928 1 4 . 1 1 188 188 VAL C C 188 178.324 178.324 175.134 3.190 25554 3929 1 4 . 1 1 188 188 VAL CA C 188 68.634 68.634 60.925 7.709 25554 3930 1 4 . 1 1 188 188 VAL CB C 188 31.154 31.154 32.921 -1.767 25554 3931 1 4 . 1 1 188 188 VAL H H 188 8.497 8.497 8.176 0.321 25554 3932 1 4 . 1 1 189 189 MET N N 189 122.795 122.795 125.830 -3.035 25554 3933 1 4 . 1 1 189 189 MET C C 189 177.445 177.445 175.606 1.839 25554 3934 1 4 . 1 1 189 189 MET CA C 189 55.164 55.164 55.510 -0.346 25554 3935 1 4 . 1 1 189 189 MET CB C 189 35.253 35.253 33.506 1.747 25554 3936 1 4 . 1 1 189 189 MET H H 189 6.991 6.991 8.348 -1.357 25554 3937 1 4 . 1 1 190 190 ASP N N 190 114.959 114.959 127.534 -12.575 25554 3938 1 4 . 1 1 190 190 ASP C C 190 175.686 175.686 175.361 0.325 25554 3939 1 4 . 1 1 190 190 ASP CA C 190 51.065 51.065 51.375 -0.310 25554 3940 1 4 . 1 1 190 190 ASP CB C 190 41.695 41.695 41.484 0.211 25554 3941 1 4 . 1 1 190 190 ASP H H 190 7.210 7.210 8.506 -1.296 25554 3942 1 4 . 1 1 191 191 PRO C C 191 176.566 176.566 177.683 -1.117 25554 3943 1 4 . 1 1 191 191 PRO CA C 191 63.965 63.965 65.336 -1.371 25554 3944 1 4 . 1 1 191 191 PRO CB C 191 31.146 31.146 31.876 -0.730 25554 3945 1 4 . 1 1 192 192 ALA N N 192 109.513 109.513 120.768 -11.255 25554 3946 1 4 . 1 1 192 192 ALA CA C 192 53.993 53.993 55.271 -1.278 25554 3947 1 4 . 1 1 192 192 ALA CB C 192 19.441 19.441 18.071 1.370 25554 3948 1 4 . 1 1 192 192 ALA H H 192 7.394 7.394 8.032 -0.638 25554 3949 1 4 . 1 1 193 193 LEU N N 193 119.009 119.009 119.513 -0.504 25554 3950 1 4 . 1 1 193 193 LEU C C 193 175.979 175.979 179.167 -3.188 25554 3951 1 4 . 1 1 193 193 LEU CA C 193 56.336 56.336 57.138 -0.802 25554 3952 1 4 . 1 1 193 193 LEU CB C 193 42.866 42.866 41.322 1.544 25554 3953 1 4 . 1 1 193 193 LEU H H 193 8.340 8.340 8.005 0.335 25554 3954 1 4 . 1 1 194 194 ALA N N 194 121.666 121.666 121.554 0.112 25554 3955 1 4 . 1 1 194 194 ALA C C 194 166.896 166.896 179.263 -12.367 25554 3956 1 4 . 1 1 194 194 ALA CA C 194 55.164 55.164 54.856 0.308 25554 3957 1 4 . 1 1 194 194 ALA CB C 194 16.513 16.513 18.144 -1.631 25554 3958 1 4 . 1 1 194 194 ALA H H 194 8.176 8.176 8.133 0.043 25554 3959 1 4 . 1 1 195 195 ALA N N 195 119.541 119.541 121.438 -1.897 25554 3960 1 4 . 1 1 195 195 ALA C C 195 173.928 173.928 179.399 -5.471 25554 3961 1 4 . 1 1 195 195 ALA CA C 195 57.507 57.507 55.015 2.492 25554 3962 1 4 . 1 1 195 195 ALA CB C 195 19.441 19.441 18.277 1.164 25554 3963 1 4 . 1 1 195 195 ALA H H 195 8.364 8.364 8.362 0.002 25554 3964 1 4 . 1 1 196 196 GLN N N 196 107.322 107.322 119.276 -11.954 25554 3965 1 4 . 1 1 196 196 GLN C C 196 176.273 176.273 178.282 -2.009 25554 3966 1 4 . 1 1 196 196 GLN CA C 196 56.921 56.921 59.015 -2.094 25554 3967 1 4 . 1 1 196 196 GLN CB C 196 29.983 29.983 28.634 1.349 25554 3968 1 4 . 1 1 196 196 GLN H H 196 7.910 7.910 8.096 -0.186 25554 3969 1 4 . 1 1 197 197 TYR N N 197 115.623 115.623 117.151 -1.528 25554 3970 1 4 . 1 1 197 197 TYR CA C 197 67.462 67.462 60.027 7.435 25554 3971 1 4 . 1 1 197 197 TYR CB C 197 41.695 41.695 38.221 3.474 25554 3972 1 4 . 1 1 197 197 TYR H H 197 8.196 8.196 7.952 0.244 25554 3973 1 4 . 1 1 198 198 GLU N N 198 110.244 110.244 117.179 -6.935 25554 3974 1 4 . 1 1 198 198 GLU C C 198 176.273 176.273 177.929 -1.656 25554 3975 1 4 . 1 1 198 198 GLU CA C 198 53.407 53.407 59.157 -5.750 25554 3976 1 4 . 1 1 198 198 GLU CB C 198 30.568 30.568 30.675 -0.107 25554 3977 1 4 . 1 1 198 198 GLU H H 198 7.523 7.523 7.808 -0.285 25554 3978 1 4 . 1 1 199 199 HIS N N 199 118.611 118.611 115.465 3.146 25554 3979 1 4 . 1 1 199 199 HIS C C 199 175.686 175.686 175.968 -0.282 25554 3980 1 4 . 1 1 199 199 HIS CA C 199 56.921 56.921 55.935 0.986 25554 3981 1 4 . 1 1 199 199 HIS CB C 199 28.226 28.226 29.371 -1.145 25554 3982 1 4 . 1 1 199 199 HIS H H 199 8.512 8.512 8.572 -0.060 25554 3983 1 4 . 1 1 200 200 ASP N N 200 120.736 120.736 122.343 -1.607 25554 3984 1 4 . 1 1 200 200 ASP C C 200 176.273 176.273 177.419 -1.146 25554 3985 1 4 . 1 1 200 200 ASP CA C 200 56.921 56.921 57.839 -0.918 25554 3986 1 4 . 1 1 200 200 ASP CB C 200 40.524 40.524 40.791 -0.267 25554 3987 1 4 . 1 1 200 200 ASP H H 200 7.519 7.519 9.244 -1.725 25554 3988 1 4 . 1 1 201 201 LEU N N 201 116.353 116.353 120.193 -3.840 25554 3989 1 4 . 1 1 201 201 LEU C C 201 178.910 178.910 178.590 0.320 25554 3990 1 4 . 1 1 201 201 LEU CA C 201 61.606 61.606 57.316 4.290 25554 3991 1 4 . 1 1 201 201 LEU CB C 201 41.109 41.109 42.261 -1.152 25554 3992 1 4 . 1 1 201 201 LEU H H 201 7.722 7.722 7.816 -0.094 25554 3993 1 4 . 1 1 202 202 GLU N N 202 118.080 118.080 120.013 -1.933 25554 3994 1 4 . 1 1 202 202 GLU C C 202 176.566 176.566 179.075 -2.509 25554 3995 1 4 . 1 1 202 202 GLU CA C 202 56.921 56.921 60.018 -3.097 25554 3996 1 4 . 1 1 202 202 GLU CB C 202 30.568 30.568 29.419 1.149 25554 3997 1 4 . 1 1 202 202 GLU H H 202 8.857 8.857 8.345 0.512 25554 3998 1 4 . 1 1 203 203 VAL N N 203 129.369 129.369 119.833 9.536 25554 3999 1 4 . 1 1 203 203 VAL C C 203 178.617 178.617 177.902 0.715 25554 4000 1 4 . 1 1 203 203 VAL CA C 203 64.534 64.534 65.766 -1.232 25554 4001 1 4 . 1 1 203 203 VAL CB C 203 27.640 27.640 31.584 -3.944 25554 4002 1 4 . 1 1 203 203 VAL H H 203 9.283 9.283 7.219 2.064 25554 4003 1 4 . 1 1 204 204 ALA N N 204 109.580 109.580 121.153 -11.573 25554 4004 1 4 . 1 1 204 204 ALA C C 204 176.859 176.859 178.596 -1.737 25554 4005 1 4 . 1 1 204 204 ALA CA C 204 54.579 54.579 54.688 -0.109 25554 4006 1 4 . 1 1 204 204 ALA CB C 204 18.270 18.270 18.439 -0.170 25554 4007 1 4 . 1 1 204 204 ALA H H 204 8.528 8.528 8.483 0.045 25554 4008 1 4 . 1 1 205 205 GLN N N 205 115.756 115.756 118.253 -2.497 25554 4009 1 4 . 1 1 205 205 GLN C C 205 175.979 175.979 177.947 -1.968 25554 4010 1 4 . 1 1 205 205 GLN CA C 205 48.137 48.137 58.429 -10.293 25554 4011 1 4 . 1 1 205 205 GLN CB C 205 25.883 25.883 29.247 -3.364 25554 4012 1 4 . 1 1 205 205 GLN H H 205 7.973 7.973 7.891 0.082 25554 4013 1 4 . 1 1 206 206 THR N N 206 120.271 120.271 115.343 4.928 25554 4014 1 4 . 1 1 206 206 THR C C 206 176.273 176.273 175.560 0.713 25554 4015 1 4 . 1 1 206 206 THR CA C 206 67.462 67.462 65.072 2.390 25554 4016 1 4 . 1 1 206 206 THR CB C 206 70.390 70.390 69.078 1.312 25554 4017 1 4 . 1 1 206 206 THR H H 206 7.585 7.585 8.148 -0.563 25554 4018 1 4 . 1 1 207 207 THR N N 207 111.970 111.970 118.685 -6.715 25554 4019 1 4 . 1 1 207 207 THR C C 207 176.566 176.566 173.309 3.257 25554 4020 1 4 . 1 1 207 207 THR CA C 207 64.534 64.534 63.239 1.295 25554 4021 1 4 . 1 1 207 207 THR CB C 207 72.733 72.733 69.562 3.171 25554 4022 1 4 . 1 1 207 207 THR H H 207 7.468 7.468 7.625 -0.157 25554 4023 1 4 . 1 1 208 208 ALA N N 208 115.623 115.623 128.640 -13.017 25554 4024 1 4 . 1 1 208 208 ALA C C 208 168.947 168.947 175.826 -6.879 25554 4025 1 4 . 1 1 208 208 ALA CA C 208 55.164 55.164 50.997 4.167 25554 4026 1 4 . 1 1 208 208 ALA CB C 208 22.369 22.369 21.282 1.087 25554 4027 1 4 . 1 1 208 208 ALA H H 208 7.390 7.390 8.455 -1.065 25554 4028 1 4 . 1 1 209 209 LEU N N 209 117.814 117.814 122.880 -5.066 25554 4029 1 4 . 1 1 209 209 LEU C C 209 176.273 176.273 176.140 0.133 25554 4030 1 4 . 1 1 209 209 LEU CA C 209 58.678 58.678 53.514 5.164 25554 4031 1 4 . 1 1 209 209 LEU CB C 209 46.380 46.380 40.224 6.156 25554 4032 1 4 . 1 1 209 209 LEU H H 209 7.652 7.652 8.628 -0.976 25554 4033 1 4 . 1 1 210 210 PRO C C 210 176.566 176.566 175.792 0.774 25554 4034 1 4 . 1 1 210 210 PRO CA C 210 63.086 63.086 64.629 -1.543 25554 4035 1 4 . 1 1 210 210 PRO CB C 210 31.146 31.146 32.082 -0.936 25554 4036 1 4 . 1 1 211 211 ASP N N 211 121.134 121.134 114.935 6.199 25554 4037 1 4 . 1 1 211 211 ASP C C 211 176.273 176.273 176.757 -0.484 25554 4038 1 4 . 1 1 211 211 ASP CA C 211 52.236 52.236 52.547 -0.311 25554 4039 1 4 . 1 1 211 211 ASP CB C 211 42.281 42.281 43.452 -1.171 25554 4040 1 4 . 1 1 211 211 ASP H H 211 9.510 9.510 7.788 1.722 25554 4041 1 4 . 1 1 212 212 GLU N N 212 131.162 131.162 120.020 11.142 25554 4042 1 4 . 1 1 212 212 GLU C C 212 176.273 176.273 175.926 0.347 25554 4043 1 4 . 1 1 212 212 GLU CA C 212 55.164 55.164 59.730 -4.566 25554 4044 1 4 . 1 1 212 212 GLU CB C 212 30.568 30.568 30.348 0.220 25554 4045 1 4 . 1 1 212 212 GLU H H 212 8.399 8.399 8.846 -0.447 25554 4046 1 4 . 1 1 213 213 ASP N N 213 115.822 115.822 117.440 -1.618 25554 4047 1 4 . 1 1 213 213 ASP C C 213 174.807 174.807 175.473 -0.666 25554 4048 1 4 . 1 1 213 213 ASP CA C 213 51.065 51.065 53.915 -2.850 25554 4049 1 4 . 1 1 213 213 ASP CB C 213 41.109 41.109 41.864 -0.755 25554 4050 1 4 . 1 1 213 213 ASP H H 213 10.699 10.699 7.879 2.820 25554 4051 1 4 . 1 1 214 214 ASP N N 214 112.369 112.369 121.134 -8.765 25554 4052 1 4 . 1 1 214 214 ASP C C 214 178.910 178.910 176.002 2.908 25554 4053 1 4 . 1 1 214 214 ASP CA C 214 54.579 54.579 53.787 0.792 25554 4054 1 4 . 1 1 214 214 ASP CB C 214 39.353 39.353 41.437 -2.084 25554 4055 1 4 . 1 1 214 214 ASP H H 214 7.464 7.464 8.496 -1.032 25554 4056 1 4 . 1 1 215 215 ASP N N 215 127.244 127.244 124.190 3.054 25554 4057 1 4 . 1 1 215 215 ASP C C 215 176.859 176.859 177.033 -0.174 25554 4058 1 4 . 1 1 215 215 ASP CA C 215 54.579 54.579 56.011 -1.432 25554 4059 1 4 . 1 1 215 215 ASP CB C 215 40.524 40.524 40.901 -0.377 25554 4060 1 4 . 1 1 215 215 ASP H H 215 8.301 8.301 8.384 -0.083 25554 4061 1 5 . 1 1 2 2 ALA N N 2 131.228 131.228 124.230 6.998 25554 4062 1 5 . 1 1 2 2 ALA C C 2 187.031 187.031 179.123 7.908 25554 4063 1 5 . 1 1 2 2 ALA CA C 2 53.407 53.407 54.893 -1.486 25554 4064 1 5 . 1 1 2 2 ALA CB C 2 20.027 20.027 18.054 1.973 25554 4065 1 5 . 1 1 2 2 ALA H H 2 10.644 10.644 8.410 2.234 25554 4066 1 5 . 1 1 3 3 ALA N N 3 124.521 124.521 120.599 3.922 25554 4067 1 5 . 1 1 3 3 ALA C C 3 176.566 176.566 179.334 -2.768 25554 4068 1 5 . 1 1 3 3 ALA CA C 3 49.894 49.894 54.141 -4.247 25554 4069 1 5 . 1 1 3 3 ALA CB C 3 18.270 18.270 18.250 0.020 25554 4070 1 5 . 1 1 3 3 ALA H H 3 8.669 8.669 8.273 0.396 25554 4071 1 5 . 1 1 4 4 GLN N N 4 118.080 118.080 118.374 -0.294 25554 4072 1 5 . 1 1 4 4 GLN C C 4 176.273 176.273 178.261 -1.988 25554 4073 1 5 . 1 1 4 4 GLN CA C 4 54.579 54.579 58.153 -3.574 25554 4074 1 5 . 1 1 4 4 GLN CB C 4 27.054 27.054 28.634 -1.579 25554 4075 1 5 . 1 1 4 4 GLN H H 4 8.919 8.919 8.198 0.721 25554 4076 1 5 . 1 1 5 5 GLY N N 5 121.002 121.002 107.623 13.379 25554 4077 1 5 . 1 1 5 5 GLY C C 5 181.877 181.877 175.702 6.175 25554 4078 1 5 . 1 1 5 5 GLY CA C 5 45.794 45.794 46.846 -1.052 25554 4079 1 5 . 1 1 5 5 GLY H H 5 8.082 8.082 8.294 -0.212 25554 4080 1 5 . 1 1 6 6 GLU N N 6 129.435 129.435 119.655 9.780 25554 4081 1 5 . 1 1 6 6 GLU C C 6 176.566 176.566 176.566 0.000 25554 4082 1 5 . 1 1 6 6 GLU CA C 6 56.336 56.336 59.415 -3.079 25554 4083 1 5 . 1 1 6 6 GLU CB C 6 28.811 28.811 28.943 -0.132 25554 4084 1 5 . 1 1 6 6 GLU H H 6 9.267 9.267 7.898 1.369 25554 4085 1 5 . 1 1 7 7 PRO C C 7 176.566 176.566 176.224 0.342 25554 4086 1 5 . 1 1 7 7 PRO CA C 7 63.672 63.672 63.161 0.511 25554 4087 1 5 . 1 1 7 7 PRO CB C 7 31.146 31.146 32.219 -1.073 25554 4088 1 5 . 1 1 8 8 GLN N N 8 112.502 112.502 119.251 -6.749 25554 4089 1 5 . 1 1 8 8 GLN C C 8 177.445 177.445 174.187 3.258 25554 4090 1 5 . 1 1 8 8 GLN CA C 8 50.479 50.479 54.538 -4.059 25554 4091 1 5 . 1 1 8 8 GLN CB C 8 28.811 28.811 31.230 -2.419 25554 4092 1 5 . 1 1 8 8 GLN H H 8 6.220 6.220 8.358 -2.138 25554 4093 1 5 . 1 1 9 9 VAL N N 9 117.416 117.416 127.403 -9.987 25554 4094 1 5 . 1 1 9 9 VAL C C 9 178.324 178.324 174.550 3.774 25554 4095 1 5 . 1 1 9 9 VAL CA C 9 63.363 63.363 61.654 1.709 25554 4096 1 5 . 1 1 9 9 VAL CB C 9 34.668 34.668 33.334 1.334 25554 4097 1 5 . 1 1 9 9 VAL H H 9 6.561 6.561 8.931 -2.370 25554 4098 1 5 . 1 1 10 10 GLN N N 10 113.896 113.896 123.941 -10.045 25554 4099 1 5 . 1 1 10 10 GLN C C 10 176.273 176.273 174.721 1.552 25554 4100 1 5 . 1 1 10 10 GLN CA C 10 55.164 55.164 53.987 1.177 25554 4101 1 5 . 1 1 10 10 GLN CB C 10 28.226 28.226 32.319 -4.093 25554 4102 1 5 . 1 1 10 10 GLN H H 10 7.847 7.847 8.086 -0.239 25554 4103 1 5 . 1 1 11 11 PHE N N 11 118.744 118.744 122.072 -3.328 25554 4104 1 5 . 1 1 11 11 PHE C C 11 176.566 176.566 174.689 1.877 25554 4105 1 5 . 1 1 11 11 PHE CA C 11 59.849 59.849 56.562 3.287 25554 4106 1 5 . 1 1 11 11 PHE CB C 11 41.109 41.109 42.252 -1.143 25554 4107 1 5 . 1 1 11 11 PHE H H 11 8.262 8.262 8.937 -0.675 25554 4108 1 5 . 1 1 12 12 LYS N N 12 124.123 124.123 124.788 -0.665 25554 4109 1 5 . 1 1 12 12 LYS C C 12 177.152 177.152 174.787 2.365 25554 4110 1 5 . 1 1 12 12 LYS CA C 12 57.507 57.507 56.386 1.121 25554 4111 1 5 . 1 1 12 12 LYS CB C 12 28.811 28.811 33.858 -5.047 25554 4112 1 5 . 1 1 12 12 LYS H H 12 8.415 8.415 8.941 -0.526 25554 4113 1 5 . 1 1 13 13 LEU N N 13 112.103 112.103 129.482 -17.379 25554 4114 1 5 . 1 1 13 13 LEU C C 13 177.738 177.738 174.774 2.964 25554 4115 1 5 . 1 1 13 13 LEU CA C 13 54.579 54.579 53.572 1.007 25554 4116 1 5 . 1 1 13 13 LEU CB C 13 42.866 42.866 45.841 -2.975 25554 4117 1 5 . 1 1 13 13 LEU H H 13 6.905 6.905 9.231 -2.326 25554 4118 1 5 . 1 1 14 14 VAL N N 14 127.310 127.310 127.400 -0.090 25554 4119 1 5 . 1 1 14 14 VAL C C 14 175.393 175.393 174.278 1.115 25554 4120 1 5 . 1 1 14 14 VAL CA C 14 70.976 70.976 62.051 8.925 25554 4121 1 5 . 1 1 14 14 VAL CB C 14 28.811 28.811 32.744 -3.933 25554 4122 1 5 . 1 1 14 14 VAL H H 14 8.305 8.305 9.069 -0.764 25554 4123 1 5 . 1 1 15 15 LEU N N 15 121.400 121.400 129.109 -7.709 25554 4124 1 5 . 1 1 15 15 LEU C C 15 173.342 173.342 176.311 -2.969 25554 4125 1 5 . 1 1 15 15 LEU CA C 15 56.336 56.336 53.639 2.697 25554 4126 1 5 . 1 1 15 15 LEU CB C 15 41.695 41.695 42.878 -1.183 25554 4127 1 5 . 1 1 15 15 LEU H H 15 7.785 7.785 8.553 -0.768 25554 4128 1 5 . 1 1 16 16 VAL N N 16 121.267 121.267 115.887 5.380 25554 4129 1 5 . 1 1 16 16 VAL C C 16 178.324 178.324 174.608 3.716 25554 4130 1 5 . 1 1 16 16 VAL CA C 16 63.363 63.363 58.427 4.936 25554 4131 1 5 . 1 1 16 16 VAL CB C 16 35.839 35.839 35.414 0.425 25554 4132 1 5 . 1 1 16 16 VAL H H 16 8.935 8.935 8.822 0.113 25554 4133 1 5 . 1 1 17 17 GLY N N 17 127.908 127.908 107.053 20.855 25554 4134 1 5 . 1 1 17 17 GLY C C 17 174.514 174.514 172.140 2.374 25554 4135 1 5 . 1 1 17 17 GLY CA C 17 42.281 42.281 44.947 -2.666 25554 4136 1 5 . 1 1 17 17 GLY H H 17 9.682 9.682 6.985 2.697 25554 4137 1 5 . 1 1 18 18 ASP N N 18 119.673 119.673 121.852 -2.179 25554 4138 1 5 . 1 1 18 18 ASP C C 18 176.859 176.859 177.067 -0.208 25554 4139 1 5 . 1 1 18 18 ASP CA C 18 55.750 55.750 53.036 2.714 25554 4140 1 5 . 1 1 18 18 ASP CB C 18 39.938 39.938 43.139 -3.201 25554 4141 1 5 . 1 1 18 18 ASP H H 18 7.879 7.879 8.230 -0.351 25554 4142 1 5 . 1 1 19 19 GLY N N 19 120.670 120.670 110.128 10.542 25554 4143 1 5 . 1 1 19 19 GLY C C 19 178.324 178.324 174.731 3.593 25554 4144 1 5 . 1 1 19 19 GLY CA C 19 42.281 42.281 45.763 -3.482 25554 4145 1 5 . 1 1 19 19 GLY H H 19 8.825 8.825 8.658 0.167 25554 4146 1 5 . 1 1 20 20 GLY N N 20 129.369 129.369 111.487 17.882 25554 4147 1 5 . 1 1 20 20 GLY C C 20 174.221 174.221 175.535 -1.314 25554 4148 1 5 . 1 1 20 20 GLY CA C 20 41.695 41.695 45.408 -3.713 25554 4149 1 5 . 1 1 20 20 GLY H H 20 8.477 8.477 8.553 -0.076 25554 4150 1 5 . 1 1 21 21 THR N N 21 114.560 114.560 112.492 2.068 25554 4151 1 5 . 1 1 21 21 THR C C 21 178.617 178.617 175.131 3.486 25554 4152 1 5 . 1 1 21 21 THR CA C 21 62.192 62.192 61.033 1.159 25554 4153 1 5 . 1 1 21 21 THR CB C 21 70.390 70.390 68.915 1.475 25554 4154 1 5 . 1 1 21 21 THR H H 21 8.196 8.196 7.964 0.232 25554 4155 1 5 . 1 1 22 22 GLY N N 22 112.369 112.369 110.404 1.965 25554 4156 1 5 . 1 1 22 22 GLY C C 22 184.807 184.807 175.038 9.769 25554 4157 1 5 . 1 1 22 22 GLY CA C 22 45.209 45.209 45.687 -0.478 25554 4158 1 5 . 1 1 22 22 GLY H H 22 6.772 6.772 8.499 -1.727 25554 4159 1 5 . 1 1 23 23 LYS N N 23 124.056 124.056 120.282 3.774 25554 4160 1 5 . 1 1 23 23 LYS C C 23 176.566 176.566 177.970 -1.404 25554 4161 1 5 . 1 1 23 23 LYS CA C 23 56.921 56.921 59.504 -2.583 25554 4162 1 5 . 1 1 23 23 LYS CB C 23 35.839 35.839 32.193 3.647 25554 4163 1 5 . 1 1 23 23 LYS H H 23 8.180 8.180 8.381 -0.201 25554 4164 1 5 . 1 1 24 24 THR N N 24 114.627 114.627 114.551 0.076 25554 4165 1 5 . 1 1 24 24 THR C C 24 178.324 178.324 176.801 1.523 25554 4166 1 5 . 1 1 24 24 THR CA C 24 62.192 62.192 66.394 -4.202 25554 4167 1 5 . 1 1 24 24 THR CB C 24 71.562 71.562 68.513 3.049 25554 4168 1 5 . 1 1 24 24 THR H H 24 8.469 8.469 8.275 0.194 25554 4169 1 5 . 1 1 25 25 THR N N 25 110.377 110.377 118.585 -8.208 25554 4170 1 5 . 1 1 25 25 THR C C 25 178.324 178.324 175.934 2.390 25554 4171 1 5 . 1 1 25 25 THR CA C 25 64.534 64.534 67.277 -2.743 25554 4172 1 5 . 1 1 25 25 THR CB C 25 71.562 71.562 68.592 2.970 25554 4173 1 5 . 1 1 25 25 THR H H 25 8.415 8.415 8.166 0.249 25554 4174 1 5 . 1 1 26 26 PHE N N 26 114.295 114.295 122.528 -8.233 25554 4175 1 5 . 1 1 26 26 PHE C C 26 174.514 174.514 177.154 -2.640 25554 4176 1 5 . 1 1 26 26 PHE CA C 26 53.407 53.407 61.658 -8.251 25554 4177 1 5 . 1 1 26 26 PHE CB C 26 40.524 40.524 39.101 1.423 25554 4178 1 5 . 1 1 26 26 PHE H H 26 7.707 7.707 7.959 -0.252 25554 4179 1 5 . 1 1 27 27 VAL N N 27 123.525 123.525 118.117 5.408 25554 4180 1 5 . 1 1 27 27 VAL C C 27 178.031 178.031 178.181 -0.150 25554 4181 1 5 . 1 1 27 27 VAL CA C 27 67.462 67.462 66.154 1.308 25554 4182 1 5 . 1 1 27 27 VAL CB C 27 29.397 29.397 31.488 -2.091 25554 4183 1 5 . 1 1 27 27 VAL H H 27 6.987 6.987 8.077 -1.090 25554 4184 1 5 . 1 1 28 28 LYS N N 28 114.228 114.228 118.601 -4.373 25554 4185 1 5 . 1 1 28 28 LYS C C 28 176.566 176.566 178.302 -1.736 25554 4186 1 5 . 1 1 28 28 LYS CA C 28 58.092 58.092 58.406 -0.313 25554 4187 1 5 . 1 1 28 28 LYS CB C 28 34.082 34.082 31.955 2.127 25554 4188 1 5 . 1 1 28 28 LYS H H 28 7.429 7.429 8.128 -0.699 25554 4189 1 5 . 1 1 29 29 ARG N N 29 112.037 112.037 115.675 -3.638 25554 4190 1 5 . 1 1 29 29 ARG C C 29 174.221 174.221 176.426 -2.205 25554 4191 1 5 . 1 1 29 29 ARG CA C 29 72.147 72.147 57.467 14.680 25554 4192 1 5 . 1 1 29 29 ARG CB C 29 37.596 37.596 29.454 8.142 25554 4193 1 5 . 1 1 29 29 ARG H H 29 6.803 6.803 7.447 -0.644 25554 4194 1 5 . 1 1 30 30 HIS N N 30 122.396 122.396 119.354 3.042 25554 4195 1 5 . 1 1 30 30 HIS C C 30 172.170 172.170 176.048 -3.878 25554 4196 1 5 . 1 1 30 30 HIS CA C 30 51.651 51.651 55.353 -3.702 25554 4197 1 5 . 1 1 30 30 HIS CB C 30 30.568 30.568 29.607 0.961 25554 4198 1 5 . 1 1 30 30 HIS H H 30 7.644 7.644 7.083 0.561 25554 4199 1 5 . 1 1 31 31 LEU N N 31 110.377 110.377 127.775 -17.398 25554 4200 1 5 . 1 1 31 31 LEU C C 31 178.031 178.031 178.539 -0.508 25554 4201 1 5 . 1 1 31 31 LEU CA C 31 55.164 55.164 57.730 -2.566 25554 4202 1 5 . 1 1 31 31 LEU CB C 31 42.281 42.281 41.874 0.407 25554 4203 1 5 . 1 1 31 31 LEU H H 31 7.894 7.894 8.148 -0.254 25554 4204 1 5 . 1 1 32 32 THR N N 32 118.213 118.213 114.507 3.706 25554 4205 1 5 . 1 1 32 32 THR C C 32 178.910 178.910 176.731 2.179 25554 4206 1 5 . 1 1 32 32 THR CA C 32 63.949 63.949 67.122 -3.173 25554 4207 1 5 . 1 1 32 32 THR CB C 32 72.733 72.733 68.519 4.214 25554 4208 1 5 . 1 1 32 32 THR H H 32 7.570 7.570 8.106 -0.536 25554 4209 1 5 . 1 1 33 33 GLY N N 33 127.841 127.841 109.717 18.124 25554 4210 1 5 . 1 1 33 33 GLY C C 33 161.914 161.914 175.793 -13.879 25554 4211 1 5 . 1 1 33 33 GLY CA C 33 42.866 42.866 46.887 -4.021 25554 4212 1 5 . 1 1 33 33 GLY H H 33 9.662 9.662 8.926 0.736 25554 4213 1 5 . 1 1 34 34 GLU N N 34 122.263 122.263 122.759 -0.496 25554 4214 1 5 . 1 1 34 34 GLU C C 34 176.859 176.859 179.181 -2.322 25554 4215 1 5 . 1 1 34 34 GLU CA C 34 51.651 51.651 58.248 -6.597 25554 4216 1 5 . 1 1 34 34 GLU CB C 34 29.397 29.397 29.250 0.147 25554 4217 1 5 . 1 1 34 34 GLU H H 34 7.140 7.140 7.644 -0.504 25554 4218 1 5 . 1 1 35 35 PHE N N 35 111.838 111.838 118.063 -6.225 25554 4219 1 5 . 1 1 35 35 PHE C C 35 174.221 174.221 177.916 -3.695 25554 4220 1 5 . 1 1 35 35 PHE CA C 35 49.308 49.308 59.380 -10.072 25554 4221 1 5 . 1 1 35 35 PHE CB C 35 41.695 41.695 38.813 2.881 25554 4222 1 5 . 1 1 35 35 PHE H H 35 6.772 6.772 8.012 -1.240 25554 4223 1 5 . 1 1 36 36 GLU N N 36 124.388 124.388 119.185 5.203 25554 4224 1 5 . 1 1 36 36 GLU C C 36 176.859 176.859 174.640 2.219 25554 4225 1 5 . 1 1 36 36 GLU CA C 36 58.092 58.092 55.144 2.948 25554 4226 1 5 . 1 1 36 36 GLU CB C 36 30.568 30.568 28.153 2.415 25554 4227 1 5 . 1 1 36 36 GLU H H 36 7.734 7.734 8.477 -0.743 25554 4228 1 5 . 1 1 37 37 LYS N N 37 118.810 118.810 122.563 -3.753 25554 4229 1 5 . 1 1 37 37 LYS C C 37 172.756 172.756 175.809 -3.053 25554 4230 1 5 . 1 1 37 37 LYS CA C 37 48.137 48.137 54.916 -6.779 25554 4231 1 5 . 1 1 37 37 LYS CB C 37 37.010 37.010 33.947 3.063 25554 4232 1 5 . 1 1 37 37 LYS H H 37 8.509 8.509 7.323 1.186 25554 4233 1 5 . 1 1 38 38 LYS N N 38 108.052 108.052 127.094 -19.042 25554 4234 1 5 . 1 1 38 38 LYS C C 38 176.273 176.273 174.866 1.407 25554 4235 1 5 . 1 1 38 38 LYS CA C 38 59.849 59.849 54.905 4.944 25554 4236 1 5 . 1 1 38 38 LYS CB C 38 34.668 34.668 34.784 -0.116 25554 4237 1 5 . 1 1 38 38 LYS H H 38 7.715 7.715 8.561 -0.846 25554 4238 1 5 . 1 1 39 39 TYR N N 39 108.650 108.650 123.517 -14.867 25554 4239 1 5 . 1 1 39 39 TYR C C 39 175.686 175.686 176.574 -0.888 25554 4240 1 5 . 1 1 39 39 TYR CA C 39 61.020 61.020 58.375 2.645 25554 4241 1 5 . 1 1 39 39 TYR CB C 39 36.424 36.424 39.377 -2.953 25554 4242 1 5 . 1 1 39 39 TYR H H 39 7.362 7.362 8.837 -1.475 25554 4243 1 5 . 1 1 40 40 VAL N N 40 117.947 117.947 125.575 -7.628 25554 4244 1 5 . 1 1 40 40 VAL C C 40 175.393 175.393 175.474 -0.081 25554 4245 1 5 . 1 1 40 40 VAL CA C 40 61.020 61.020 61.204 -0.184 25554 4246 1 5 . 1 1 40 40 VAL CB C 40 31.154 31.154 32.887 -1.733 25554 4247 1 5 . 1 1 40 40 VAL H H 40 8.442 8.442 9.039 -0.597 25554 4248 1 5 . 1 1 42 42 THR N N 42 117.150 117.150 114.456 2.694 25554 4249 1 5 . 1 1 42 42 THR C C 42 178.910 178.910 176.692 2.218 25554 4250 1 5 . 1 1 42 42 THR CA C 42 60.435 60.435 64.572 -4.137 25554 4251 1 5 . 1 1 42 42 THR CB C 42 70.390 70.390 68.718 1.672 25554 4252 1 5 . 1 1 42 42 THR H H 42 8.192 8.192 8.380 -0.188 25554 4253 1 5 . 1 1 43 43 LEU N N 43 119.209 119.209 120.739 -1.530 25554 4254 1 5 . 1 1 43 43 LEU C C 43 174.807 174.807 177.549 -2.742 25554 4255 1 5 . 1 1 43 43 LEU CA C 43 57.507 57.507 55.836 1.671 25554 4256 1 5 . 1 1 43 43 LEU CB C 43 42.866 42.866 42.076 0.790 25554 4257 1 5 . 1 1 43 43 LEU H H 43 9.260 9.260 8.105 1.155 25554 4258 1 5 . 1 1 44 44 GLY N N 44 114.361 114.361 106.463 7.898 25554 4259 1 5 . 1 1 44 44 GLY C C 44 178.910 178.910 173.657 5.253 25554 4260 1 5 . 1 1 44 44 GLY CA C 44 54.579 54.579 45.792 8.787 25554 4261 1 5 . 1 1 44 44 GLY H H 44 6.979 6.979 8.095 -1.116 25554 4262 1 5 . 1 1 45 45 VAL N N 45 110.244 110.244 118.668 -8.424 25554 4263 1 5 . 1 1 45 45 VAL C C 45 174.807 174.807 174.239 0.568 25554 4264 1 5 . 1 1 45 45 VAL CA C 45 63.363 63.363 60.312 3.051 25554 4265 1 5 . 1 1 45 45 VAL CB C 45 17.099 17.099 36.390 -19.291 25554 4266 1 5 . 1 1 45 45 VAL H H 45 8.309 8.309 8.016 0.293 25554 4267 1 5 . 1 1 46 46 GLU N N 46 130.365 130.365 124.559 5.806 25554 4268 1 5 . 1 1 46 46 GLU C C 46 176.859 176.859 174.953 1.906 25554 4269 1 5 . 1 1 46 46 GLU CA C 46 55.164 55.164 53.970 1.194 25554 4270 1 5 . 1 1 46 46 GLU CB C 46 32.325 32.325 30.994 1.331 25554 4271 1 5 . 1 1 46 46 GLU H H 46 9.741 9.741 9.042 0.699 25554 4272 1 5 . 1 1 47 47 VAL N N 47 115.623 115.623 124.125 -8.502 25554 4273 1 5 . 1 1 47 47 VAL C C 47 178.324 178.324 174.003 4.321 25554 4274 1 5 . 1 1 47 47 VAL CA C 47 63.363 63.363 59.315 4.048 25554 4275 1 5 . 1 1 47 47 VAL CB C 47 32.911 32.911 33.102 -0.191 25554 4276 1 5 . 1 1 47 47 VAL H H 47 7.339 7.339 8.411 -1.072 25554 4277 1 5 . 1 1 48 48 HIS N N 48 129.236 129.236 128.184 1.052 25554 4278 1 5 . 1 1 48 48 HIS C C 48 169.240 169.240 173.082 -3.842 25554 4279 1 5 . 1 1 48 48 HIS CA C 48 49.894 49.894 52.986 -3.092 25554 4280 1 5 . 1 1 48 48 HIS CB C 48 27.640 27.640 31.718 -4.078 25554 4281 1 5 . 1 1 48 48 HIS H H 48 10.390 10.390 9.029 1.361 25554 4282 1 5 . 1 1 49 49 PRO C C 49 176.273 176.273 175.647 0.626 25554 4283 1 5 . 1 1 49 49 PRO CA C 49 62.500 62.500 63.090 -0.590 25554 4284 1 5 . 1 1 49 49 PRO CB C 49 29.974 29.974 32.057 -2.083 25554 4285 1 5 . 1 1 50 50 LEU N N 50 119.408 119.408 126.939 -7.531 25554 4286 1 5 . 1 1 50 50 LEU C C 50 177.445 177.445 174.836 2.609 25554 4287 1 5 . 1 1 50 50 LEU CA C 50 59.264 59.264 53.578 5.686 25554 4288 1 5 . 1 1 50 50 LEU CB C 50 42.281 42.281 43.172 -0.891 25554 4289 1 5 . 1 1 50 50 LEU H H 50 7.492 7.492 9.109 -1.617 25554 4290 1 5 . 1 1 51 51 VAL N N 51 117.947 117.947 122.889 -4.942 25554 4291 1 5 . 1 1 51 51 VAL C C 51 174.514 174.514 174.657 -0.143 25554 4292 1 5 . 1 1 51 51 VAL CA C 51 64.534 64.534 61.231 3.303 25554 4293 1 5 . 1 1 51 51 VAL CB C 51 37.010 37.010 33.701 3.309 25554 4294 1 5 . 1 1 51 51 VAL H H 51 7.715 7.715 7.413 0.302 25554 4295 1 5 . 1 1 52 52 PHE N N 52 124.853 124.853 126.258 -1.405 25554 4296 1 5 . 1 1 52 52 PHE C C 52 175.100 175.100 174.203 0.897 25554 4297 1 5 . 1 1 52 52 PHE CA C 52 56.336 56.336 56.426 -0.090 25554 4298 1 5 . 1 1 52 52 PHE CB C 52 39.938 39.938 42.272 -2.334 25554 4299 1 5 . 1 1 52 52 PHE H H 52 8.935 8.935 9.094 -0.159 25554 4300 1 5 . 1 1 53 53 HIS N N 53 120.603 120.603 122.615 -2.012 25554 4301 1 5 . 1 1 53 53 HIS C C 53 170.119 170.119 174.925 -4.806 25554 4302 1 5 . 1 1 53 53 HIS CA C 53 55.164 55.164 55.760 -0.596 25554 4303 1 5 . 1 1 53 53 HIS CB C 53 30.568 30.568 30.884 -0.316 25554 4304 1 5 . 1 1 53 53 HIS H H 53 8.356 8.356 8.420 -0.064 25554 4305 1 5 . 1 1 54 54 THR N N 54 112.634 112.634 116.809 -4.175 25554 4306 1 5 . 1 1 54 54 THR C C 54 178.910 178.910 175.865 3.045 25554 4307 1 5 . 1 1 54 54 THR CA C 54 63.363 63.363 59.682 3.681 25554 4308 1 5 . 1 1 54 54 THR CB C 54 72.733 72.733 71.815 0.918 25554 4309 1 5 . 1 1 54 54 THR H H 54 7.574 7.574 9.181 -1.607 25554 4310 1 5 . 1 1 55 55 ASN N N 55 131.095 131.095 121.888 9.207 25554 4311 1 5 . 1 1 55 55 ASN C C 55 176.273 176.273 176.726 -0.453 25554 4312 1 5 . 1 1 55 55 ASN CA C 55 51.065 51.065 56.093 -5.028 25554 4313 1 5 . 1 1 55 55 ASN CB C 55 37.010 37.010 38.166 -1.156 25554 4314 1 5 . 1 1 55 55 ASN H H 55 10.187 10.187 9.111 1.076 25554 4315 1 5 . 1 1 56 56 ARG N N 56 122.064 122.064 118.146 3.918 25554 4316 1 5 . 1 1 56 56 ARG C C 56 175.100 175.100 176.153 -1.053 25554 4317 1 5 . 1 1 56 56 ARG CA C 56 61.606 61.606 56.360 5.246 25554 4318 1 5 . 1 1 56 56 ARG CB C 56 32.911 32.911 30.751 2.160 25554 4319 1 5 . 1 1 56 56 ARG H H 56 7.433 7.433 8.365 -0.932 25554 4320 1 5 . 1 1 57 57 GLY N N 57 127.709 127.709 106.720 20.989 25554 4321 1 5 . 1 1 57 57 GLY C C 57 175.979 175.979 171.361 4.618 25554 4322 1 5 . 1 1 57 57 GLY CA C 57 42.281 42.281 44.509 -2.228 25554 4323 1 5 . 1 1 57 57 GLY H H 57 9.373 9.373 8.130 1.243 25554 4324 1 5 . 1 1 58 58 PRO C C 58 177.152 177.152 175.720 1.432 25554 4325 1 5 . 1 1 58 58 PRO CA C 58 65.137 65.137 62.543 2.594 25554 4326 1 5 . 1 1 58 58 PRO CB C 58 29.095 29.095 32.924 -3.829 25554 4327 1 5 . 1 1 59 59 ILE N N 59 128.638 128.638 122.746 5.892 25554 4328 1 5 . 1 1 59 59 ILE C C 59 175.979 175.979 174.598 1.381 25554 4329 1 5 . 1 1 59 59 ILE CA C 59 65.120 65.120 60.139 4.981 25554 4330 1 5 . 1 1 59 59 ILE CB C 59 40.524 40.524 41.942 -1.418 25554 4331 1 5 . 1 1 59 59 ILE H H 59 8.794 8.794 9.034 -0.240 25554 4332 1 5 . 1 1 60 60 LYS N N 60 115.756 115.756 126.454 -10.698 25554 4333 1 5 . 1 1 60 60 LYS C C 60 175.979 175.979 175.033 0.946 25554 4334 1 5 . 1 1 60 60 LYS CA C 60 56.921 56.921 54.142 2.780 25554 4335 1 5 . 1 1 60 60 LYS CB C 60 32.325 32.325 36.094 -3.769 25554 4336 1 5 . 1 1 60 60 LYS H H 60 7.253 7.253 9.046 -1.793 25554 4337 1 5 . 1 1 61 61 PHE N N 61 120.670 120.670 125.386 -4.716 25554 4338 1 5 . 1 1 61 61 PHE C C 61 175.393 175.393 175.206 0.187 25554 4339 1 5 . 1 1 61 61 PHE CA C 61 57.507 57.507 56.569 0.938 25554 4340 1 5 . 1 1 61 61 PHE CB C 61 41.109 41.109 41.680 -0.571 25554 4341 1 5 . 1 1 61 61 PHE H H 61 7.515 7.515 9.513 -1.998 25554 4342 1 5 . 1 1 62 62 ASN N N 62 119.076 119.076 123.917 -4.841 25554 4343 1 5 . 1 1 62 62 ASN C C 62 175.100 175.100 174.671 0.429 25554 4344 1 5 . 1 1 62 62 ASN CA C 62 53.407 53.407 52.415 0.992 25554 4345 1 5 . 1 1 62 62 ASN CB C 62 38.767 38.767 38.740 0.027 25554 4346 1 5 . 1 1 62 62 ASN H H 62 7.558 7.558 9.326 -1.768 25554 4347 1 5 . 1 1 63 63 VAL N N 63 106.127 106.127 123.890 -17.763 25554 4348 1 5 . 1 1 63 63 VAL C C 63 175.100 175.100 175.288 -0.188 25554 4349 1 5 . 1 1 63 63 VAL CA C 63 61.020 61.020 62.677 -1.657 25554 4350 1 5 . 1 1 63 63 VAL CB C 63 31.154 31.154 32.603 -1.449 25554 4351 1 5 . 1 1 63 63 VAL H H 63 8.113 8.113 8.785 -0.672 25554 4352 1 5 . 1 1 64 64 TRP N N 64 129.302 129.302 130.242 -0.940 25554 4353 1 5 . 1 1 64 64 TRP C C 64 177.152 177.152 175.398 1.754 25554 4354 1 5 . 1 1 64 64 TRP CA C 64 59.264 59.264 56.467 2.797 25554 4355 1 5 . 1 1 64 64 TRP CB C 64 29.397 29.397 30.309 -0.912 25554 4356 1 5 . 1 1 64 64 TRP H H 64 8.970 8.970 9.463 -0.493 25554 4357 1 5 . 1 1 65 65 ASP N N 65 119.607 119.607 125.319 -5.712 25554 4358 1 5 . 1 1 65 65 ASP C C 65 174.514 174.514 176.249 -1.735 25554 4359 1 5 . 1 1 65 65 ASP CA C 65 55.164 55.164 52.475 2.689 25554 4360 1 5 . 1 1 65 65 ASP CB C 65 41.109 41.109 44.273 -3.164 25554 4361 1 5 . 1 1 65 65 ASP H H 65 8.638 8.638 9.162 -0.524 25554 4362 1 5 . 1 1 66 66 THR N N 66 122.463 122.463 115.826 6.637 25554 4363 1 5 . 1 1 66 66 THR C C 66 178.617 178.617 175.091 3.526 25554 4364 1 5 . 1 1 66 66 THR CA C 66 68.048 68.048 61.900 6.148 25554 4365 1 5 . 1 1 66 66 THR CB C 66 71.562 71.562 69.824 1.738 25554 4366 1 5 . 1 1 66 66 THR H H 66 8.293 8.293 8.640 -0.347 25554 4367 1 5 . 1 1 67 67 ALA N N 67 104.865 104.865 125.058 -20.193 25554 4368 1 5 . 1 1 67 67 ALA C C 67 177.738 177.738 177.731 0.007 25554 4369 1 5 . 1 1 67 67 ALA CA C 67 48.722 48.722 53.877 -5.155 25554 4370 1 5 . 1 1 67 67 ALA CB C 67 14.171 14.171 18.979 -4.808 25554 4371 1 5 . 1 1 67 67 ALA H H 67 8.657 8.657 8.272 0.385 25554 4372 1 5 . 1 1 68 68 GLY N N 68 115.357 115.357 104.068 11.289 25554 4373 1 5 . 1 1 68 68 GLY C C 68 189.533 189.533 176.003 13.530 25554 4374 1 5 . 1 1 68 68 GLY CA C 68 45.209 45.209 44.830 0.379 25554 4375 1 5 . 1 1 68 68 GLY H H 68 10.969 10.969 8.342 2.627 25554 4376 1 5 . 1 1 69 69 GLN N N 69 110.111 110.111 119.570 -9.459 25554 4377 1 5 . 1 1 69 69 GLN C C 69 176.859 176.859 177.563 -0.704 25554 4378 1 5 . 1 1 69 69 GLN CA C 69 55.750 55.750 58.665 -2.915 25554 4379 1 5 . 1 1 69 69 GLN CB C 69 27.640 27.640 28.369 -0.729 25554 4380 1 5 . 1 1 69 69 GLN H H 69 8.344 8.344 8.813 -0.469 25554 4381 1 5 . 1 1 70 70 GLU N N 70 114.826 114.826 118.405 -3.579 25554 4382 1 5 . 1 1 70 70 GLU C C 70 176.273 176.273 177.938 -1.665 25554 4383 1 5 . 1 1 70 70 GLU CA C 70 57.507 57.507 58.903 -1.396 25554 4384 1 5 . 1 1 70 70 GLU CB C 70 28.811 28.811 29.465 -0.654 25554 4385 1 5 . 1 1 70 70 GLU H H 70 9.651 9.651 8.662 0.989 25554 4386 1 5 . 1 1 71 71 LYS N N 71 116.685 116.685 117.743 -1.058 25554 4387 1 5 . 1 1 71 71 LYS C C 71 175.979 175.979 178.686 -2.707 25554 4388 1 5 . 1 1 71 71 LYS CA C 71 48.722 48.722 58.629 -9.906 25554 4389 1 5 . 1 1 71 71 LYS CB C 71 37.010 37.010 32.475 4.535 25554 4390 1 5 . 1 1 71 71 LYS H H 71 8.712 8.712 7.761 0.951 25554 4391 1 5 . 1 1 72 72 PHE N N 72 114.959 114.959 118.645 -3.686 25554 4392 1 5 . 1 1 72 72 PHE C C 72 175.686 175.686 175.868 -0.182 25554 4393 1 5 . 1 1 72 72 PHE CA C 72 56.336 56.336 59.392 -3.056 25554 4394 1 5 . 1 1 72 72 PHE CB C 72 36.424 36.424 40.309 -3.885 25554 4395 1 5 . 1 1 72 72 PHE H H 72 7.965 7.965 7.846 0.119 25554 4396 1 5 . 1 1 73 73 GLY N N 73 117.084 117.084 104.506 12.578 25554 4397 1 5 . 1 1 73 73 GLY C C 73 168.068 168.068 172.442 -4.374 25554 4398 1 5 . 1 1 73 73 GLY CA C 73 42.281 42.281 44.604 -2.323 25554 4399 1 5 . 1 1 73 73 GLY H H 73 7.609 7.609 8.123 -0.514 25554 4400 1 5 . 1 1 74 74 GLY N N 74 120.537 120.537 106.077 14.460 25554 4401 1 5 . 1 1 74 74 GLY C C 74 174.514 174.514 174.576 -0.062 25554 4402 1 5 . 1 1 74 74 GLY CA C 74 44.037 44.037 44.373 -0.337 25554 4403 1 5 . 1 1 74 74 GLY H H 74 9.326 9.326 8.362 0.964 25554 4404 1 5 . 1 1 75 75 LEU N N 75 127.177 127.177 120.753 6.424 25554 4405 1 5 . 1 1 75 75 LEU C C 75 178.617 178.617 177.641 0.976 25554 4406 1 5 . 1 1 75 75 LEU CA C 75 53.407 53.407 54.424 -1.017 25554 4407 1 5 . 1 1 75 75 LEU CB C 75 42.281 42.281 43.065 -0.784 25554 4408 1 5 . 1 1 75 75 LEU H H 75 7.628 7.628 8.792 -1.164 25554 4409 1 5 . 1 1 76 76 ARG N N 76 116.486 116.486 122.059 -5.573 25554 4410 1 5 . 1 1 76 76 ARG C C 76 176.859 176.859 176.897 -0.038 25554 4411 1 5 . 1 1 76 76 ARG CA C 76 59.264 59.264 56.002 3.262 25554 4412 1 5 . 1 1 76 76 ARG CB C 76 31.154 31.154 31.356 -0.202 25554 4413 1 5 . 1 1 76 76 ARG H H 76 7.143 7.143 8.434 -1.291 25554 4414 1 5 . 1 1 77 77 ASP N N 77 129.236 129.236 122.643 6.593 25554 4415 1 5 . 1 1 77 77 ASP C C 77 177.152 177.152 178.514 -1.362 25554 4416 1 5 . 1 1 77 77 ASP CA C 77 52.822 52.822 57.714 -4.892 25554 4417 1 5 . 1 1 77 77 ASP CB C 77 41.695 41.695 40.495 1.200 25554 4418 1 5 . 1 1 77 77 ASP H H 77 8.947 8.947 8.932 0.015 25554 4419 1 5 . 1 1 78 78 GLY N N 78 127.244 127.244 107.961 19.283 25554 4420 1 5 . 1 1 78 78 GLY C C 78 173.928 173.928 175.371 -1.443 25554 4421 1 5 . 1 1 78 78 GLY CA C 78 44.623 44.623 47.092 -2.469 25554 4422 1 5 . 1 1 78 78 GLY H H 78 8.219 8.219 8.625 -0.406 25554 4423 1 5 . 1 1 79 79 TYR N N 79 120.537 120.537 122.212 -1.675 25554 4424 1 5 . 1 1 79 79 TYR C C 79 176.273 176.273 177.461 -1.188 25554 4425 1 5 . 1 1 79 79 TYR CA C 79 58.678 58.678 61.024 -2.346 25554 4426 1 5 . 1 1 79 79 TYR CB C 79 40.524 40.524 38.504 2.020 25554 4427 1 5 . 1 1 79 79 TYR H H 79 8.563 8.563 7.539 1.024 25554 4428 1 5 . 1 1 80 80 TYR N N 80 115.822 115.822 117.664 -1.842 25554 4429 1 5 . 1 1 80 80 TYR C C 80 175.979 175.979 177.038 -1.059 25554 4430 1 5 . 1 1 80 80 TYR CA C 80 58.092 58.092 61.705 -3.613 25554 4431 1 5 . 1 1 80 80 TYR CB C 80 38.181 38.181 38.501 -0.320 25554 4432 1 5 . 1 1 80 80 TYR H H 80 7.194 7.194 7.594 -0.400 25554 4433 1 5 . 1 1 81 81 ILE N N 81 120.072 120.072 118.252 1.820 25554 4434 1 5 . 1 1 81 81 ILE C C 81 177.445 177.445 176.358 1.087 25554 4435 1 5 . 1 1 81 81 ILE CA C 81 67.462 67.462 62.958 4.504 25554 4436 1 5 . 1 1 81 81 ILE CB C 81 41.109 41.109 38.055 3.054 25554 4437 1 5 . 1 1 81 81 ILE H H 81 8.837 8.837 8.286 0.551 25554 4438 1 5 . 1 1 82 82 GLN N N 82 109.580 109.580 119.688 -10.108 25554 4439 1 5 . 1 1 82 82 GLN C C 82 177.152 177.152 174.400 2.752 25554 4440 1 5 . 1 1 82 82 GLN CA C 82 56.336 56.336 56.264 0.072 25554 4441 1 5 . 1 1 82 82 GLN CB C 82 24.126 24.126 26.110 -1.984 25554 4442 1 5 . 1 1 82 82 GLN H H 82 8.493 8.493 9.077 -0.584 25554 4443 1 5 . 1 1 83 83 ALA N N 83 109.713 109.713 121.587 -11.874 25554 4444 1 5 . 1 1 83 83 ALA C C 83 175.979 175.979 176.740 -0.761 25554 4445 1 5 . 1 1 83 83 ALA CA C 83 54.579 54.579 51.501 3.078 25554 4446 1 5 . 1 1 83 83 ALA CB C 83 16.513 16.513 18.981 -2.468 25554 4447 1 5 . 1 1 83 83 ALA H H 83 6.306 6.306 7.843 -1.537 25554 4448 1 5 . 1 1 84 84 GLN N N 84 131.380 131.380 123.013 8.367 25554 4449 1 5 . 1 1 84 84 GLN C C 84 175.686 175.686 176.025 -0.339 25554 4450 1 5 . 1 1 84 84 GLN CA C 84 51.065 51.065 58.235 -7.170 25554 4451 1 5 . 1 1 84 84 GLN CB C 84 32.325 32.325 29.760 2.565 25554 4452 1 5 . 1 1 84 84 GLN H H 84 11.169 11.169 8.805 2.364 25554 4453 1 5 . 1 1 85 85 CYS N N 85 124.322 124.322 111.359 12.963 25554 4454 1 5 . 1 1 85 85 CYS C C 85 173.049 173.049 172.685 0.364 25554 4455 1 5 . 1 1 85 85 CYS CA C 85 57.507 57.507 56.151 1.356 25554 4456 1 5 . 1 1 85 85 CYS CB C 85 35.253 35.253 31.890 3.364 25554 4457 1 5 . 1 1 85 85 CYS H H 85 8.602 8.602 8.331 0.271 25554 4458 1 5 . 1 1 86 86 ALA N N 86 114.295 114.295 122.710 -8.415 25554 4459 1 5 . 1 1 86 86 ALA CA C 86 57.507 57.507 50.870 6.638 25554 4460 1 5 . 1 1 86 86 ALA CB C 86 21.784 21.784 22.791 -1.007 25554 4461 1 5 . 1 1 86 86 ALA H H 86 6.897 6.897 9.233 -2.336 25554 4462 1 5 . 1 1 87 87 ILE N N 87 120.670 120.670 122.118 -1.448 25554 4463 1 5 . 1 1 87 87 ILE C C 87 173.928 173.928 174.789 -0.861 25554 4464 1 5 . 1 1 87 87 ILE CA C 87 61.020 61.020 59.895 1.125 25554 4465 1 5 . 1 1 87 87 ILE CB C 87 39.938 39.938 40.825 -0.887 25554 4466 1 5 . 1 1 87 87 ILE H H 87 8.282 8.282 8.778 -0.496 25554 4467 1 5 . 1 1 88 88 ILE N N 88 120.205 120.205 128.505 -8.300 25554 4468 1 5 . 1 1 88 88 ILE C C 88 173.635 173.635 175.091 -1.456 25554 4469 1 5 . 1 1 88 88 ILE CA C 88 64.534 64.534 60.185 4.349 25554 4470 1 5 . 1 1 88 88 ILE CB C 88 37.596 37.596 40.048 -2.452 25554 4471 1 5 . 1 1 88 88 ILE H H 88 5.528 5.528 9.138 -3.610 25554 4472 1 5 . 1 1 89 89 MET N N 89 119.209 119.209 126.404 -7.195 25554 4473 1 5 . 1 1 89 89 MET C C 89 176.566 176.566 175.282 1.284 25554 4474 1 5 . 1 1 89 89 MET CA C 89 56.921 56.921 52.680 4.241 25554 4475 1 5 . 1 1 89 89 MET CB C 89 34.668 34.668 33.307 1.361 25554 4476 1 5 . 1 1 89 89 MET H H 89 8.164 8.164 8.910 -0.746 25554 4477 1 5 . 1 1 90 90 PHE N N 90 121.134 121.134 118.062 3.072 25554 4478 1 5 . 1 1 90 90 PHE C C 90 175.393 175.393 173.014 2.379 25554 4479 1 5 . 1 1 90 90 PHE CA C 90 60.435 60.435 55.675 4.760 25554 4480 1 5 . 1 1 90 90 PHE CB C 90 38.767 38.767 41.739 -2.972 25554 4481 1 5 . 1 1 90 90 PHE H H 90 9.334 9.334 8.637 0.697 25554 4482 1 5 . 1 1 91 91 ASP N N 91 125.185 125.185 121.611 3.574 25554 4483 1 5 . 1 1 91 91 ASP C C 91 176.566 176.566 177.725 -1.159 25554 4484 1 5 . 1 1 91 91 ASP CA C 91 52.822 52.822 53.295 -0.473 25554 4485 1 5 . 1 1 91 91 ASP CB C 91 39.938 39.938 41.702 -1.764 25554 4486 1 5 . 1 1 91 91 ASP H H 91 9.056 9.056 8.616 0.440 25554 4487 1 5 . 1 1 92 92 VAL N N 92 115.158 115.158 121.149 -5.991 25554 4488 1 5 . 1 1 92 92 VAL C C 92 173.342 173.342 177.633 -4.291 25554 4489 1 5 . 1 1 92 92 VAL CA C 92 64.534 64.534 65.161 -0.627 25554 4490 1 5 . 1 1 92 92 VAL CB C 92 37.596 37.596 31.672 5.924 25554 4491 1 5 . 1 1 92 92 VAL H H 92 7.738 7.738 8.353 -0.615 25554 4492 1 5 . 1 1 93 93 THR N N 93 112.302 112.302 116.278 -3.976 25554 4493 1 5 . 1 1 93 93 THR C C 93 177.152 177.152 174.971 2.181 25554 4494 1 5 . 1 1 93 93 THR CA C 93 64.534 64.534 66.052 -1.518 25554 4495 1 5 . 1 1 93 93 THR CB C 93 72.147 72.147 68.918 3.229 25554 4496 1 5 . 1 1 93 93 THR H H 93 7.269 7.269 8.422 -1.153 25554 4497 1 5 . 1 1 94 94 SER N N 94 122.263 122.263 114.126 8.137 25554 4498 1 5 . 1 1 94 94 SER C C 94 163.965 163.965 175.252 -11.287 25554 4499 1 5 . 1 1 94 94 SER CA C 94 59.849 59.849 55.897 3.952 25554 4500 1 5 . 1 1 94 94 SER CB C 94 62.192 62.192 63.673 -1.481 25554 4501 1 5 . 1 1 94 94 SER H H 94 7.628 7.628 7.980 -0.352 25554 4502 1 5 . 1 1 95 95 ARG N N 95 113.099 113.099 128.476 -15.377 25554 4503 1 5 . 1 1 95 95 ARG C C 95 176.273 176.273 177.972 -1.699 25554 4504 1 5 . 1 1 95 95 ARG CA C 95 53.407 53.407 59.372 -5.965 25554 4505 1 5 . 1 1 95 95 ARG CB C 95 31.154 31.154 30.090 1.064 25554 4506 1 5 . 1 1 95 95 ARG H H 95 8.102 8.102 9.128 -1.026 25554 4507 1 5 . 1 1 96 96 VAL N N 96 124.787 124.787 118.438 6.349 25554 4508 1 5 . 1 1 96 96 VAL C C 96 178.031 178.031 177.498 0.533 25554 4509 1 5 . 1 1 96 96 VAL CA C 96 68.634 68.634 66.085 2.549 25554 4510 1 5 . 1 1 96 96 VAL CB C 96 24.126 24.126 31.520 -7.394 25554 4511 1 5 . 1 1 96 96 VAL H H 96 9.146 9.146 7.772 1.374 25554 4512 1 5 . 1 1 97 97 THR N N 97 111.970 111.970 113.967 -1.997 25554 4513 1 5 . 1 1 97 97 THR C C 97 178.031 178.031 176.418 1.613 25554 4514 1 5 . 1 1 97 97 THR CA C 97 63.949 63.949 65.541 -1.592 25554 4515 1 5 . 1 1 97 97 THR CB C 97 70.390 70.390 69.025 1.365 25554 4516 1 5 . 1 1 97 97 THR H H 97 7.984 7.984 7.706 0.278 25554 4517 1 5 . 1 1 98 98 TYR N N 98 113.232 113.232 122.928 -9.696 25554 4518 1 5 . 1 1 98 98 TYR C C 98 176.273 176.273 177.246 -0.973 25554 4519 1 5 . 1 1 98 98 TYR H H 98 7.605 7.605 7.692 -0.087 25554 4520 1 5 . 1 1 99 99 LYS N N 99 121.998 121.998 118.905 3.093 25554 4521 1 5 . 1 1 99 99 LYS C C 99 174.221 174.221 178.845 -4.624 25554 4522 1 5 . 1 1 99 99 LYS CA C 99 59.264 59.264 59.298 -0.034 25554 4523 1 5 . 1 1 99 99 LYS CB C 99 34.668 34.668 32.606 2.062 25554 4524 1 5 . 1 1 99 99 LYS H H 99 8.129 8.129 7.967 0.162 25554 4525 1 5 . 1 1 100 100 ASN N N 100 111.970 111.970 118.033 -6.063 25554 4526 1 5 . 1 1 100 100 ASN C C 100 175.979 175.979 177.796 -1.817 25554 4527 1 5 . 1 1 100 100 ASN CA C 100 53.407 53.407 55.552 -2.145 25554 4528 1 5 . 1 1 100 100 ASN CB C 100 37.596 37.596 38.332 -0.736 25554 4529 1 5 . 1 1 100 100 ASN H H 100 5.778 5.778 8.063 -2.285 25554 4530 1 5 . 1 1 101 101 VAL N N 101 118.877 118.877 120.765 -1.888 25554 4531 1 5 . 1 1 101 101 VAL C C 101 173.635 173.635 174.787 -1.152 25554 4532 1 5 . 1 1 101 101 VAL CA C 101 62.777 62.777 68.689 -5.912 25554 4533 1 5 . 1 1 101 101 VAL CB C 101 27.054 27.054 29.477 -2.423 25554 4534 1 5 . 1 1 101 101 VAL H H 101 7.370 7.370 7.792 -0.422 25554 4535 1 5 . 1 1 102 102 PRO C C 102 176.566 176.566 178.788 -2.222 25554 4536 1 5 . 1 1 102 102 PRO CA C 102 62.500 62.500 66.382 -3.882 25554 4537 1 5 . 1 1 102 102 PRO CB C 102 30.853 30.853 31.072 -0.219 25554 4538 1 5 . 1 1 103 103 ASN N N 103 122.728 122.728 116.989 5.739 25554 4539 1 5 . 1 1 103 103 ASN C C 103 175.100 175.100 177.498 -2.398 25554 4540 1 5 . 1 1 103 103 ASN CA C 103 54.579 54.579 55.660 -1.081 25554 4541 1 5 . 1 1 103 103 ASN CB C 103 38.767 38.767 37.661 1.106 25554 4542 1 5 . 1 1 103 103 ASN H H 103 7.879 7.879 8.267 -0.388 25554 4543 1 5 . 1 1 104 104 TRP N N 104 132.158 132.158 121.212 10.946 25554 4544 1 5 . 1 1 104 104 TRP C C 104 176.273 176.273 178.866 -2.593 25554 4545 1 5 . 1 1 104 104 TRP CA C 104 60.435 60.435 61.299 -0.864 25554 4546 1 5 . 1 1 104 104 TRP CB C 104 29.983 29.983 29.250 0.734 25554 4547 1 5 . 1 1 104 104 TRP H H 104 9.541 9.541 7.904 1.637 25554 4548 1 5 . 1 1 105 105 HIS N N 105 120.869 120.869 119.063 1.806 25554 4549 1 5 . 1 1 105 105 HIS C C 105 177.738 177.738 177.484 0.254 25554 4550 1 5 . 1 1 105 105 HIS H H 105 6.971 6.971 8.708 -1.737 25554 4551 1 5 . 1 1 106 106 ARG N N 106 126.314 126.314 119.204 7.110 25554 4552 1 5 . 1 1 106 106 ARG C C 106 176.566 176.566 178.463 -1.897 25554 4553 1 5 . 1 1 106 106 ARG CA C 106 62.777 62.777 59.879 2.898 25554 4554 1 5 . 1 1 106 106 ARG CB C 106 29.397 29.397 30.054 -0.657 25554 4555 1 5 . 1 1 106 106 ARG H H 106 7.507 7.507 8.432 -0.925 25554 4556 1 5 . 1 1 107 107 ASP N N 107 119.076 119.076 120.181 -1.105 25554 4557 1 5 . 1 1 107 107 ASP C C 107 176.566 176.566 178.642 -2.076 25554 4558 1 5 . 1 1 107 107 ASP CA C 107 55.164 55.164 57.221 -2.057 25554 4559 1 5 . 1 1 107 107 ASP CB C 107 41.695 41.695 40.327 1.368 25554 4560 1 5 . 1 1 107 107 ASP H H 107 9.076 9.076 8.007 1.069 25554 4561 1 5 . 1 1 108 108 LEU N N 108 113.299 113.299 121.664 -8.365 25554 4562 1 5 . 1 1 108 108 LEU C C 108 176.273 176.273 177.919 -1.646 25554 4563 1 5 . 1 1 108 108 LEU CA C 108 59.264 59.264 57.770 1.494 25554 4564 1 5 . 1 1 108 108 LEU CB C 108 48.722 48.722 41.895 6.827 25554 4565 1 5 . 1 1 108 108 LEU H H 108 6.725 6.725 8.146 -1.421 25554 4566 1 5 . 1 1 109 109 VAL N N 109 121.267 121.267 119.647 1.620 25554 4567 1 5 . 1 1 109 109 VAL C C 109 175.393 175.393 178.381 -2.988 25554 4568 1 5 . 1 1 109 109 VAL CA C 109 63.949 63.949 66.241 -2.292 25554 4569 1 5 . 1 1 109 109 VAL CB C 109 32.911 32.911 31.423 1.488 25554 4570 1 5 . 1 1 109 109 VAL H H 109 8.763 8.763 8.237 0.526 25554 4571 1 5 . 1 1 110 110 ARG N N 110 112.900 112.900 119.379 -6.479 25554 4572 1 5 . 1 1 110 110 ARG C C 110 176.273 176.273 178.170 -1.897 25554 4573 1 5 . 1 1 110 110 ARG CA C 110 57.507 57.507 59.132 -1.625 25554 4574 1 5 . 1 1 110 110 ARG CB C 110 30.568 30.568 30.288 0.280 25554 4575 1 5 . 1 1 110 110 ARG H H 110 7.241 7.241 7.674 -0.433 25554 4576 1 5 . 1 1 111 111 VAL N N 111 115.556 115.556 117.017 -1.461 25554 4577 1 5 . 1 1 111 111 VAL C C 111 177.445 177.445 176.512 0.933 25554 4578 1 5 . 1 1 111 111 VAL CA C 111 59.849 59.849 65.080 -5.231 25554 4579 1 5 . 1 1 111 111 VAL CB C 111 32.911 32.911 32.611 0.300 25554 4580 1 5 . 1 1 111 111 VAL H H 111 7.566 7.566 7.702 -0.136 25554 4581 1 5 . 1 1 112 112 CYS N N 112 114.295 114.295 118.826 -4.531 25554 4582 1 5 . 1 1 112 112 CYS C C 112 169.826 169.826 172.902 -3.076 25554 4583 1 5 . 1 1 112 112 CYS CA C 112 57.507 57.507 57.873 -0.366 25554 4584 1 5 . 1 1 112 112 CYS CB C 112 35.839 35.839 30.587 5.252 25554 4585 1 5 . 1 1 112 112 CYS H H 112 7.425 7.425 8.386 -0.961 25554 4586 1 5 . 1 1 113 113 GLU N N 113 116.486 116.486 124.430 -7.944 25554 4587 1 5 . 1 1 113 113 GLU C C 113 176.566 176.566 175.727 0.839 25554 4588 1 5 . 1 1 113 113 GLU CA C 113 69.219 69.219 55.887 13.332 25554 4589 1 5 . 1 1 113 113 GLU CB C 113 30.568 30.568 31.423 -0.855 25554 4590 1 5 . 1 1 113 113 GLU H H 113 7.241 7.241 8.612 -1.371 25554 4591 1 5 . 1 1 114 114 ASN N N 114 129.302 129.302 117.388 11.914 25554 4592 1 5 . 1 1 114 114 ASN C C 114 175.100 175.100 174.587 0.513 25554 4593 1 5 . 1 1 114 114 ASN CA C 114 52.236 52.236 54.080 -1.844 25554 4594 1 5 . 1 1 114 114 ASN CB C 114 39.938 39.938 37.666 2.272 25554 4595 1 5 . 1 1 114 114 ASN H H 114 8.919 8.919 8.805 0.114 25554 4596 1 5 . 1 1 115 115 ILE N N 115 110.443 110.443 114.346 -3.903 25554 4597 1 5 . 1 1 115 115 ILE C C 115 175.100 175.100 174.654 0.446 25554 4598 1 5 . 1 1 115 115 ILE CA C 115 65.705 65.705 59.019 6.686 25554 4599 1 5 . 1 1 115 115 ILE CB C 115 39.353 39.353 38.367 0.986 25554 4600 1 5 . 1 1 115 115 ILE H H 115 9.287 9.287 7.511 1.776 25554 4601 1 5 . 1 1 116 116 PRO C C 116 175.979 175.979 175.561 0.418 25554 4602 1 5 . 1 1 116 116 PRO CA C 116 63.086 63.086 62.825 0.261 25554 4603 1 5 . 1 1 116 116 PRO CB C 116 29.681 29.681 32.534 -2.853 25554 4604 1 5 . 1 1 117 117 ILE N N 117 123.591 123.591 125.362 -1.771 25554 4605 1 5 . 1 1 117 117 ILE C C 117 174.807 174.807 175.249 -0.442 25554 4606 1 5 . 1 1 117 117 ILE CA C 117 66.291 66.291 60.210 6.081 25554 4607 1 5 . 1 1 117 117 ILE CB C 117 38.767 38.767 41.592 -2.825 25554 4608 1 5 . 1 1 117 117 ILE H H 117 7.781 7.781 8.754 -0.973 25554 4609 1 5 . 1 1 118 118 VAL N N 118 119.009 119.009 126.648 -7.639 25554 4610 1 5 . 1 1 118 118 VAL C C 118 178.324 178.324 174.047 4.277 25554 4611 1 5 . 1 1 118 118 VAL CA C 118 62.777 62.777 60.615 2.162 25554 4612 1 5 . 1 1 118 118 VAL CB C 118 31.154 31.154 35.065 -3.911 25554 4613 1 5 . 1 1 118 118 VAL H H 118 8.767 8.767 8.948 -0.181 25554 4614 1 5 . 1 1 119 119 LEU N N 119 119.408 119.408 129.402 -9.994 25554 4615 1 5 . 1 1 119 119 LEU C C 119 178.031 178.031 174.715 3.316 25554 4616 1 5 . 1 1 119 119 LEU CA C 119 42.866 42.866 53.329 -10.463 25554 4617 1 5 . 1 1 119 119 LEU CB C 119 38.767 38.767 44.781 -6.014 25554 4618 1 5 . 1 1 119 119 LEU H H 119 7.734 7.734 8.977 -1.243 25554 4619 1 5 . 1 1 120 120 CYS N N 120 113.232 113.232 125.738 -12.506 25554 4620 1 5 . 1 1 120 120 CYS C C 120 178.031 178.031 173.573 4.458 25554 4621 1 5 . 1 1 120 120 CYS H H 120 8.317 8.317 9.121 -0.804 25554 4622 1 5 . 1 1 121 121 GLY N N 121 117.349 117.349 112.225 5.124 25554 4623 1 5 . 1 1 121 121 GLY C C 121 176.851 176.851 172.435 4.416 25554 4624 1 5 . 1 1 121 121 GLY CA C 121 41.109 41.109 43.674 -2.565 25554 4625 1 5 . 1 1 121 121 GLY H H 121 7.515 7.515 8.837 -1.322 25554 4626 1 5 . 1 1 122 122 ASN N N 122 125.318 125.318 124.750 0.568 25554 4627 1 5 . 1 1 122 122 ASN C C 122 175.686 175.686 175.129 0.557 25554 4628 1 5 . 1 1 122 122 ASN CA C 122 50.479 50.479 50.493 -0.014 25554 4629 1 5 . 1 1 122 122 ASN CB C 122 39.353 39.353 41.806 -2.453 25554 4630 1 5 . 1 1 122 122 ASN H H 122 9.162 9.162 8.287 0.875 25554 4631 1 5 . 1 1 123 123 LYS N N 123 124.920 124.920 116.554 8.366 25554 4632 1 5 . 1 1 123 123 LYS C C 123 176.566 176.566 177.113 -0.547 25554 4633 1 5 . 1 1 123 123 LYS CA C 123 70.976 70.976 57.316 13.660 25554 4634 1 5 . 1 1 123 123 LYS CB C 123 35.253 35.253 30.232 5.021 25554 4635 1 5 . 1 1 123 123 LYS H H 123 8.086 8.086 8.886 -0.800 25554 4636 1 5 . 1 1 124 124 VAL N N 124 125.517 125.517 112.892 12.625 25554 4637 1 5 . 1 1 124 124 VAL C C 124 177.738 177.738 176.493 1.245 25554 4638 1 5 . 1 1 124 124 VAL CA C 124 62.777 62.777 64.369 -1.592 25554 4639 1 5 . 1 1 124 124 VAL CB C 124 33.496 33.496 31.376 2.120 25554 4640 1 5 . 1 1 124 124 VAL H H 124 9.483 9.483 7.330 2.153 25554 4641 1 5 . 1 1 125 125 ASP N N 125 119.607 119.607 120.346 -0.739 25554 4642 1 5 . 1 1 125 125 ASP C C 125 176.566 176.566 177.016 -0.450 25554 4643 1 5 . 1 1 125 125 ASP CA C 125 55.750 55.750 56.762 -1.012 25554 4644 1 5 . 1 1 125 125 ASP CB C 125 40.524 40.524 40.511 0.013 25554 4645 1 5 . 1 1 125 125 ASP H H 125 7.875 7.875 8.435 -0.560 25554 4646 1 5 . 1 1 126 126 ILE N N 126 116.088 116.088 120.781 -4.693 25554 4647 1 5 . 1 1 126 126 ILE C C 126 177.152 177.152 177.085 0.067 25554 4648 1 5 . 1 1 126 126 ILE CA C 126 66.291 66.291 61.708 4.583 25554 4649 1 5 . 1 1 126 126 ILE CB C 126 39.353 39.353 38.726 0.627 25554 4650 1 5 . 1 1 126 126 ILE H H 126 7.511 7.511 7.376 0.135 25554 4651 1 5 . 1 1 127 127 LYS N N 127 117.681 117.681 123.116 -5.435 25554 4652 1 5 . 1 1 127 127 LYS C C 127 177.152 177.152 176.989 0.163 25554 4653 1 5 . 1 1 127 127 LYS CA C 127 57.507 57.507 57.846 -0.339 25554 4654 1 5 . 1 1 127 127 LYS CB C 127 31.154 31.154 32.486 -1.332 25554 4655 1 5 . 1 1 127 127 LYS H H 127 8.059 8.059 8.259 -0.200 25554 4656 1 5 . 1 1 128 128 ASP N N 128 118.279 118.279 118.530 -0.251 25554 4657 1 5 . 1 1 128 128 ASP C C 128 176.566 176.566 175.141 1.425 25554 4658 1 5 . 1 1 128 128 ASP CA C 128 53.407 53.407 53.081 0.326 25554 4659 1 5 . 1 1 128 128 ASP CB C 128 40.524 40.524 41.438 -0.914 25554 4660 1 5 . 1 1 128 128 ASP H H 128 7.241 7.241 8.042 -0.801 25554 4661 1 5 . 1 1 129 129 ARG N N 129 118.943 118.943 126.727 -7.784 25554 4662 1 5 . 1 1 129 129 ARG C C 129 177.738 177.738 176.119 1.619 25554 4663 1 5 . 1 1 129 129 ARG CA C 129 45.794 45.794 55.604 -9.810 25554 4664 1 5 . 1 1 129 129 ARG CB C 129 31.154 31.154 30.512 0.642 25554 4665 1 5 . 1 1 129 129 ARG H H 129 8.423 8.423 8.592 -0.169 25554 4666 1 5 . 1 1 130 130 LYS N N 130 109.381 109.381 123.918 -14.537 25554 4667 1 5 . 1 1 130 130 LYS C C 130 176.566 176.566 176.597 -0.031 25554 4668 1 5 . 1 1 130 130 LYS CA C 130 55.164 55.164 57.649 -2.485 25554 4669 1 5 . 1 1 130 130 LYS CB C 130 36.424 36.424 32.862 3.562 25554 4670 1 5 . 1 1 130 130 LYS H H 130 7.296 7.296 8.575 -1.279 25554 4671 1 5 . 1 1 131 131 VAL N N 131 110.377 110.377 119.611 -9.234 25554 4672 1 5 . 1 1 131 131 VAL C C 131 178.617 178.617 174.237 4.380 25554 4673 1 5 . 1 1 131 131 VAL CA C 131 65.705 65.705 62.192 3.513 25554 4674 1 5 . 1 1 131 131 VAL CB C 131 35.839 35.839 32.229 3.610 25554 4675 1 5 . 1 1 131 131 VAL H H 131 9.283 9.283 7.910 1.373 25554 4676 1 5 . 1 1 132 132 LYS N N 132 110.310 110.310 125.412 -15.102 25554 4677 1 5 . 1 1 132 132 LYS C C 132 176.273 176.273 176.475 -0.202 25554 4678 1 5 . 1 1 132 132 LYS CA C 132 59.849 59.849 54.112 5.737 25554 4679 1 5 . 1 1 132 132 LYS CB C 132 35.253 35.253 36.260 -1.007 25554 4680 1 5 . 1 1 132 132 LYS H H 132 9.709 9.709 8.563 1.146 25554 4681 1 5 . 1 1 133 133 ALA N N 133 134.349 134.349 124.838 9.511 25554 4682 1 5 . 1 1 133 133 ALA CA C 133 51.065 51.065 54.792 -3.727 25554 4683 1 5 . 1 1 133 133 ALA CB C 133 12.999 12.999 18.197 -5.198 25554 4684 1 5 . 1 1 133 133 ALA H H 133 6.322 6.322 8.903 -2.581 25554 4685 1 5 . 1 1 134 134 LYS N N 134 117.615 117.615 118.167 -0.552 25554 4686 1 5 . 1 1 134 134 LYS C C 134 176.859 176.859 177.803 -0.944 25554 4687 1 5 . 1 1 134 134 LYS CA C 134 55.750 55.750 58.403 -2.653 25554 4688 1 5 . 1 1 134 134 LYS CB C 134 54.579 54.579 32.089 22.490 25554 4689 1 5 . 1 1 134 134 LYS H H 134 6.549 6.549 8.279 -1.730 25554 4690 1 5 . 1 1 135 135 SER N N 135 109.314 109.314 112.587 -3.273 25554 4691 1 5 . 1 1 135 135 SER C C 135 173.635 173.635 175.357 -1.722 25554 4692 1 5 . 1 1 135 135 SER CA C 135 56.336 56.336 59.379 -3.043 25554 4693 1 5 . 1 1 135 135 SER CB C 135 63.949 63.949 63.283 0.666 25554 4694 1 5 . 1 1 135 135 SER H H 135 7.840 7.840 7.699 0.141 25554 4695 1 5 . 1 1 136 136 ILE N N 136 124.123 124.123 124.776 -0.653 25554 4696 1 5 . 1 1 136 136 ILE C C 136 175.100 175.100 176.029 -0.929 25554 4697 1 5 . 1 1 136 136 ILE CA C 136 68.634 68.634 59.572 9.062 25554 4698 1 5 . 1 1 136 136 ILE CB C 136 43.452 43.452 34.653 8.799 25554 4699 1 5 . 1 1 136 136 ILE H H 136 8.098 8.098 7.325 0.773 25554 4700 1 5 . 1 1 137 137 VAL N N 137 113.232 113.232 121.055 -7.823 25554 4701 1 5 . 1 1 137 137 VAL C C 137 176.859 176.859 176.634 0.225 25554 4702 1 5 . 1 1 137 137 VAL CA C 137 64.534 64.534 62.749 1.785 25554 4703 1 5 . 1 1 137 137 VAL CB C 137 34.082 34.082 31.425 2.657 25554 4704 1 5 . 1 1 137 137 VAL H H 137 7.711 7.711 7.955 -0.244 25554 4705 1 5 . 1 1 138 138 PHE N N 138 118.279 118.279 122.804 -4.525 25554 4706 1 5 . 1 1 138 138 PHE C C 138 175.393 175.393 176.271 -0.878 25554 4707 1 5 . 1 1 138 138 PHE CA C 138 58.092 58.092 61.897 -3.805 25554 4708 1 5 . 1 1 138 138 PHE CB C 138 39.353 39.353 39.282 0.071 25554 4709 1 5 . 1 1 138 138 PHE H H 138 8.317 8.317 8.375 -0.058 25554 4710 1 5 . 1 1 139 139 HIS N N 139 107.654 107.654 115.606 -7.952 25554 4711 1 5 . 1 1 139 139 HIS C C 139 175.979 175.979 177.171 -1.192 25554 4712 1 5 . 1 1 139 139 HIS CA C 139 53.993 53.993 59.149 -5.156 25554 4713 1 5 . 1 1 139 139 HIS CB C 139 28.811 28.811 28.918 -0.107 25554 4714 1 5 . 1 1 139 139 HIS H H 139 8.016 8.016 8.707 -0.691 25554 4715 1 5 . 1 1 140 140 ARG N N 140 117.084 117.084 119.199 -2.115 25554 4716 1 5 . 1 1 140 140 ARG C C 140 176.859 176.859 178.191 -1.332 25554 4717 1 5 . 1 1 140 140 ARG CA C 140 57.507 57.507 58.785 -1.278 25554 4718 1 5 . 1 1 140 140 ARG CB C 140 31.739 31.739 29.742 1.997 25554 4719 1 5 . 1 1 140 140 ARG H H 140 8.763 8.763 6.718 2.045 25554 4720 1 5 . 1 1 141 141 LYS N N 141 115.623 115.623 117.404 -1.781 25554 4721 1 5 . 1 1 141 141 LYS C C 141 173.635 173.635 178.164 -4.529 25554 4722 1 5 . 1 1 141 141 LYS CA C 141 58.092 58.092 58.528 -0.436 25554 4723 1 5 . 1 1 141 141 LYS CB C 141 33.496 33.496 32.172 1.324 25554 4724 1 5 . 1 1 141 141 LYS H H 141 7.449 7.449 7.145 0.304 25554 4725 1 5 . 1 1 142 142 LYS N N 142 114.162 114.162 115.025 -0.863 25554 4726 1 5 . 1 1 142 142 LYS C C 142 175.979 175.979 176.576 -0.597 25554 4727 1 5 . 1 1 142 142 LYS CA C 142 51.065 51.065 55.028 -3.963 25554 4728 1 5 . 1 1 142 142 LYS CB C 142 34.668 34.668 32.283 2.385 25554 4729 1 5 . 1 1 142 142 LYS H H 142 8.982 8.982 7.248 1.734 25554 4730 1 5 . 1 1 143 143 ASN N N 143 112.103 112.103 114.757 -2.654 25554 4731 1 5 . 1 1 143 143 ASN C C 143 175.100 175.100 174.760 0.340 25554 4732 1 5 . 1 1 143 143 ASN CA C 143 53.407 53.407 53.756 -0.349 25554 4733 1 5 . 1 1 143 143 ASN CB C 143 39.938 39.938 36.795 3.143 25554 4734 1 5 . 1 1 143 143 ASN H H 143 7.402 7.402 8.590 -1.188 25554 4735 1 5 . 1 1 144 144 LEU N N 144 118.810 118.810 118.576 0.234 25554 4736 1 5 . 1 1 144 144 LEU CA C 144 53.993 53.993 55.547 -1.554 25554 4737 1 5 . 1 1 144 144 LEU CB C 144 42.866 42.866 42.632 0.234 25554 4738 1 5 . 1 1 144 144 LEU H H 144 7.793 7.793 7.406 0.387 25554 4739 1 5 . 1 1 145 145 GLN N N 145 119.607 119.607 120.589 -0.982 25554 4740 1 5 . 1 1 145 145 GLN C C 145 176.859 176.859 173.866 2.993 25554 4741 1 5 . 1 1 145 145 GLN CA C 145 55.164 55.164 53.833 1.331 25554 4742 1 5 . 1 1 145 145 GLN CB C 145 29.983 29.983 30.499 -0.516 25554 4743 1 5 . 1 1 145 145 GLN H H 145 7.014 7.014 7.870 -0.856 25554 4744 1 5 . 1 1 146 146 TYR N N 146 119.275 119.275 127.525 -8.250 25554 4745 1 5 . 1 1 146 146 TYR C C 146 174.807 174.807 174.297 0.510 25554 4746 1 5 . 1 1 146 146 TYR CA C 146 62.777 62.777 56.039 6.738 25554 4747 1 5 . 1 1 146 146 TYR CB C 146 41.109 41.109 40.446 0.663 25554 4748 1 5 . 1 1 146 146 TYR H H 146 9.350 9.350 8.284 1.066 25554 4749 1 5 . 1 1 147 147 TYR N N 147 123.658 123.658 125.863 -2.205 25554 4750 1 5 . 1 1 147 147 TYR C C 147 177.738 177.738 173.992 3.746 25554 4751 1 5 . 1 1 147 147 TYR CA C 147 58.092 58.092 56.022 2.070 25554 4752 1 5 . 1 1 147 147 TYR CB C 147 39.938 39.938 41.958 -2.020 25554 4753 1 5 . 1 1 147 147 TYR H H 147 8.340 8.340 8.595 -0.255 25554 4754 1 5 . 1 1 148 148 ASP N N 148 121.267 121.267 122.605 -1.338 25554 4755 1 5 . 1 1 148 148 ASP C C 148 176.859 176.859 175.028 1.831 25554 4756 1 5 . 1 1 148 148 ASP CA C 148 54.579 54.579 54.796 -0.217 25554 4757 1 5 . 1 1 148 148 ASP CB C 148 41.109 41.109 41.669 -0.560 25554 4758 1 5 . 1 1 148 148 ASP H H 148 8.911 8.911 8.399 0.512 25554 4759 1 5 . 1 1 149 149 ILE N N 149 119.607 119.607 124.542 -4.935 25554 4760 1 5 . 1 1 149 149 ILE C C 149 174.807 174.807 174.481 0.326 25554 4761 1 5 . 1 1 149 149 ILE CA C 149 61.020 61.020 59.974 1.046 25554 4762 1 5 . 1 1 149 149 ILE CB C 149 39.353 39.353 42.510 -3.157 25554 4763 1 5 . 1 1 149 149 ILE H H 149 8.712 8.712 9.026 -0.314 25554 4764 1 5 . 1 1 150 150 SER N N 150 117.349 117.349 120.559 -3.210 25554 4765 1 5 . 1 1 150 150 SER C C 150 175.686 175.686 174.285 1.401 25554 4766 1 5 . 1 1 150 150 SER CA C 150 60.435 60.435 56.062 4.373 25554 4767 1 5 . 1 1 150 150 SER CB C 150 62.192 62.192 64.566 -2.374 25554 4768 1 5 . 1 1 150 150 SER H H 150 8.454 8.454 8.997 -0.543 25554 4769 1 5 . 1 1 151 151 ALA N N 151 131.162 131.162 130.329 0.833 25554 4770 1 5 . 1 1 151 151 ALA C C 151 160.742 160.742 179.542 -18.800 25554 4771 1 5 . 1 1 151 151 ALA CA C 151 53.993 53.993 55.520 -1.527 25554 4772 1 5 . 1 1 151 151 ALA CB C 151 22.369 22.369 18.722 3.647 25554 4773 1 5 . 1 1 151 151 ALA H H 151 10.640 10.640 9.016 1.624 25554 4774 1 5 . 1 1 152 152 LYS N N 152 121.400 121.400 117.968 3.432 25554 4775 1 5 . 1 1 152 152 LYS C C 152 174.221 174.221 178.241 -4.020 25554 4776 1 5 . 1 1 152 152 LYS CA C 152 59.849 59.849 59.599 0.250 25554 4777 1 5 . 1 1 152 152 LYS CB C 152 34.668 34.668 32.188 2.480 25554 4778 1 5 . 1 1 152 152 LYS H H 152 9.099 9.099 8.586 0.513 25554 4779 1 5 . 1 1 153 153 SER N N 153 115.212 115.212 112.071 3.141 25554 4780 1 5 . 1 1 153 153 SER C C 153 177.152 177.152 174.013 3.139 25554 4781 1 5 . 1 1 153 153 SER CA C 153 62.192 62.192 59.051 3.141 25554 4782 1 5 . 1 1 153 153 SER CB C 153 66.291 66.291 63.504 2.787 25554 4783 1 5 . 1 1 153 153 SER H H 153 8.935 8.935 7.874 1.061 25554 4784 1 5 . 1 1 154 154 ASN N N 154 119.341 119.341 116.579 2.762 25554 4785 1 5 . 1 1 154 154 ASN C C 154 175.979 175.979 173.678 2.301 25554 4786 1 5 . 1 1 154 154 ASN CA C 154 49.894 49.894 54.645 -4.752 25554 4787 1 5 . 1 1 154 154 ASN CB C 154 39.353 39.353 36.405 2.948 25554 4788 1 5 . 1 1 154 154 ASN H H 154 7.488 7.488 7.890 -0.402 25554 4789 1 5 . 1 1 155 155 TYR N N 155 113.498 113.498 122.197 -8.699 25554 4790 1 5 . 1 1 155 155 TYR C C 155 173.928 173.928 174.995 -1.067 25554 4791 1 5 . 1 1 155 155 TYR CA C 155 56.336 56.336 58.365 -2.029 25554 4792 1 5 . 1 1 155 155 TYR CB C 155 37.596 37.596 40.054 -2.458 25554 4793 1 5 . 1 1 155 155 TYR H H 155 6.486 6.486 8.251 -1.765 25554 4794 1 5 . 1 1 156 156 ASN N N 156 122.396 122.396 123.615 -1.219 25554 4795 1 5 . 1 1 156 156 ASN C C 156 175.979 175.979 174.310 1.669 25554 4796 1 5 . 1 1 156 156 ASN CA C 156 51.651 51.651 54.041 -2.390 25554 4797 1 5 . 1 1 156 156 ASN CB C 156 38.767 38.767 36.467 2.300 25554 4798 1 5 . 1 1 156 156 ASN H H 156 8.352 8.352 8.805 -0.453 25554 4799 1 5 . 1 1 157 157 PHE N N 157 123.459 123.459 117.423 6.036 25554 4800 1 5 . 1 1 157 157 PHE C C 157 174.221 174.221 176.948 -2.727 25554 4801 1 5 . 1 1 157 157 PHE CA C 157 57.507 57.507 60.983 -3.476 25554 4802 1 5 . 1 1 157 157 PHE CB C 157 39.353 39.353 39.521 -0.168 25554 4803 1 5 . 1 1 157 157 PHE H H 157 7.429 7.429 8.263 -0.834 25554 4804 1 5 . 1 1 158 158 GLU N N 158 112.568 112.568 118.989 -6.421 25554 4805 1 5 . 1 1 158 158 GLU C C 158 176.566 176.566 178.782 -2.216 25554 4806 1 5 . 1 1 158 158 GLU CA C 158 72.147 72.147 60.315 11.832 25554 4807 1 5 . 1 1 158 158 GLU CB C 158 27.640 27.640 28.792 -1.152 25554 4808 1 5 . 1 1 158 158 GLU H H 158 7.495 7.495 9.016 -1.521 25554 4809 1 5 . 1 1 159 159 LYS N N 159 113.232 113.232 119.324 -6.092 25554 4810 1 5 . 1 1 159 159 LYS C C 159 176.566 176.566 175.784 0.782 25554 4811 1 5 . 1 1 159 159 LYS CA C 159 53.993 53.993 61.061 -7.068 25554 4812 1 5 . 1 1 159 159 LYS CB C 159 33.496 33.496 30.047 3.449 25554 4813 1 5 . 1 1 159 159 LYS H H 159 6.862 6.862 8.337 -1.475 25554 4814 1 5 . 1 1 160 160 PRO C C 160 176.273 176.273 178.409 -2.136 25554 4815 1 5 . 1 1 160 160 PRO CA C 160 64.258 64.258 66.179 -1.921 25554 4816 1 5 . 1 1 160 160 PRO CB C 160 32.318 32.318 31.200 1.118 25554 4817 1 5 . 1 1 161 161 PHE N N 161 120.271 120.271 115.450 4.821 25554 4818 1 5 . 1 1 161 161 PHE C C 161 175.100 175.100 177.752 -2.652 25554 4819 1 5 . 1 1 161 161 PHE CA C 161 56.336 56.336 61.516 -5.180 25554 4820 1 5 . 1 1 161 161 PHE CB C 161 39.353 39.353 38.145 1.208 25554 4821 1 5 . 1 1 161 161 PHE H H 161 8.074 8.074 7.346 0.728 25554 4822 1 5 . 1 1 162 162 LEU N N 162 110.177 110.177 121.092 -10.915 25554 4823 1 5 . 1 1 162 162 LEU C C 162 176.273 176.273 177.921 -1.648 25554 4824 1 5 . 1 1 162 162 LEU CA C 162 55.750 55.750 57.997 -2.247 25554 4825 1 5 . 1 1 162 162 LEU CB C 162 44.037 44.037 41.228 2.809 25554 4826 1 5 . 1 1 162 162 LEU H H 162 7.527 7.527 8.554 -1.027 25554 4827 1 5 . 1 1 163 163 TRP N N 163 123.525 123.525 121.096 2.429 25554 4828 1 5 . 1 1 163 163 TRP C C 163 177.152 177.152 178.053 -0.901 25554 4829 1 5 . 1 1 163 163 TRP CA C 163 61.606 61.606 62.434 -0.828 25554 4830 1 5 . 1 1 163 163 TRP CB C 163 28.811 28.811 29.595 -0.783 25554 4831 1 5 . 1 1 163 163 TRP H H 163 7.476 7.476 8.224 -0.748 25554 4832 1 5 . 1 1 164 164 LEU N N 164 119.740 119.740 119.048 0.692 25554 4833 1 5 . 1 1 164 164 LEU C C 164 175.686 175.686 179.023 -3.337 25554 4834 1 5 . 1 1 164 164 LEU CA C 164 61.020 61.020 57.826 3.194 25554 4835 1 5 . 1 1 164 164 LEU CB C 164 45.794 45.794 41.415 4.379 25554 4836 1 5 . 1 1 164 164 LEU H H 164 9.412 9.412 8.107 1.305 25554 4837 1 5 . 1 1 165 165 ALA N N 165 118.013 118.013 121.717 -3.704 25554 4838 1 5 . 1 1 165 165 ALA C C 165 165.723 165.723 179.546 -13.823 25554 4839 1 5 . 1 1 165 165 ALA CA C 165 52.236 52.236 55.283 -3.047 25554 4840 1 5 . 1 1 165 165 ALA CB C 165 21.784 21.784 18.193 3.591 25554 4841 1 5 . 1 1 165 165 ALA H H 165 7.707 7.707 8.439 -0.732 25554 4842 1 5 . 1 1 166 166 ARG N N 166 122.994 122.994 118.133 4.861 25554 4843 1 5 . 1 1 166 166 ARG C C 166 175.979 175.979 178.869 -2.890 25554 4844 1 5 . 1 1 166 166 ARG CA C 166 49.308 49.308 59.316 -10.008 25554 4845 1 5 . 1 1 166 166 ARG CB C 166 29.397 29.397 30.004 -0.607 25554 4846 1 5 . 1 1 166 166 ARG H H 166 8.692 8.692 8.240 0.452 25554 4847 1 5 . 1 1 167 167 LYS N N 167 112.568 112.568 119.118 -6.550 25554 4848 1 5 . 1 1 167 167 LYS C C 167 176.273 176.273 179.127 -2.854 25554 4849 1 5 . 1 1 167 167 LYS CA C 167 58.092 58.092 58.399 -0.307 25554 4850 1 5 . 1 1 167 167 LYS CB C 167 34.668 34.668 31.587 3.080 25554 4851 1 5 . 1 1 167 167 LYS H H 167 6.819 6.819 7.406 -0.587 25554 4852 1 5 . 1 1 168 168 LEU N N 168 114.959 114.959 119.100 -4.141 25554 4853 1 5 . 1 1 168 168 LEU C C 168 177.738 177.738 179.045 -1.307 25554 4854 1 5 . 1 1 168 168 LEU CA C 168 56.921 56.921 57.245 -0.323 25554 4855 1 5 . 1 1 168 168 LEU CB C 168 41.695 41.695 41.426 0.269 25554 4856 1 5 . 1 1 168 168 LEU H H 168 7.269 7.269 7.751 -0.482 25554 4857 1 5 . 1 1 169 169 ILE N N 169 124.986 124.986 117.432 7.554 25554 4858 1 5 . 1 1 169 169 ILE C C 169 171.877 171.877 177.275 -5.398 25554 4859 1 5 . 1 1 169 169 ILE CA C 169 68.048 68.048 63.311 4.737 25554 4860 1 5 . 1 1 169 169 ILE CB C 169 39.353 39.353 38.513 0.841 25554 4861 1 5 . 1 1 169 169 ILE H H 169 8.915 8.915 8.182 0.733 25554 4862 1 5 . 1 1 170 170 GLY N N 170 113.099 113.099 106.702 6.397 25554 4863 1 5 . 1 1 170 170 GLY C C 170 162.496 162.496 173.826 -11.330 25554 4864 1 5 . 1 1 170 170 GLY CA C 170 44.037 44.037 44.935 -0.898 25554 4865 1 5 . 1 1 170 170 GLY H H 170 6.686 6.686 8.116 -1.430 25554 4866 1 5 . 1 1 171 171 ASP N N 171 113.232 113.232 121.630 -8.398 25554 4867 1 5 . 1 1 171 171 ASP C C 171 178.910 178.910 176.162 2.748 25554 4868 1 5 . 1 1 171 171 ASP CA C 171 50.479 50.479 50.481 -0.002 25554 4869 1 5 . 1 1 171 171 ASP CB C 171 41.109 41.109 41.774 -0.665 25554 4870 1 5 . 1 1 171 171 ASP H H 171 6.815 6.815 8.020 -1.205 25554 4871 1 5 . 1 1 172 172 PRO C C 172 176.566 176.566 177.085 -0.519 25554 4872 1 5 . 1 1 172 172 PRO CA C 172 63.965 63.965 64.408 -0.443 25554 4873 1 5 . 1 1 172 172 PRO CB C 172 31.732 31.732 32.208 -0.476 25554 4874 1 5 . 1 1 173 173 ASN N N 173 109.779 109.779 114.048 -4.269 25554 4875 1 5 . 1 1 173 173 ASN C C 173 175.979 175.979 175.723 0.256 25554 4876 1 5 . 1 1 173 173 ASN CA C 173 54.579 54.579 53.736 0.843 25554 4877 1 5 . 1 1 173 173 ASN CB C 173 36.424 36.424 39.018 -2.594 25554 4878 1 5 . 1 1 173 173 ASN H H 173 8.016 8.016 8.568 -0.552 25554 4879 1 5 . 1 1 174 174 LEU N N 174 109.248 109.248 122.910 -13.662 25554 4880 1 5 . 1 1 174 174 LEU C C 174 176.566 176.566 175.026 1.540 25554 4881 1 5 . 1 1 174 174 LEU CA C 174 56.336 56.336 55.659 0.677 25554 4882 1 5 . 1 1 174 174 LEU CB C 174 44.037 44.037 42.657 1.380 25554 4883 1 5 . 1 1 174 174 LEU H H 174 7.871 7.871 7.172 0.699 25554 4884 1 5 . 1 1 175 175 GLU N N 175 125.185 125.185 126.305 -1.120 25554 4885 1 5 . 1 1 175 175 GLU C C 175 177.445 177.445 174.722 2.723 25554 4886 1 5 . 1 1 175 175 GLU CA C 175 76.247 76.247 54.380 21.867 25554 4887 1 5 . 1 1 175 175 GLU CB C 175 28.811 28.811 33.401 -4.590 25554 4888 1 5 . 1 1 175 175 GLU H H 175 9.127 9.127 8.232 0.895 25554 4889 1 5 . 1 1 176 176 PHE N N 176 136.873 136.873 120.609 16.264 25554 4890 1 5 . 1 1 176 176 PHE C C 176 178.617 178.617 176.000 2.617 25554 4891 1 5 . 1 1 176 176 PHE CA C 176 59.264 59.264 56.767 2.497 25554 4892 1 5 . 1 1 176 176 PHE CB C 176 44.623 44.623 39.081 5.542 25554 4893 1 5 . 1 1 176 176 PHE H H 176 10.058 10.058 8.715 1.343 25554 4894 1 5 . 1 1 177 177 VAL N N 177 118.877 118.877 124.155 -5.278 25554 4895 1 5 . 1 1 177 177 VAL C C 177 177.445 177.445 175.806 1.639 25554 4896 1 5 . 1 1 177 177 VAL CA C 177 62.777 62.777 63.653 -0.876 25554 4897 1 5 . 1 1 177 177 VAL CB C 177 34.668 34.668 32.794 1.874 25554 4898 1 5 . 1 1 177 177 VAL H H 177 7.789 7.789 9.035 -1.246 25554 4899 1 5 . 1 1 178 178 ALA N N 178 128.904 128.904 121.399 7.505 25554 4900 1 5 . 1 1 178 178 ALA CA C 178 57.507 57.507 50.884 6.623 25554 4901 1 5 . 1 1 178 178 ALA CB C 178 19.441 19.441 21.376 -1.935 25554 4902 1 5 . 1 1 178 178 ALA H H 178 7.566 7.566 7.857 -0.291 25554 4903 1 5 . 1 1 179 179 MET N N 179 120.736 120.736 123.398 -2.662 25554 4904 1 5 . 1 1 179 179 MET C C 179 176.859 176.859 174.569 2.290 25554 4905 1 5 . 1 1 179 179 MET CA C 179 56.336 56.336 53.439 2.897 25554 4906 1 5 . 1 1 179 179 MET CB C 179 34.668 34.668 32.695 1.973 25554 4907 1 5 . 1 1 179 179 MET H H 179 7.930 7.930 8.659 -0.729 25554 4908 1 5 . 1 1 180 180 PRO C C 180 177.445 177.445 175.242 2.203 25554 4909 1 5 . 1 1 180 180 PRO CA C 180 64.844 64.844 62.214 2.630 25554 4910 1 5 . 1 1 180 180 PRO CB C 180 29.974 29.974 32.242 -2.268 25554 4911 1 5 . 1 1 181 181 ALA N N 181 128.439 128.439 122.373 6.066 25554 4912 1 5 . 1 1 181 181 ALA C C 181 176.273 176.273 175.819 0.454 25554 4913 1 5 . 1 1 181 181 ALA CA C 181 58.092 58.092 51.824 6.268 25554 4914 1 5 . 1 1 181 181 ALA CB C 181 21.198 21.198 19.361 1.837 25554 4915 1 5 . 1 1 181 181 ALA H H 181 8.673 8.673 7.999 0.674 25554 4916 1 5 . 1 1 182 182 LEU N N 182 122.130 122.130 123.523 -1.393 25554 4917 1 5 . 1 1 182 182 LEU C C 182 177.445 177.445 176.729 0.716 25554 4918 1 5 . 1 1 182 182 LEU CA C 182 55.164 55.164 52.523 2.641 25554 4919 1 5 . 1 1 182 182 LEU CB C 182 42.866 42.866 45.615 -2.749 25554 4920 1 5 . 1 1 182 182 LEU H H 182 8.821 8.821 7.992 0.829 25554 4921 1 5 . 1 1 183 183 ALA N N 183 108.783 108.783 126.000 -17.217 25554 4922 1 5 . 1 1 183 183 ALA C C 183 160.742 160.742 175.371 -14.629 25554 4923 1 5 . 1 1 183 183 ALA CA C 183 51.651 51.651 50.685 0.966 25554 4924 1 5 . 1 1 183 183 ALA CB C 183 18.856 18.856 18.044 0.812 25554 4925 1 5 . 1 1 183 183 ALA H H 183 7.621 7.621 8.285 -0.664 25554 4926 1 5 . 1 1 184 184 PRO C C 184 177.152 177.152 174.835 2.317 25554 4927 1 5 . 1 1 184 184 PRO CA C 184 64.258 64.258 61.892 2.366 25554 4928 1 5 . 1 1 184 184 PRO CB C 184 29.681 29.681 31.518 -1.837 25554 4929 1 5 . 1 1 185 185 PRO C C 185 175.686 175.686 177.033 -1.347 25554 4930 1 5 . 1 1 185 185 PRO CA C 185 63.379 63.379 63.137 0.242 25554 4931 1 5 . 1 1 185 185 PRO CB C 185 35.248 35.248 32.248 3.000 25554 4932 1 5 . 1 1 186 186 GLU N N 186 104.931 104.931 123.967 -19.036 25554 4933 1 5 . 1 1 186 186 GLU C C 186 174.221 174.221 176.508 -2.287 25554 4934 1 5 . 1 1 186 186 GLU CA C 186 57.507 57.507 58.552 -1.045 25554 4935 1 5 . 1 1 186 186 GLU CB C 186 31.739 31.739 30.175 1.564 25554 4936 1 5 . 1 1 186 186 GLU H H 186 8.673 8.673 8.630 0.043 25554 4937 1 5 . 1 1 187 187 VAL N N 187 124.455 124.455 111.392 13.063 25554 4938 1 5 . 1 1 187 187 VAL C C 187 178.910 178.910 174.581 4.329 25554 4939 1 5 . 1 1 187 187 VAL CA C 187 63.363 63.363 59.810 3.553 25554 4940 1 5 . 1 1 187 187 VAL CB C 187 34.082 34.082 35.179 -1.097 25554 4941 1 5 . 1 1 187 187 VAL H H 187 8.622 8.622 7.432 1.190 25554 4942 1 5 . 1 1 188 188 VAL N N 188 128.572 128.572 123.452 5.120 25554 4943 1 5 . 1 1 188 188 VAL C C 188 178.324 178.324 174.955 3.369 25554 4944 1 5 . 1 1 188 188 VAL CA C 188 68.634 68.634 60.919 7.715 25554 4945 1 5 . 1 1 188 188 VAL CB C 188 31.154 31.154 33.108 -1.954 25554 4946 1 5 . 1 1 188 188 VAL H H 188 8.497 8.497 8.347 0.150 25554 4947 1 5 . 1 1 189 189 MET N N 189 122.795 122.795 126.572 -3.777 25554 4948 1 5 . 1 1 189 189 MET C C 189 177.445 177.445 175.258 2.187 25554 4949 1 5 . 1 1 189 189 MET CA C 189 55.164 55.164 55.981 -0.817 25554 4950 1 5 . 1 1 189 189 MET CB C 189 35.253 35.253 32.986 2.267 25554 4951 1 5 . 1 1 189 189 MET H H 189 6.991 6.991 8.488 -1.497 25554 4952 1 5 . 1 1 190 190 ASP N N 190 114.959 114.959 127.797 -12.838 25554 4953 1 5 . 1 1 190 190 ASP C C 190 175.686 175.686 175.111 0.575 25554 4954 1 5 . 1 1 190 190 ASP CA C 190 51.065 51.065 51.935 -0.870 25554 4955 1 5 . 1 1 190 190 ASP CB C 190 41.695 41.695 40.599 1.095 25554 4956 1 5 . 1 1 190 190 ASP H H 190 7.210 7.210 8.589 -1.379 25554 4957 1 5 . 1 1 191 191 PRO C C 191 176.566 176.566 178.123 -1.557 25554 4958 1 5 . 1 1 191 191 PRO CA C 191 63.965 63.965 65.574 -1.609 25554 4959 1 5 . 1 1 191 191 PRO CB C 191 31.146 31.146 31.680 -0.534 25554 4960 1 5 . 1 1 192 192 ALA N N 192 109.513 109.513 121.170 -11.657 25554 4961 1 5 . 1 1 192 192 ALA CA C 192 53.993 53.993 54.802 -0.809 25554 4962 1 5 . 1 1 192 192 ALA CB C 192 19.441 19.441 17.921 1.520 25554 4963 1 5 . 1 1 192 192 ALA H H 192 7.394 7.394 8.274 -0.880 25554 4964 1 5 . 1 1 193 193 LEU N N 193 119.009 119.009 119.808 -0.799 25554 4965 1 5 . 1 1 193 193 LEU C C 193 175.979 175.979 178.995 -3.016 25554 4966 1 5 . 1 1 193 193 LEU CA C 193 56.336 56.336 57.096 -0.760 25554 4967 1 5 . 1 1 193 193 LEU CB C 193 42.866 42.866 41.189 1.677 25554 4968 1 5 . 1 1 193 193 LEU H H 193 8.340 8.340 7.945 0.395 25554 4969 1 5 . 1 1 194 194 ALA N N 194 121.666 121.666 121.761 -0.095 25554 4970 1 5 . 1 1 194 194 ALA C C 194 166.896 166.896 179.283 -12.387 25554 4971 1 5 . 1 1 194 194 ALA CA C 194 55.164 55.164 54.830 0.334 25554 4972 1 5 . 1 1 194 194 ALA CB C 194 16.513 16.513 17.964 -1.451 25554 4973 1 5 . 1 1 194 194 ALA H H 194 8.176 8.176 8.211 -0.035 25554 4974 1 5 . 1 1 195 195 ALA N N 195 119.541 119.541 121.454 -1.913 25554 4975 1 5 . 1 1 195 195 ALA C C 195 173.928 173.928 179.336 -5.408 25554 4976 1 5 . 1 1 195 195 ALA CA C 195 57.507 57.507 54.843 2.664 25554 4977 1 5 . 1 1 195 195 ALA CB C 195 19.441 19.441 18.158 1.283 25554 4978 1 5 . 1 1 195 195 ALA H H 195 8.364 8.364 8.276 0.088 25554 4979 1 5 . 1 1 196 196 GLN N N 196 107.322 107.322 119.200 -11.878 25554 4980 1 5 . 1 1 196 196 GLN C C 196 176.273 176.273 178.227 -1.954 25554 4981 1 5 . 1 1 196 196 GLN CA C 196 56.921 56.921 59.016 -2.095 25554 4982 1 5 . 1 1 196 196 GLN CB C 196 29.983 29.983 28.668 1.315 25554 4983 1 5 . 1 1 196 196 GLN H H 196 7.910 7.910 8.159 -0.249 25554 4984 1 5 . 1 1 197 197 TYR N N 197 115.623 115.623 119.025 -3.402 25554 4985 1 5 . 1 1 197 197 TYR CA C 197 67.462 67.462 58.805 8.657 25554 4986 1 5 . 1 1 197 197 TYR CB C 197 41.695 41.695 37.674 4.021 25554 4987 1 5 . 1 1 197 197 TYR H H 197 8.196 8.196 8.230 -0.034 25554 4988 1 5 . 1 1 198 198 GLU N N 198 110.244 110.244 120.485 -10.241 25554 4989 1 5 . 1 1 198 198 GLU C C 198 176.273 176.273 179.003 -2.730 25554 4990 1 5 . 1 1 198 198 GLU CA C 198 53.407 53.407 59.500 -6.093 25554 4991 1 5 . 1 1 198 198 GLU CB C 198 30.568 30.568 29.630 0.938 25554 4992 1 5 . 1 1 198 198 GLU H H 198 7.523 7.523 8.669 -1.146 25554 4993 1 5 . 1 1 199 199 HIS N N 199 118.611 118.611 120.110 -1.499 25554 4994 1 5 . 1 1 199 199 HIS C C 199 175.686 175.686 177.324 -1.638 25554 4995 1 5 . 1 1 199 199 HIS CA C 199 56.921 56.921 59.538 -2.617 25554 4996 1 5 . 1 1 199 199 HIS CB C 199 28.226 28.226 29.797 -1.571 25554 4997 1 5 . 1 1 199 199 HIS H H 199 8.512 8.512 8.536 -0.024 25554 4998 1 5 . 1 1 200 200 ASP N N 200 120.736 120.736 120.313 0.423 25554 4999 1 5 . 1 1 200 200 ASP C C 200 176.273 176.273 178.657 -2.384 25554 5000 1 5 . 1 1 200 200 ASP CA C 200 56.921 56.921 57.404 -0.483 25554 5001 1 5 . 1 1 200 200 ASP CB C 200 40.524 40.524 40.440 0.084 25554 5002 1 5 . 1 1 200 200 ASP H H 200 7.519 7.519 8.672 -1.153 25554 5003 1 5 . 1 1 201 201 LEU N N 201 116.353 116.353 120.981 -4.628 25554 5004 1 5 . 1 1 201 201 LEU C C 201 178.910 178.910 178.306 0.604 25554 5005 1 5 . 1 1 201 201 LEU CA C 201 61.606 61.606 58.230 3.376 25554 5006 1 5 . 1 1 201 201 LEU CB C 201 41.109 41.109 42.040 -0.931 25554 5007 1 5 . 1 1 201 201 LEU H H 201 7.722 7.722 8.226 -0.504 25554 5008 1 5 . 1 1 202 202 GLU N N 202 118.080 118.080 119.659 -1.579 25554 5009 1 5 . 1 1 202 202 GLU C C 202 176.566 176.566 179.153 -2.587 25554 5010 1 5 . 1 1 202 202 GLU CA C 202 56.921 56.921 59.879 -2.958 25554 5011 1 5 . 1 1 202 202 GLU CB C 202 30.568 30.568 29.599 0.969 25554 5012 1 5 . 1 1 202 202 GLU H H 202 8.857 8.857 8.007 0.850 25554 5013 1 5 . 1 1 203 203 VAL N N 203 129.369 129.369 120.273 9.096 25554 5014 1 5 . 1 1 203 203 VAL C C 203 178.617 178.617 177.858 0.759 25554 5015 1 5 . 1 1 203 203 VAL CA C 203 64.534 64.534 66.163 -1.629 25554 5016 1 5 . 1 1 203 203 VAL CB C 203 27.640 27.640 31.362 -3.722 25554 5017 1 5 . 1 1 203 203 VAL H H 203 9.283 9.283 8.208 1.075 25554 5018 1 5 . 1 1 204 204 ALA N N 204 109.580 109.580 122.427 -12.847 25554 5019 1 5 . 1 1 204 204 ALA C C 204 176.859 176.859 180.061 -3.202 25554 5020 1 5 . 1 1 204 204 ALA CA C 204 54.579 54.579 55.290 -0.711 25554 5021 1 5 . 1 1 204 204 ALA CB C 204 18.270 18.270 18.349 -0.080 25554 5022 1 5 . 1 1 204 204 ALA H H 204 8.528 8.528 8.403 0.125 25554 5023 1 5 . 1 1 205 205 GLN N N 205 115.756 115.756 118.197 -2.441 25554 5024 1 5 . 1 1 205 205 GLN C C 205 175.979 175.979 179.122 -3.143 25554 5025 1 5 . 1 1 205 205 GLN CA C 205 48.137 48.137 58.709 -10.572 25554 5026 1 5 . 1 1 205 205 GLN CB C 205 25.883 25.883 28.216 -2.333 25554 5027 1 5 . 1 1 205 205 GLN H H 205 7.973 7.973 8.335 -0.362 25554 5028 1 5 . 1 1 206 206 THR N N 206 120.271 120.271 115.892 4.379 25554 5029 1 5 . 1 1 206 206 THR C C 206 176.273 176.273 176.316 -0.043 25554 5030 1 5 . 1 1 206 206 THR CA C 206 67.462 67.462 65.618 1.844 25554 5031 1 5 . 1 1 206 206 THR CB C 206 70.390 70.390 69.112 1.278 25554 5032 1 5 . 1 1 206 206 THR H H 206 7.585 7.585 8.073 -0.488 25554 5033 1 5 . 1 1 207 207 THR N N 207 111.970 111.970 110.040 1.930 25554 5034 1 5 . 1 1 207 207 THR C C 207 176.566 176.566 175.400 1.166 25554 5035 1 5 . 1 1 207 207 THR CA C 207 64.534 64.534 61.177 3.357 25554 5036 1 5 . 1 1 207 207 THR CB C 207 72.733 72.733 69.671 3.062 25554 5037 1 5 . 1 1 207 207 THR H H 207 7.468 7.468 8.058 -0.590 25554 5038 1 5 . 1 1 208 208 ALA N N 208 115.623 115.623 124.471 -8.848 25554 5039 1 5 . 1 1 208 208 ALA C C 208 168.947 168.947 178.865 -9.918 25554 5040 1 5 . 1 1 208 208 ALA CA C 208 55.164 55.164 54.541 0.623 25554 5041 1 5 . 1 1 208 208 ALA CB C 208 22.369 22.369 18.801 3.568 25554 5042 1 5 . 1 1 208 208 ALA H H 208 7.390 7.390 8.622 -1.232 25554 5043 1 5 . 1 1 209 209 LEU N N 209 117.814 117.814 120.875 -3.061 25554 5044 1 5 . 1 1 209 209 LEU C C 209 176.273 176.273 175.135 1.138 25554 5045 1 5 . 1 1 209 209 LEU CA C 209 58.678 58.678 57.519 1.159 25554 5046 1 5 . 1 1 209 209 LEU CB C 209 46.380 46.380 40.385 5.995 25554 5047 1 5 . 1 1 209 209 LEU H H 209 7.652 7.652 7.384 0.268 25554 5048 1 5 . 1 1 210 210 PRO C C 210 176.566 176.566 176.683 -0.117 25554 5049 1 5 . 1 1 210 210 PRO CA C 210 63.086 63.086 63.070 0.016 25554 5050 1 5 . 1 1 210 210 PRO CB C 210 31.146 31.146 32.064 -0.918 25554 5051 1 5 . 1 1 211 211 ASP N N 211 121.134 121.134 123.235 -2.101 25554 5052 1 5 . 1 1 211 211 ASP C C 211 176.273 176.273 178.522 -2.249 25554 5053 1 5 . 1 1 211 211 ASP CA C 211 52.236 52.236 57.274 -5.038 25554 5054 1 5 . 1 1 211 211 ASP CB C 211 42.281 42.281 40.678 1.603 25554 5055 1 5 . 1 1 211 211 ASP H H 211 9.510 9.510 8.684 0.826 25554 5056 1 5 . 1 1 212 212 GLU N N 212 131.162 131.162 119.331 11.831 25554 5057 1 5 . 1 1 212 212 GLU C C 212 176.273 176.273 178.715 -2.442 25554 5058 1 5 . 1 1 212 212 GLU CA C 212 55.164 55.164 59.366 -4.202 25554 5059 1 5 . 1 1 212 212 GLU CB C 212 30.568 30.568 29.528 1.040 25554 5060 1 5 . 1 1 212 212 GLU H H 212 8.399 8.399 8.443 -0.044 25554 5061 1 5 . 1 1 213 213 ASP N N 213 115.822 115.822 119.602 -3.780 25554 5062 1 5 . 1 1 213 213 ASP C C 213 174.807 174.807 177.693 -2.886 25554 5063 1 5 . 1 1 213 213 ASP CA C 213 51.065 51.065 56.875 -5.810 25554 5064 1 5 . 1 1 213 213 ASP CB C 213 41.109 41.109 40.041 1.069 25554 5065 1 5 . 1 1 213 213 ASP H H 213 10.699 10.699 8.379 2.320 25554 5066 1 5 . 1 1 214 214 ASP N N 214 112.369 112.369 118.988 -6.619 25554 5067 1 5 . 1 1 214 214 ASP C C 214 178.910 178.910 177.384 1.526 25554 5068 1 5 . 1 1 214 214 ASP CA C 214 54.579 54.579 56.133 -1.554 25554 5069 1 5 . 1 1 214 214 ASP CB C 214 39.353 39.353 40.261 -0.908 25554 5070 1 5 . 1 1 214 214 ASP H H 214 7.464 7.464 7.784 -0.320 25554 5071 1 5 . 1 1 215 215 ASP N N 215 127.244 127.244 119.283 7.961 25554 5072 1 5 . 1 1 215 215 ASP C C 215 176.859 176.859 177.442 -0.583 25554 5073 1 5 . 1 1 215 215 ASP CA C 215 54.579 54.579 55.772 -1.193 25554 5074 1 5 . 1 1 215 215 ASP CB C 215 40.524 40.524 41.043 -0.519 25554 5075 1 5 . 1 1 215 215 ASP H H 215 8.301 8.301 8.064 0.237 25554 5076 1 6 . 1 1 2 2 ALA N N 2 131.228 131.228 124.151 7.077 25554 5077 1 6 . 1 1 2 2 ALA C C 2 187.031 187.031 178.959 8.072 25554 5078 1 6 . 1 1 2 2 ALA CA C 2 53.407 53.407 54.865 -1.458 25554 5079 1 6 . 1 1 2 2 ALA CB C 2 20.027 20.027 18.004 2.023 25554 5080 1 6 . 1 1 2 2 ALA H H 2 10.644 10.644 8.419 2.225 25554 5081 1 6 . 1 1 3 3 ALA N N 3 124.521 124.521 120.109 4.412 25554 5082 1 6 . 1 1 3 3 ALA C C 3 176.566 176.566 178.388 -1.822 25554 5083 1 6 . 1 1 3 3 ALA CA C 3 49.894 49.894 54.249 -4.355 25554 5084 1 6 . 1 1 3 3 ALA CB C 3 18.270 18.270 18.317 -0.047 25554 5085 1 6 . 1 1 3 3 ALA H H 3 8.669 8.669 8.348 0.321 25554 5086 1 6 . 1 1 4 4 GLN N N 4 118.080 118.080 116.157 1.923 25554 5087 1 6 . 1 1 4 4 GLN C C 4 176.273 176.273 178.465 -2.192 25554 5088 1 6 . 1 1 4 4 GLN CA C 4 54.579 54.579 57.629 -3.050 25554 5089 1 6 . 1 1 4 4 GLN CB C 4 27.054 27.054 28.851 -1.797 25554 5090 1 6 . 1 1 4 4 GLN H H 4 8.919 8.919 8.076 0.843 25554 5091 1 6 . 1 1 5 5 GLY N N 5 121.002 121.002 106.754 14.248 25554 5092 1 6 . 1 1 5 5 GLY C C 5 181.877 181.877 174.654 7.223 25554 5093 1 6 . 1 1 5 5 GLY CA C 5 45.794 45.794 45.358 0.436 25554 5094 1 6 . 1 1 5 5 GLY H H 5 8.082 8.082 7.926 0.156 25554 5095 1 6 . 1 1 6 6 GLU N N 6 129.435 129.435 122.843 6.592 25554 5096 1 6 . 1 1 6 6 GLU C C 6 176.566 176.566 174.339 2.227 25554 5097 1 6 . 1 1 6 6 GLU CA C 6 56.336 56.336 53.937 2.399 25554 5098 1 6 . 1 1 6 6 GLU CB C 6 28.811 28.811 30.834 -2.023 25554 5099 1 6 . 1 1 6 6 GLU H H 6 9.267 9.267 7.731 1.536 25554 5100 1 6 . 1 1 7 7 PRO C C 7 176.566 176.566 175.342 1.224 25554 5101 1 6 . 1 1 7 7 PRO CA C 7 63.672 63.672 63.517 0.155 25554 5102 1 6 . 1 1 7 7 PRO CB C 7 31.146 31.146 32.034 -0.888 25554 5103 1 6 . 1 1 8 8 GLN N N 8 112.502 112.502 121.160 -8.658 25554 5104 1 6 . 1 1 8 8 GLN C C 8 177.445 177.445 174.719 2.726 25554 5105 1 6 . 1 1 8 8 GLN CA C 8 50.479 50.479 54.459 -3.979 25554 5106 1 6 . 1 1 8 8 GLN CB C 8 28.811 28.811 31.829 -3.018 25554 5107 1 6 . 1 1 8 8 GLN H H 8 6.220 6.220 8.044 -1.824 25554 5108 1 6 . 1 1 9 9 VAL N N 9 117.416 117.416 125.951 -8.535 25554 5109 1 6 . 1 1 9 9 VAL C C 9 178.324 178.324 174.440 3.884 25554 5110 1 6 . 1 1 9 9 VAL CA C 9 63.363 63.363 62.427 0.936 25554 5111 1 6 . 1 1 9 9 VAL CB C 9 34.668 34.668 32.030 2.638 25554 5112 1 6 . 1 1 9 9 VAL H H 9 6.561 6.561 8.414 -1.853 25554 5113 1 6 . 1 1 10 10 GLN N N 10 113.896 113.896 125.223 -11.327 25554 5114 1 6 . 1 1 10 10 GLN C C 10 176.273 176.273 174.568 1.705 25554 5115 1 6 . 1 1 10 10 GLN CA C 10 55.164 55.164 53.991 1.173 25554 5116 1 6 . 1 1 10 10 GLN CB C 10 28.226 28.226 32.264 -4.038 25554 5117 1 6 . 1 1 10 10 GLN H H 10 7.847 7.847 8.140 -0.293 25554 5118 1 6 . 1 1 11 11 PHE N N 11 118.744 118.744 121.952 -3.208 25554 5119 1 6 . 1 1 11 11 PHE C C 11 176.566 176.566 174.406 2.160 25554 5120 1 6 . 1 1 11 11 PHE CA C 11 59.849 59.849 56.676 3.173 25554 5121 1 6 . 1 1 11 11 PHE CB C 11 41.109 41.109 42.588 -1.479 25554 5122 1 6 . 1 1 11 11 PHE H H 11 8.262 8.262 8.949 -0.687 25554 5123 1 6 . 1 1 12 12 LYS N N 12 124.123 124.123 121.948 2.175 25554 5124 1 6 . 1 1 12 12 LYS C C 12 177.152 177.152 174.809 2.343 25554 5125 1 6 . 1 1 12 12 LYS CA C 12 57.507 57.507 55.752 1.755 25554 5126 1 6 . 1 1 12 12 LYS CB C 12 28.811 28.811 33.498 -4.687 25554 5127 1 6 . 1 1 12 12 LYS H H 12 8.415 8.415 8.821 -0.406 25554 5128 1 6 . 1 1 13 13 LEU N N 13 112.103 112.103 127.527 -15.424 25554 5129 1 6 . 1 1 13 13 LEU C C 13 177.738 177.738 174.552 3.186 25554 5130 1 6 . 1 1 13 13 LEU CA C 13 54.579 54.579 53.219 1.360 25554 5131 1 6 . 1 1 13 13 LEU CB C 13 42.866 42.866 45.665 -2.799 25554 5132 1 6 . 1 1 13 13 LEU H H 13 6.905 6.905 8.761 -1.856 25554 5133 1 6 . 1 1 14 14 VAL N N 14 127.310 127.310 127.012 0.298 25554 5134 1 6 . 1 1 14 14 VAL C C 14 175.393 175.393 173.763 1.630 25554 5135 1 6 . 1 1 14 14 VAL CA C 14 70.976 70.976 61.525 9.451 25554 5136 1 6 . 1 1 14 14 VAL CB C 14 28.811 28.811 33.314 -4.503 25554 5137 1 6 . 1 1 14 14 VAL H H 14 8.305 8.305 8.969 -0.664 25554 5138 1 6 . 1 1 15 15 LEU N N 15 121.400 121.400 130.828 -9.428 25554 5139 1 6 . 1 1 15 15 LEU C C 15 173.342 173.342 174.556 -1.214 25554 5140 1 6 . 1 1 15 15 LEU CA C 15 56.336 56.336 53.288 3.048 25554 5141 1 6 . 1 1 15 15 LEU CB C 15 41.695 41.695 44.268 -2.573 25554 5142 1 6 . 1 1 15 15 LEU H H 15 7.785 7.785 8.853 -1.068 25554 5143 1 6 . 1 1 16 16 VAL N N 16 121.267 121.267 119.454 1.813 25554 5144 1 6 . 1 1 16 16 VAL C C 16 178.324 178.324 173.705 4.619 25554 5145 1 6 . 1 1 16 16 VAL CA C 16 63.363 63.363 59.089 4.274 25554 5146 1 6 . 1 1 16 16 VAL CB C 16 35.839 35.839 34.360 1.479 25554 5147 1 6 . 1 1 16 16 VAL H H 16 8.935 8.935 8.634 0.301 25554 5148 1 6 . 1 1 17 17 GLY N N 17 127.908 127.908 108.699 19.209 25554 5149 1 6 . 1 1 17 17 GLY C C 17 174.514 174.514 172.535 1.979 25554 5150 1 6 . 1 1 17 17 GLY CA C 17 42.281 42.281 44.582 -2.301 25554 5151 1 6 . 1 1 17 17 GLY H H 17 9.682 9.682 7.577 2.105 25554 5152 1 6 . 1 1 18 18 ASP N N 18 119.673 119.673 122.292 -2.619 25554 5153 1 6 . 1 1 18 18 ASP C C 18 176.859 176.859 176.891 -0.032 25554 5154 1 6 . 1 1 18 18 ASP CA C 18 55.750 55.750 54.675 1.075 25554 5155 1 6 . 1 1 18 18 ASP CB C 18 39.938 39.938 42.550 -2.612 25554 5156 1 6 . 1 1 18 18 ASP H H 18 7.879 7.879 8.018 -0.139 25554 5157 1 6 . 1 1 19 19 GLY N N 19 120.670 120.670 108.189 12.481 25554 5158 1 6 . 1 1 19 19 GLY C C 19 178.324 178.324 175.375 2.949 25554 5159 1 6 . 1 1 19 19 GLY CA C 19 42.281 42.281 45.515 -3.234 25554 5160 1 6 . 1 1 19 19 GLY H H 19 8.825 8.825 8.608 0.217 25554 5161 1 6 . 1 1 20 20 GLY N N 20 129.369 129.369 113.431 15.938 25554 5162 1 6 . 1 1 20 20 GLY C C 20 174.221 174.221 175.291 -1.070 25554 5163 1 6 . 1 1 20 20 GLY CA C 20 41.695 41.695 45.685 -3.990 25554 5164 1 6 . 1 1 20 20 GLY H H 20 8.477 8.477 8.735 -0.258 25554 5165 1 6 . 1 1 21 21 THR N N 21 114.560 114.560 115.107 -0.547 25554 5166 1 6 . 1 1 21 21 THR C C 21 178.617 178.617 174.996 3.621 25554 5167 1 6 . 1 1 21 21 THR CA C 21 62.192 62.192 62.751 -0.559 25554 5168 1 6 . 1 1 21 21 THR CB C 21 70.390 70.390 68.936 1.454 25554 5169 1 6 . 1 1 21 21 THR H H 21 8.196 8.196 8.055 0.141 25554 5170 1 6 . 1 1 22 22 GLY N N 22 112.369 112.369 108.993 3.376 25554 5171 1 6 . 1 1 22 22 GLY C C 22 184.807 184.807 175.506 9.301 25554 5172 1 6 . 1 1 22 22 GLY CA C 22 45.209 45.209 45.697 -0.488 25554 5173 1 6 . 1 1 22 22 GLY H H 22 6.772 6.772 8.422 -1.650 25554 5174 1 6 . 1 1 23 23 LYS N N 23 124.056 124.056 120.734 3.322 25554 5175 1 6 . 1 1 23 23 LYS C C 23 176.566 176.566 177.873 -1.307 25554 5176 1 6 . 1 1 23 23 LYS CA C 23 56.921 56.921 59.578 -2.657 25554 5177 1 6 . 1 1 23 23 LYS CB C 23 35.839 35.839 31.865 3.974 25554 5178 1 6 . 1 1 23 23 LYS H H 23 8.180 8.180 8.283 -0.103 25554 5179 1 6 . 1 1 24 24 THR N N 24 114.627 114.627 115.223 -0.596 25554 5180 1 6 . 1 1 24 24 THR C C 24 178.324 178.324 176.627 1.697 25554 5181 1 6 . 1 1 24 24 THR CA C 24 62.192 62.192 66.625 -4.433 25554 5182 1 6 . 1 1 24 24 THR CB C 24 71.562 71.562 68.615 2.947 25554 5183 1 6 . 1 1 24 24 THR H H 24 8.469 8.469 8.463 0.006 25554 5184 1 6 . 1 1 25 25 THR N N 25 110.377 110.377 115.149 -4.772 25554 5185 1 6 . 1 1 25 25 THR C C 25 178.324 178.324 176.117 2.207 25554 5186 1 6 . 1 1 25 25 THR CA C 25 64.534 64.534 65.734 -1.200 25554 5187 1 6 . 1 1 25 25 THR CB C 25 71.562 71.562 68.445 3.117 25554 5188 1 6 . 1 1 25 25 THR H H 25 8.415 8.415 8.010 0.405 25554 5189 1 6 . 1 1 26 26 PHE N N 26 114.295 114.295 122.939 -8.644 25554 5190 1 6 . 1 1 26 26 PHE C C 26 174.514 174.514 177.038 -2.524 25554 5191 1 6 . 1 1 26 26 PHE CA C 26 53.407 53.407 61.612 -8.205 25554 5192 1 6 . 1 1 26 26 PHE CB C 26 40.524 40.524 39.289 1.235 25554 5193 1 6 . 1 1 26 26 PHE H H 26 7.707 7.707 8.150 -0.443 25554 5194 1 6 . 1 1 27 27 VAL N N 27 123.525 123.525 117.481 6.044 25554 5195 1 6 . 1 1 27 27 VAL C C 27 178.031 178.031 178.050 -0.019 25554 5196 1 6 . 1 1 27 27 VAL CA C 27 67.462 67.462 65.997 1.465 25554 5197 1 6 . 1 1 27 27 VAL CB C 27 29.397 29.397 31.517 -2.120 25554 5198 1 6 . 1 1 27 27 VAL H H 27 6.987 6.987 8.267 -1.280 25554 5199 1 6 . 1 1 28 28 LYS N N 28 114.228 114.228 118.289 -4.061 25554 5200 1 6 . 1 1 28 28 LYS C C 28 176.566 176.566 178.142 -1.576 25554 5201 1 6 . 1 1 28 28 LYS CA C 28 58.092 58.092 58.064 0.028 25554 5202 1 6 . 1 1 28 28 LYS CB C 28 34.082 34.082 31.849 2.233 25554 5203 1 6 . 1 1 28 28 LYS H H 28 7.429 7.429 7.767 -0.338 25554 5204 1 6 . 1 1 29 29 ARG N N 29 112.037 112.037 116.602 -4.565 25554 5205 1 6 . 1 1 29 29 ARG C C 29 174.221 174.221 176.368 -2.147 25554 5206 1 6 . 1 1 29 29 ARG CA C 29 72.147 72.147 57.516 14.631 25554 5207 1 6 . 1 1 29 29 ARG CB C 29 37.596 37.596 29.428 8.168 25554 5208 1 6 . 1 1 29 29 ARG H H 29 6.803 6.803 7.557 -0.754 25554 5209 1 6 . 1 1 30 30 HIS N N 30 122.396 122.396 119.830 2.566 25554 5210 1 6 . 1 1 30 30 HIS C C 30 172.170 172.170 176.122 -3.952 25554 5211 1 6 . 1 1 30 30 HIS CA C 30 51.651 51.651 56.088 -4.437 25554 5212 1 6 . 1 1 30 30 HIS CB C 30 30.568 30.568 29.116 1.452 25554 5213 1 6 . 1 1 30 30 HIS H H 30 7.644 7.644 7.054 0.590 25554 5214 1 6 . 1 1 31 31 LEU N N 31 110.377 110.377 127.816 -17.439 25554 5215 1 6 . 1 1 31 31 LEU C C 31 178.031 178.031 178.578 -0.547 25554 5216 1 6 . 1 1 31 31 LEU CA C 31 55.164 55.164 57.741 -2.577 25554 5217 1 6 . 1 1 31 31 LEU CB C 31 42.281 42.281 41.829 0.452 25554 5218 1 6 . 1 1 31 31 LEU H H 31 7.894 7.894 8.467 -0.573 25554 5219 1 6 . 1 1 32 32 THR N N 32 118.213 118.213 114.964 3.249 25554 5220 1 6 . 1 1 32 32 THR C C 32 178.910 178.910 176.800 2.110 25554 5221 1 6 . 1 1 32 32 THR CA C 32 63.949 63.949 67.372 -3.423 25554 5222 1 6 . 1 1 32 32 THR CB C 32 72.733 72.733 68.476 4.257 25554 5223 1 6 . 1 1 32 32 THR H H 32 7.570 7.570 8.013 -0.443 25554 5224 1 6 . 1 1 33 33 GLY N N 33 127.841 127.841 109.570 18.271 25554 5225 1 6 . 1 1 33 33 GLY C C 33 161.914 161.914 175.942 -14.028 25554 5226 1 6 . 1 1 33 33 GLY CA C 33 42.866 42.866 46.911 -4.045 25554 5227 1 6 . 1 1 33 33 GLY H H 33 9.662 9.662 8.373 1.289 25554 5228 1 6 . 1 1 34 34 GLU N N 34 122.263 122.263 122.744 -0.481 25554 5229 1 6 . 1 1 34 34 GLU C C 34 176.859 176.859 179.147 -2.288 25554 5230 1 6 . 1 1 34 34 GLU CA C 34 51.651 51.651 58.669 -7.018 25554 5231 1 6 . 1 1 34 34 GLU CB C 34 29.397 29.397 29.335 0.062 25554 5232 1 6 . 1 1 34 34 GLU H H 34 7.140 7.140 7.869 -0.729 25554 5233 1 6 . 1 1 35 35 PHE N N 35 111.838 111.838 117.558 -5.720 25554 5234 1 6 . 1 1 35 35 PHE C C 35 174.221 174.221 178.099 -3.878 25554 5235 1 6 . 1 1 35 35 PHE CA C 35 49.308 49.308 59.406 -10.098 25554 5236 1 6 . 1 1 35 35 PHE CB C 35 41.695 41.695 38.846 2.849 25554 5237 1 6 . 1 1 35 35 PHE H H 35 6.772 6.772 7.913 -1.141 25554 5238 1 6 . 1 1 36 36 GLU N N 36 124.388 124.388 118.843 5.545 25554 5239 1 6 . 1 1 36 36 GLU C C 36 176.859 176.859 174.862 1.997 25554 5240 1 6 . 1 1 36 36 GLU CA C 36 58.092 58.092 55.254 2.838 25554 5241 1 6 . 1 1 36 36 GLU CB C 36 30.568 30.568 28.247 2.321 25554 5242 1 6 . 1 1 36 36 GLU H H 36 7.734 7.734 8.544 -0.810 25554 5243 1 6 . 1 1 37 37 LYS N N 37 118.810 118.810 122.391 -3.581 25554 5244 1 6 . 1 1 37 37 LYS C C 37 172.756 172.756 176.139 -3.383 25554 5245 1 6 . 1 1 37 37 LYS CA C 37 48.137 48.137 55.054 -6.917 25554 5246 1 6 . 1 1 37 37 LYS CB C 37 37.010 37.010 33.816 3.194 25554 5247 1 6 . 1 1 37 37 LYS H H 37 8.509 8.509 7.444 1.065 25554 5248 1 6 . 1 1 38 38 LYS N N 38 108.052 108.052 127.740 -19.688 25554 5249 1 6 . 1 1 38 38 LYS C C 38 176.273 176.273 175.220 1.053 25554 5250 1 6 . 1 1 38 38 LYS CA C 38 59.849 59.849 55.297 4.553 25554 5251 1 6 . 1 1 38 38 LYS CB C 38 34.668 34.668 34.250 0.418 25554 5252 1 6 . 1 1 38 38 LYS H H 38 7.715 7.715 8.629 -0.914 25554 5253 1 6 . 1 1 39 39 TYR N N 39 108.650 108.650 122.427 -13.777 25554 5254 1 6 . 1 1 39 39 TYR C C 39 175.686 175.686 176.305 -0.619 25554 5255 1 6 . 1 1 39 39 TYR CA C 39 61.020 61.020 57.799 3.221 25554 5256 1 6 . 1 1 39 39 TYR CB C 39 36.424 36.424 40.368 -3.944 25554 5257 1 6 . 1 1 39 39 TYR H H 39 7.362 7.362 8.666 -1.304 25554 5258 1 6 . 1 1 40 40 VAL N N 40 117.947 117.947 125.725 -7.778 25554 5259 1 6 . 1 1 40 40 VAL C C 40 175.393 175.393 175.399 -0.006 25554 5260 1 6 . 1 1 40 40 VAL CA C 40 61.020 61.020 60.998 0.022 25554 5261 1 6 . 1 1 40 40 VAL CB C 40 31.154 31.154 32.731 -1.577 25554 5262 1 6 . 1 1 40 40 VAL H H 40 8.442 8.442 8.924 -0.482 25554 5263 1 6 . 1 1 42 42 THR N N 42 117.150 117.150 114.253 2.897 25554 5264 1 6 . 1 1 42 42 THR C C 42 178.910 178.910 176.594 2.316 25554 5265 1 6 . 1 1 42 42 THR CA C 42 60.435 60.435 64.485 -4.050 25554 5266 1 6 . 1 1 42 42 THR CB C 42 70.390 70.390 68.703 1.688 25554 5267 1 6 . 1 1 42 42 THR H H 42 8.192 8.192 8.360 -0.168 25554 5268 1 6 . 1 1 43 43 LEU N N 43 119.209 119.209 120.896 -1.687 25554 5269 1 6 . 1 1 43 43 LEU C C 43 174.807 174.807 177.564 -2.757 25554 5270 1 6 . 1 1 43 43 LEU CA C 43 57.507 57.507 55.648 1.859 25554 5271 1 6 . 1 1 43 43 LEU CB C 43 42.866 42.866 41.893 0.973 25554 5272 1 6 . 1 1 43 43 LEU H H 43 9.260 9.260 7.959 1.301 25554 5273 1 6 . 1 1 44 44 GLY N N 44 114.361 114.361 106.297 8.064 25554 5274 1 6 . 1 1 44 44 GLY C C 44 178.910 178.910 173.665 5.245 25554 5275 1 6 . 1 1 44 44 GLY CA C 44 54.579 54.579 45.677 8.902 25554 5276 1 6 . 1 1 44 44 GLY H H 44 6.979 6.979 7.989 -1.010 25554 5277 1 6 . 1 1 45 45 VAL N N 45 110.244 110.244 119.705 -9.461 25554 5278 1 6 . 1 1 45 45 VAL C C 45 174.807 174.807 174.313 0.494 25554 5279 1 6 . 1 1 45 45 VAL CA C 45 63.363 63.363 60.367 2.995 25554 5280 1 6 . 1 1 45 45 VAL CB C 45 17.099 17.099 34.384 -17.285 25554 5281 1 6 . 1 1 45 45 VAL H H 45 8.309 8.309 7.729 0.580 25554 5282 1 6 . 1 1 46 46 GLU N N 46 130.365 130.365 126.377 3.988 25554 5283 1 6 . 1 1 46 46 GLU C C 46 176.859 176.859 175.845 1.014 25554 5284 1 6 . 1 1 46 46 GLU CA C 46 55.164 55.164 53.504 1.660 25554 5285 1 6 . 1 1 46 46 GLU CB C 46 32.325 32.325 31.192 1.133 25554 5286 1 6 . 1 1 46 46 GLU H H 46 9.741 9.741 8.804 0.937 25554 5287 1 6 . 1 1 47 47 VAL N N 47 115.623 115.623 125.614 -9.991 25554 5288 1 6 . 1 1 47 47 VAL C C 47 178.324 178.324 175.228 3.096 25554 5289 1 6 . 1 1 47 47 VAL CA C 47 63.363 63.363 61.421 1.942 25554 5290 1 6 . 1 1 47 47 VAL CB C 47 32.911 32.911 32.456 0.455 25554 5291 1 6 . 1 1 47 47 VAL H H 47 7.339 7.339 8.648 -1.309 25554 5292 1 6 . 1 1 48 48 HIS N N 48 129.236 129.236 127.856 1.380 25554 5293 1 6 . 1 1 48 48 HIS C C 48 169.240 169.240 173.378 -4.138 25554 5294 1 6 . 1 1 48 48 HIS CA C 48 49.894 49.894 53.681 -3.787 25554 5295 1 6 . 1 1 48 48 HIS CB C 48 27.640 27.640 31.436 -3.796 25554 5296 1 6 . 1 1 48 48 HIS H H 48 10.390 10.390 9.262 1.128 25554 5297 1 6 . 1 1 49 49 PRO C C 49 176.273 176.273 175.608 0.665 25554 5298 1 6 . 1 1 49 49 PRO CA C 49 62.500 62.500 63.048 -0.548 25554 5299 1 6 . 1 1 49 49 PRO CB C 49 29.974 29.974 32.215 -2.241 25554 5300 1 6 . 1 1 50 50 LEU N N 50 119.408 119.408 127.736 -8.328 25554 5301 1 6 . 1 1 50 50 LEU C C 50 177.445 177.445 175.352 2.093 25554 5302 1 6 . 1 1 50 50 LEU CA C 50 59.264 59.264 53.659 5.605 25554 5303 1 6 . 1 1 50 50 LEU CB C 50 42.281 42.281 42.727 -0.446 25554 5304 1 6 . 1 1 50 50 LEU H H 50 7.492 7.492 9.002 -1.510 25554 5305 1 6 . 1 1 51 51 VAL N N 51 117.947 117.947 123.284 -5.337 25554 5306 1 6 . 1 1 51 51 VAL C C 51 174.514 174.514 175.052 -0.538 25554 5307 1 6 . 1 1 51 51 VAL CA C 51 64.534 64.534 61.888 2.646 25554 5308 1 6 . 1 1 51 51 VAL CB C 51 37.010 37.010 32.885 4.125 25554 5309 1 6 . 1 1 51 51 VAL H H 51 7.715 7.715 8.102 -0.387 25554 5310 1 6 . 1 1 52 52 PHE N N 52 124.853 124.853 126.561 -1.708 25554 5311 1 6 . 1 1 52 52 PHE C C 52 175.100 175.100 174.072 1.028 25554 5312 1 6 . 1 1 52 52 PHE CA C 52 56.336 56.336 56.337 -0.001 25554 5313 1 6 . 1 1 52 52 PHE CB C 52 39.938 39.938 42.058 -2.120 25554 5314 1 6 . 1 1 52 52 PHE H H 52 8.935 8.935 9.226 -0.291 25554 5315 1 6 . 1 1 53 53 HIS N N 53 120.603 120.603 122.410 -1.807 25554 5316 1 6 . 1 1 53 53 HIS C C 53 170.119 170.119 175.376 -5.257 25554 5317 1 6 . 1 1 53 53 HIS CA C 53 55.164 55.164 55.296 -0.132 25554 5318 1 6 . 1 1 53 53 HIS CB C 53 30.568 30.568 31.163 -0.595 25554 5319 1 6 . 1 1 53 53 HIS H H 53 8.356 8.356 8.463 -0.107 25554 5320 1 6 . 1 1 54 54 THR N N 54 112.634 112.634 117.669 -5.035 25554 5321 1 6 . 1 1 54 54 THR C C 54 178.910 178.910 176.450 2.460 25554 5322 1 6 . 1 1 54 54 THR CA C 54 63.363 63.363 59.584 3.779 25554 5323 1 6 . 1 1 54 54 THR CB C 54 72.733 72.733 71.578 1.155 25554 5324 1 6 . 1 1 54 54 THR H H 54 7.574 7.574 9.315 -1.741 25554 5325 1 6 . 1 1 55 55 ASN N N 55 131.095 131.095 120.712 10.383 25554 5326 1 6 . 1 1 55 55 ASN C C 55 176.273 176.273 176.872 -0.599 25554 5327 1 6 . 1 1 55 55 ASN CA C 55 51.065 51.065 56.249 -5.184 25554 5328 1 6 . 1 1 55 55 ASN CB C 55 37.010 37.010 38.413 -1.403 25554 5329 1 6 . 1 1 55 55 ASN H H 55 10.187 10.187 8.972 1.215 25554 5330 1 6 . 1 1 56 56 ARG N N 56 122.064 122.064 118.520 3.544 25554 5331 1 6 . 1 1 56 56 ARG C C 56 175.100 175.100 175.903 -0.803 25554 5332 1 6 . 1 1 56 56 ARG CA C 56 61.606 61.606 55.890 5.716 25554 5333 1 6 . 1 1 56 56 ARG CB C 56 32.911 32.911 30.427 2.484 25554 5334 1 6 . 1 1 56 56 ARG H H 56 7.433 7.433 7.973 -0.540 25554 5335 1 6 . 1 1 57 57 GLY N N 57 127.709 127.709 108.036 19.673 25554 5336 1 6 . 1 1 57 57 GLY C C 57 175.979 175.979 171.638 4.341 25554 5337 1 6 . 1 1 57 57 GLY CA C 57 42.281 42.281 44.518 -2.237 25554 5338 1 6 . 1 1 57 57 GLY H H 57 9.373 9.373 7.848 1.525 25554 5339 1 6 . 1 1 58 58 PRO C C 58 177.152 177.152 175.926 1.226 25554 5340 1 6 . 1 1 58 58 PRO CA C 58 65.137 65.137 62.487 2.650 25554 5341 1 6 . 1 1 58 58 PRO CB C 58 29.095 29.095 32.566 -3.471 25554 5342 1 6 . 1 1 59 59 ILE N N 59 128.638 128.638 122.448 6.190 25554 5343 1 6 . 1 1 59 59 ILE C C 59 175.979 175.979 174.459 1.520 25554 5344 1 6 . 1 1 59 59 ILE CA C 59 65.120 65.120 60.302 4.818 25554 5345 1 6 . 1 1 59 59 ILE CB C 59 40.524 40.524 41.972 -1.448 25554 5346 1 6 . 1 1 59 59 ILE H H 59 8.794 8.794 8.976 -0.182 25554 5347 1 6 . 1 1 60 60 LYS N N 60 115.756 115.756 126.943 -11.187 25554 5348 1 6 . 1 1 60 60 LYS C C 60 175.979 175.979 174.864 1.115 25554 5349 1 6 . 1 1 60 60 LYS CA C 60 56.921 56.921 54.183 2.738 25554 5350 1 6 . 1 1 60 60 LYS CB C 60 32.325 32.325 35.774 -3.449 25554 5351 1 6 . 1 1 60 60 LYS H H 60 7.253 7.253 8.861 -1.608 25554 5352 1 6 . 1 1 61 61 PHE N N 61 120.670 120.670 125.967 -5.297 25554 5353 1 6 . 1 1 61 61 PHE C C 61 175.393 175.393 175.336 0.057 25554 5354 1 6 . 1 1 61 61 PHE CA C 61 57.507 57.507 56.524 0.983 25554 5355 1 6 . 1 1 61 61 PHE CB C 61 41.109 41.109 40.849 0.260 25554 5356 1 6 . 1 1 61 61 PHE H H 61 7.515 7.515 9.463 -1.948 25554 5357 1 6 . 1 1 62 62 ASN N N 62 119.076 119.076 124.015 -4.939 25554 5358 1 6 . 1 1 62 62 ASN C C 62 175.100 175.100 174.559 0.541 25554 5359 1 6 . 1 1 62 62 ASN CA C 62 53.407 53.407 52.759 0.648 25554 5360 1 6 . 1 1 62 62 ASN CB C 62 38.767 38.767 38.960 -0.193 25554 5361 1 6 . 1 1 62 62 ASN H H 62 7.558 7.558 9.171 -1.613 25554 5362 1 6 . 1 1 63 63 VAL N N 63 106.127 106.127 124.318 -18.191 25554 5363 1 6 . 1 1 63 63 VAL C C 63 175.100 175.100 175.363 -0.263 25554 5364 1 6 . 1 1 63 63 VAL CA C 63 61.020 61.020 61.828 -0.808 25554 5365 1 6 . 1 1 63 63 VAL CB C 63 31.154 31.154 33.486 -2.332 25554 5366 1 6 . 1 1 63 63 VAL H H 63 8.113 8.113 9.267 -1.154 25554 5367 1 6 . 1 1 64 64 TRP N N 64 129.302 129.302 129.359 -0.057 25554 5368 1 6 . 1 1 64 64 TRP C C 64 177.152 177.152 175.269 1.883 25554 5369 1 6 . 1 1 64 64 TRP CA C 64 59.264 59.264 54.006 5.258 25554 5370 1 6 . 1 1 64 64 TRP CB C 64 29.397 29.397 29.260 0.137 25554 5371 1 6 . 1 1 64 64 TRP H H 64 8.970 8.970 9.391 -0.421 25554 5372 1 6 . 1 1 65 65 ASP N N 65 119.607 119.607 125.253 -5.646 25554 5373 1 6 . 1 1 65 65 ASP C C 65 174.514 174.514 175.956 -1.442 25554 5374 1 6 . 1 1 65 65 ASP CA C 65 55.164 55.164 52.216 2.948 25554 5375 1 6 . 1 1 65 65 ASP CB C 65 41.109 41.109 43.742 -2.633 25554 5376 1 6 . 1 1 65 65 ASP H H 65 8.638 8.638 9.125 -0.487 25554 5377 1 6 . 1 1 66 66 THR N N 66 122.463 122.463 115.949 6.514 25554 5378 1 6 . 1 1 66 66 THR C C 66 178.617 178.617 174.477 4.140 25554 5379 1 6 . 1 1 66 66 THR CA C 66 68.048 68.048 62.691 5.357 25554 5380 1 6 . 1 1 66 66 THR CB C 66 71.562 71.562 69.293 2.269 25554 5381 1 6 . 1 1 66 66 THR H H 66 8.293 8.293 8.409 -0.116 25554 5382 1 6 . 1 1 67 67 ALA N N 67 104.865 104.865 127.633 -22.768 25554 5383 1 6 . 1 1 67 67 ALA C C 67 177.738 177.738 177.401 0.337 25554 5384 1 6 . 1 1 67 67 ALA CA C 67 48.722 48.722 51.569 -2.847 25554 5385 1 6 . 1 1 67 67 ALA CB C 67 14.171 14.171 18.216 -4.045 25554 5386 1 6 . 1 1 67 67 ALA H H 67 8.657 8.657 8.053 0.604 25554 5387 1 6 . 1 1 68 68 GLY N N 68 115.357 115.357 111.621 3.736 25554 5388 1 6 . 1 1 68 68 GLY C C 68 189.533 189.533 176.054 13.479 25554 5389 1 6 . 1 1 68 68 GLY CA C 68 45.209 45.209 46.086 -0.877 25554 5390 1 6 . 1 1 68 68 GLY H H 68 10.969 10.969 8.288 2.681 25554 5391 1 6 . 1 1 69 69 GLN N N 69 110.111 110.111 119.658 -9.547 25554 5392 1 6 . 1 1 69 69 GLN C C 69 176.859 176.859 177.201 -0.342 25554 5393 1 6 . 1 1 69 69 GLN CA C 69 55.750 55.750 59.110 -3.360 25554 5394 1 6 . 1 1 69 69 GLN CB C 69 27.640 27.640 28.303 -0.663 25554 5395 1 6 . 1 1 69 69 GLN H H 69 8.344 8.344 8.415 -0.071 25554 5396 1 6 . 1 1 70 70 GLU N N 70 114.826 114.826 118.898 -4.072 25554 5397 1 6 . 1 1 70 70 GLU C C 70 176.273 176.273 177.383 -1.110 25554 5398 1 6 . 1 1 70 70 GLU CA C 70 57.507 57.507 58.447 -0.940 25554 5399 1 6 . 1 1 70 70 GLU CB C 70 28.811 28.811 28.669 0.142 25554 5400 1 6 . 1 1 70 70 GLU H H 70 9.651 9.651 8.306 1.345 25554 5401 1 6 . 1 1 71 71 LYS N N 71 116.685 116.685 119.260 -2.575 25554 5402 1 6 . 1 1 71 71 LYS C C 71 175.979 175.979 179.311 -3.332 25554 5403 1 6 . 1 1 71 71 LYS CA C 71 48.722 48.722 58.585 -9.863 25554 5404 1 6 . 1 1 71 71 LYS CB C 71 37.010 37.010 32.323 4.687 25554 5405 1 6 . 1 1 71 71 LYS H H 71 8.712 8.712 7.703 1.009 25554 5406 1 6 . 1 1 72 72 PHE N N 72 114.959 114.959 117.471 -2.512 25554 5407 1 6 . 1 1 72 72 PHE C C 72 175.686 175.686 176.468 -0.782 25554 5408 1 6 . 1 1 72 72 PHE CA C 72 56.336 56.336 59.916 -3.580 25554 5409 1 6 . 1 1 72 72 PHE CB C 72 36.424 36.424 39.768 -3.344 25554 5410 1 6 . 1 1 72 72 PHE H H 72 7.965 7.965 7.752 0.213 25554 5411 1 6 . 1 1 73 73 GLY N N 73 117.084 117.084 103.868 13.216 25554 5412 1 6 . 1 1 73 73 GLY C C 73 168.068 168.068 172.350 -4.282 25554 5413 1 6 . 1 1 73 73 GLY CA C 73 42.281 42.281 44.877 -2.596 25554 5414 1 6 . 1 1 73 73 GLY H H 73 7.609 7.609 8.159 -0.550 25554 5415 1 6 . 1 1 74 74 GLY N N 74 120.537 120.537 105.673 14.864 25554 5416 1 6 . 1 1 74 74 GLY C C 74 174.514 174.514 174.227 0.287 25554 5417 1 6 . 1 1 74 74 GLY CA C 74 44.037 44.037 44.344 -0.307 25554 5418 1 6 . 1 1 74 74 GLY H H 74 9.326 9.326 8.352 0.974 25554 5419 1 6 . 1 1 75 75 LEU N N 75 127.177 127.177 121.079 6.098 25554 5420 1 6 . 1 1 75 75 LEU C C 75 178.617 178.617 176.981 1.636 25554 5421 1 6 . 1 1 75 75 LEU CA C 75 53.407 53.407 54.063 -0.656 25554 5422 1 6 . 1 1 75 75 LEU CB C 75 42.281 42.281 43.746 -1.466 25554 5423 1 6 . 1 1 75 75 LEU H H 75 7.628 7.628 8.845 -1.217 25554 5424 1 6 . 1 1 76 76 ARG N N 76 116.486 116.486 122.366 -5.880 25554 5425 1 6 . 1 1 76 76 ARG C C 76 176.859 176.859 177.344 -0.485 25554 5426 1 6 . 1 1 76 76 ARG CA C 76 59.264 59.264 56.275 2.989 25554 5427 1 6 . 1 1 76 76 ARG CB C 76 31.154 31.154 31.331 -0.177 25554 5428 1 6 . 1 1 76 76 ARG H H 76 7.143 7.143 8.630 -1.487 25554 5429 1 6 . 1 1 77 77 ASP N N 77 129.236 129.236 121.679 7.557 25554 5430 1 6 . 1 1 77 77 ASP C C 77 177.152 177.152 178.603 -1.451 25554 5431 1 6 . 1 1 77 77 ASP CA C 77 52.822 52.822 57.993 -5.171 25554 5432 1 6 . 1 1 77 77 ASP CB C 77 41.695 41.695 40.456 1.239 25554 5433 1 6 . 1 1 77 77 ASP H H 77 8.947 8.947 8.929 0.018 25554 5434 1 6 . 1 1 78 78 GLY N N 78 127.244 127.244 107.466 19.778 25554 5435 1 6 . 1 1 78 78 GLY C C 78 173.928 173.928 175.236 -1.308 25554 5436 1 6 . 1 1 78 78 GLY CA C 78 44.623 44.623 47.026 -2.403 25554 5437 1 6 . 1 1 78 78 GLY H H 78 8.219 8.219 8.557 -0.338 25554 5438 1 6 . 1 1 79 79 TYR N N 79 120.537 120.537 120.689 -0.152 25554 5439 1 6 . 1 1 79 79 TYR C C 79 176.273 176.273 176.520 -0.247 25554 5440 1 6 . 1 1 79 79 TYR CA C 79 58.678 58.678 60.926 -2.248 25554 5441 1 6 . 1 1 79 79 TYR CB C 79 40.524 40.524 38.983 1.541 25554 5442 1 6 . 1 1 79 79 TYR H H 79 8.563 8.563 7.562 1.001 25554 5443 1 6 . 1 1 80 80 TYR N N 80 115.822 115.822 114.785 1.037 25554 5444 1 6 . 1 1 80 80 TYR C C 80 175.979 175.979 176.643 -0.664 25554 5445 1 6 . 1 1 80 80 TYR CA C 80 58.092 58.092 61.044 -2.952 25554 5446 1 6 . 1 1 80 80 TYR CB C 80 38.181 38.181 38.959 -0.778 25554 5447 1 6 . 1 1 80 80 TYR H H 80 7.194 7.194 7.767 -0.573 25554 5448 1 6 . 1 1 81 81 ILE N N 81 120.072 120.072 118.596 1.476 25554 5449 1 6 . 1 1 81 81 ILE C C 81 177.445 177.445 175.973 1.472 25554 5450 1 6 . 1 1 81 81 ILE CA C 81 67.462 67.462 63.397 4.066 25554 5451 1 6 . 1 1 81 81 ILE CB C 81 41.109 41.109 37.977 3.132 25554 5452 1 6 . 1 1 81 81 ILE H H 81 8.837 8.837 8.111 0.726 25554 5453 1 6 . 1 1 82 82 GLN N N 82 109.580 109.580 119.046 -9.466 25554 5454 1 6 . 1 1 82 82 GLN C C 82 177.152 177.152 174.640 2.512 25554 5455 1 6 . 1 1 82 82 GLN CA C 82 56.336 56.336 56.511 -0.175 25554 5456 1 6 . 1 1 82 82 GLN CB C 82 24.126 24.126 26.388 -2.262 25554 5457 1 6 . 1 1 82 82 GLN H H 82 8.493 8.493 8.794 -0.301 25554 5458 1 6 . 1 1 83 83 ALA N N 83 109.713 109.713 121.246 -11.533 25554 5459 1 6 . 1 1 83 83 ALA C C 83 175.979 175.979 177.114 -1.135 25554 5460 1 6 . 1 1 83 83 ALA CA C 83 54.579 54.579 51.228 3.351 25554 5461 1 6 . 1 1 83 83 ALA CB C 83 16.513 16.513 19.179 -2.666 25554 5462 1 6 . 1 1 83 83 ALA H H 83 6.306 6.306 7.497 -1.191 25554 5463 1 6 . 1 1 84 84 GLN N N 84 131.380 131.380 122.065 9.315 25554 5464 1 6 . 1 1 84 84 GLN C C 84 175.686 175.686 175.955 -0.269 25554 5465 1 6 . 1 1 84 84 GLN CA C 84 51.065 51.065 57.739 -6.674 25554 5466 1 6 . 1 1 84 84 GLN CB C 84 32.325 32.325 29.880 2.445 25554 5467 1 6 . 1 1 84 84 GLN H H 84 11.169 11.169 8.469 2.700 25554 5468 1 6 . 1 1 85 85 CYS N N 85 124.322 124.322 111.810 12.512 25554 5469 1 6 . 1 1 85 85 CYS C C 85 173.049 173.049 172.690 0.359 25554 5470 1 6 . 1 1 85 85 CYS CA C 85 57.507 57.507 55.719 1.788 25554 5471 1 6 . 1 1 85 85 CYS CB C 85 35.253 35.253 31.419 3.834 25554 5472 1 6 . 1 1 85 85 CYS H H 85 8.602 8.602 8.064 0.538 25554 5473 1 6 . 1 1 86 86 ALA N N 86 114.295 114.295 121.421 -7.126 25554 5474 1 6 . 1 1 86 86 ALA CA C 86 57.507 57.507 50.965 6.542 25554 5475 1 6 . 1 1 86 86 ALA CB C 86 21.784 21.784 22.494 -0.710 25554 5476 1 6 . 1 1 86 86 ALA H H 86 6.897 6.897 9.066 -2.169 25554 5477 1 6 . 1 1 87 87 ILE N N 87 120.670 120.670 121.110 -0.440 25554 5478 1 6 . 1 1 87 87 ILE C C 87 173.928 173.928 174.684 -0.756 25554 5479 1 6 . 1 1 87 87 ILE CA C 87 61.020 61.020 59.881 1.139 25554 5480 1 6 . 1 1 87 87 ILE CB C 87 39.938 39.938 41.264 -1.326 25554 5481 1 6 . 1 1 87 87 ILE H H 87 8.282 8.282 8.631 -0.349 25554 5482 1 6 . 1 1 88 88 ILE N N 88 120.205 120.205 127.946 -7.741 25554 5483 1 6 . 1 1 88 88 ILE C C 88 173.635 173.635 175.282 -1.647 25554 5484 1 6 . 1 1 88 88 ILE CA C 88 64.534 64.534 59.906 4.628 25554 5485 1 6 . 1 1 88 88 ILE CB C 88 37.596 37.596 40.221 -2.625 25554 5486 1 6 . 1 1 88 88 ILE H H 88 5.528 5.528 8.919 -3.391 25554 5487 1 6 . 1 1 89 89 MET N N 89 119.209 119.209 126.515 -7.306 25554 5488 1 6 . 1 1 89 89 MET C C 89 176.566 176.566 175.386 1.180 25554 5489 1 6 . 1 1 89 89 MET CA C 89 56.921 56.921 52.602 4.319 25554 5490 1 6 . 1 1 89 89 MET CB C 89 34.668 34.668 32.843 1.825 25554 5491 1 6 . 1 1 89 89 MET H H 89 8.164 8.164 8.800 -0.636 25554 5492 1 6 . 1 1 90 90 PHE N N 90 121.134 121.134 118.623 2.511 25554 5493 1 6 . 1 1 90 90 PHE C C 90 175.393 175.393 173.088 2.305 25554 5494 1 6 . 1 1 90 90 PHE CA C 90 60.435 60.435 55.608 4.827 25554 5495 1 6 . 1 1 90 90 PHE CB C 90 38.767 38.767 41.882 -3.115 25554 5496 1 6 . 1 1 90 90 PHE H H 90 9.334 9.334 8.518 0.816 25554 5497 1 6 . 1 1 91 91 ASP N N 91 125.185 125.185 121.586 3.599 25554 5498 1 6 . 1 1 91 91 ASP C C 91 176.566 176.566 177.920 -1.354 25554 5499 1 6 . 1 1 91 91 ASP CA C 91 52.822 52.822 53.041 -0.219 25554 5500 1 6 . 1 1 91 91 ASP CB C 91 39.938 39.938 41.985 -2.047 25554 5501 1 6 . 1 1 91 91 ASP H H 91 9.056 9.056 8.971 0.085 25554 5502 1 6 . 1 1 92 92 VAL N N 92 115.158 115.158 127.020 -11.862 25554 5503 1 6 . 1 1 92 92 VAL C C 92 173.342 173.342 177.550 -4.208 25554 5504 1 6 . 1 1 92 92 VAL CA C 92 64.534 64.534 66.008 -1.474 25554 5505 1 6 . 1 1 92 92 VAL CB C 92 37.596 37.596 31.837 5.759 25554 5506 1 6 . 1 1 92 92 VAL H H 92 7.738 7.738 8.700 -0.962 25554 5507 1 6 . 1 1 93 93 THR N N 93 112.302 112.302 109.015 3.287 25554 5508 1 6 . 1 1 93 93 THR C C 93 177.152 177.152 174.799 2.353 25554 5509 1 6 . 1 1 93 93 THR CA C 93 64.534 64.534 64.234 0.300 25554 5510 1 6 . 1 1 93 93 THR CB C 93 72.147 72.147 69.113 3.034 25554 5511 1 6 . 1 1 93 93 THR H H 93 7.269 7.269 8.194 -0.925 25554 5512 1 6 . 1 1 94 94 SER N N 94 122.263 122.263 116.626 5.637 25554 5513 1 6 . 1 1 94 94 SER C C 94 163.965 163.965 174.312 -10.347 25554 5514 1 6 . 1 1 94 94 SER CA C 94 59.849 59.849 56.102 3.747 25554 5515 1 6 . 1 1 94 94 SER CB C 94 62.192 62.192 65.589 -3.397 25554 5516 1 6 . 1 1 94 94 SER H H 94 7.628 7.628 7.753 -0.125 25554 5517 1 6 . 1 1 95 95 ARG N N 95 113.099 113.099 127.463 -14.364 25554 5518 1 6 . 1 1 95 95 ARG C C 95 176.273 176.273 177.954 -1.681 25554 5519 1 6 . 1 1 95 95 ARG CA C 95 53.407 53.407 58.830 -5.423 25554 5520 1 6 . 1 1 95 95 ARG CB C 95 31.154 31.154 29.680 1.474 25554 5521 1 6 . 1 1 95 95 ARG H H 95 8.102 8.102 9.136 -1.034 25554 5522 1 6 . 1 1 96 96 VAL N N 96 124.787 124.787 117.367 7.420 25554 5523 1 6 . 1 1 96 96 VAL C C 96 178.031 178.031 177.639 0.392 25554 5524 1 6 . 1 1 96 96 VAL CA C 96 68.634 68.634 66.371 2.263 25554 5525 1 6 . 1 1 96 96 VAL CB C 96 24.126 24.126 31.314 -7.188 25554 5526 1 6 . 1 1 96 96 VAL H H 96 9.146 9.146 8.354 0.792 25554 5527 1 6 . 1 1 97 97 THR N N 97 111.970 111.970 112.716 -0.746 25554 5528 1 6 . 1 1 97 97 THR C C 97 178.031 178.031 176.050 1.981 25554 5529 1 6 . 1 1 97 97 THR CA C 97 63.949 63.949 65.990 -2.041 25554 5530 1 6 . 1 1 97 97 THR CB C 97 70.390 70.390 68.898 1.492 25554 5531 1 6 . 1 1 97 97 THR H H 97 7.984 7.984 7.520 0.464 25554 5532 1 6 . 1 1 98 98 TYR N N 98 113.232 113.232 123.040 -9.808 25554 5533 1 6 . 1 1 98 98 TYR C C 98 176.273 176.273 177.635 -1.362 25554 5534 1 6 . 1 1 98 98 TYR H H 98 7.605 7.605 7.510 0.095 25554 5535 1 6 . 1 1 99 99 LYS N N 99 121.998 121.998 119.093 2.905 25554 5536 1 6 . 1 1 99 99 LYS C C 99 174.221 174.221 178.891 -4.670 25554 5537 1 6 . 1 1 99 99 LYS CA C 99 59.264 59.264 59.505 -0.241 25554 5538 1 6 . 1 1 99 99 LYS CB C 99 34.668 34.668 32.268 2.400 25554 5539 1 6 . 1 1 99 99 LYS H H 99 8.129 8.129 8.002 0.127 25554 5540 1 6 . 1 1 100 100 ASN N N 100 111.970 111.970 117.054 -5.084 25554 5541 1 6 . 1 1 100 100 ASN C C 100 175.979 175.979 177.189 -1.210 25554 5542 1 6 . 1 1 100 100 ASN CA C 100 53.407 53.407 54.669 -1.262 25554 5543 1 6 . 1 1 100 100 ASN CB C 100 37.596 37.596 38.256 -0.660 25554 5544 1 6 . 1 1 100 100 ASN H H 100 5.778 5.778 8.319 -2.541 25554 5545 1 6 . 1 1 101 101 VAL N N 101 118.877 118.877 122.059 -3.182 25554 5546 1 6 . 1 1 101 101 VAL C C 101 173.635 173.635 175.048 -1.413 25554 5547 1 6 . 1 1 101 101 VAL CA C 101 62.777 62.777 68.920 -6.143 25554 5548 1 6 . 1 1 101 101 VAL CB C 101 27.054 27.054 29.323 -2.268 25554 5549 1 6 . 1 1 101 101 VAL H H 101 7.370 7.370 7.374 -0.004 25554 5550 1 6 . 1 1 102 102 PRO C C 102 176.566 176.566 178.735 -2.169 25554 5551 1 6 . 1 1 102 102 PRO CA C 102 62.500 62.500 66.609 -4.109 25554 5552 1 6 . 1 1 102 102 PRO CB C 102 30.853 30.853 31.305 -0.452 25554 5553 1 6 . 1 1 103 103 ASN N N 103 122.728 122.728 116.887 5.841 25554 5554 1 6 . 1 1 103 103 ASN C C 103 175.100 175.100 177.392 -2.292 25554 5555 1 6 . 1 1 103 103 ASN CA C 103 54.579 54.579 55.916 -1.337 25554 5556 1 6 . 1 1 103 103 ASN CB C 103 38.767 38.767 37.486 1.281 25554 5557 1 6 . 1 1 103 103 ASN H H 103 7.879 7.879 8.143 -0.264 25554 5558 1 6 . 1 1 104 104 TRP N N 104 132.158 132.158 120.974 11.184 25554 5559 1 6 . 1 1 104 104 TRP C C 104 176.273 176.273 178.962 -2.689 25554 5560 1 6 . 1 1 104 104 TRP CA C 104 60.435 60.435 60.537 -0.102 25554 5561 1 6 . 1 1 104 104 TRP CB C 104 29.983 29.983 29.438 0.545 25554 5562 1 6 . 1 1 104 104 TRP H H 104 9.541 9.541 7.978 1.563 25554 5563 1 6 . 1 1 105 105 HIS N N 105 120.869 120.869 119.516 1.353 25554 5564 1 6 . 1 1 105 105 HIS C C 105 177.738 177.738 177.403 0.335 25554 5565 1 6 . 1 1 105 105 HIS H H 105 6.971 6.971 8.805 -1.834 25554 5566 1 6 . 1 1 106 106 ARG N N 106 126.314 126.314 119.052 7.262 25554 5567 1 6 . 1 1 106 106 ARG C C 106 176.566 176.566 178.420 -1.854 25554 5568 1 6 . 1 1 106 106 ARG CA C 106 62.777 62.777 59.893 2.884 25554 5569 1 6 . 1 1 106 106 ARG CB C 106 29.397 29.397 30.059 -0.662 25554 5570 1 6 . 1 1 106 106 ARG H H 106 7.507 7.507 8.452 -0.945 25554 5571 1 6 . 1 1 107 107 ASP N N 107 119.076 119.076 120.151 -1.075 25554 5572 1 6 . 1 1 107 107 ASP C C 107 176.566 176.566 178.806 -2.240 25554 5573 1 6 . 1 1 107 107 ASP CA C 107 55.164 55.164 57.240 -2.076 25554 5574 1 6 . 1 1 107 107 ASP CB C 107 41.695 41.695 40.441 1.254 25554 5575 1 6 . 1 1 107 107 ASP H H 107 9.076 9.076 8.118 0.958 25554 5576 1 6 . 1 1 108 108 LEU N N 108 113.299 113.299 121.662 -8.363 25554 5577 1 6 . 1 1 108 108 LEU C C 108 176.273 176.273 178.550 -2.277 25554 5578 1 6 . 1 1 108 108 LEU CA C 108 59.264 59.264 58.153 1.111 25554 5579 1 6 . 1 1 108 108 LEU CB C 108 48.722 48.722 42.252 6.470 25554 5580 1 6 . 1 1 108 108 LEU H H 108 6.725 6.725 8.379 -1.654 25554 5581 1 6 . 1 1 109 109 VAL N N 109 121.267 121.267 119.352 1.915 25554 5582 1 6 . 1 1 109 109 VAL C C 109 175.393 175.393 178.338 -2.945 25554 5583 1 6 . 1 1 109 109 VAL CA C 109 63.949 63.949 65.917 -1.968 25554 5584 1 6 . 1 1 109 109 VAL CB C 109 32.911 32.911 31.443 1.468 25554 5585 1 6 . 1 1 109 109 VAL H H 109 8.763 8.763 8.273 0.490 25554 5586 1 6 . 1 1 110 110 ARG N N 110 112.900 112.900 119.500 -6.600 25554 5587 1 6 . 1 1 110 110 ARG C C 110 176.273 176.273 178.051 -1.778 25554 5588 1 6 . 1 1 110 110 ARG CA C 110 57.507 57.507 59.055 -1.548 25554 5589 1 6 . 1 1 110 110 ARG CB C 110 30.568 30.568 30.336 0.232 25554 5590 1 6 . 1 1 110 110 ARG H H 110 7.241 7.241 7.745 -0.504 25554 5591 1 6 . 1 1 111 111 VAL N N 111 115.556 115.556 117.040 -1.484 25554 5592 1 6 . 1 1 111 111 VAL C C 111 177.445 177.445 176.573 0.872 25554 5593 1 6 . 1 1 111 111 VAL CA C 111 59.849 59.849 65.262 -5.413 25554 5594 1 6 . 1 1 111 111 VAL CB C 111 32.911 32.911 32.825 0.086 25554 5595 1 6 . 1 1 111 111 VAL H H 111 7.566 7.566 7.493 0.073 25554 5596 1 6 . 1 1 112 112 CYS N N 112 114.295 114.295 118.813 -4.518 25554 5597 1 6 . 1 1 112 112 CYS C C 112 169.826 169.826 172.836 -3.010 25554 5598 1 6 . 1 1 112 112 CYS CA C 112 57.507 57.507 58.422 -0.915 25554 5599 1 6 . 1 1 112 112 CYS CB C 112 35.839 35.839 30.997 4.841 25554 5600 1 6 . 1 1 112 112 CYS H H 112 7.425 7.425 8.419 -0.994 25554 5601 1 6 . 1 1 113 113 GLU N N 113 116.486 116.486 124.914 -8.428 25554 5602 1 6 . 1 1 113 113 GLU C C 113 176.566 176.566 175.569 0.997 25554 5603 1 6 . 1 1 113 113 GLU CA C 113 69.219 69.219 56.055 13.164 25554 5604 1 6 . 1 1 113 113 GLU CB C 113 30.568 30.568 31.256 -0.688 25554 5605 1 6 . 1 1 113 113 GLU H H 113 7.241 7.241 8.699 -1.458 25554 5606 1 6 . 1 1 114 114 ASN N N 114 129.302 129.302 117.979 11.323 25554 5607 1 6 . 1 1 114 114 ASN C C 114 175.100 175.100 174.852 0.248 25554 5608 1 6 . 1 1 114 114 ASN CA C 114 52.236 52.236 54.202 -1.966 25554 5609 1 6 . 1 1 114 114 ASN CB C 114 39.938 39.938 37.531 2.407 25554 5610 1 6 . 1 1 114 114 ASN H H 114 8.919 8.919 8.685 0.234 25554 5611 1 6 . 1 1 115 115 ILE N N 115 110.443 110.443 115.027 -4.584 25554 5612 1 6 . 1 1 115 115 ILE C C 115 175.100 175.100 174.191 0.909 25554 5613 1 6 . 1 1 115 115 ILE CA C 115 65.705 65.705 58.646 7.059 25554 5614 1 6 . 1 1 115 115 ILE CB C 115 39.353 39.353 38.304 1.049 25554 5615 1 6 . 1 1 115 115 ILE H H 115 9.287 9.287 7.514 1.773 25554 5616 1 6 . 1 1 116 116 PRO C C 116 175.979 175.979 175.568 0.411 25554 5617 1 6 . 1 1 116 116 PRO CA C 116 63.086 63.086 62.786 0.300 25554 5618 1 6 . 1 1 116 116 PRO CB C 116 29.681 29.681 32.387 -2.706 25554 5619 1 6 . 1 1 117 117 ILE N N 117 123.591 123.591 124.643 -1.052 25554 5620 1 6 . 1 1 117 117 ILE C C 117 174.807 174.807 175.249 -0.442 25554 5621 1 6 . 1 1 117 117 ILE CA C 117 66.291 66.291 60.047 6.245 25554 5622 1 6 . 1 1 117 117 ILE CB C 117 38.767 38.767 42.114 -3.347 25554 5623 1 6 . 1 1 117 117 ILE H H 117 7.781 7.781 8.733 -0.952 25554 5624 1 6 . 1 1 118 118 VAL N N 118 119.009 119.009 125.961 -6.952 25554 5625 1 6 . 1 1 118 118 VAL C C 118 178.324 178.324 174.275 4.049 25554 5626 1 6 . 1 1 118 118 VAL CA C 118 62.777 62.777 60.883 1.895 25554 5627 1 6 . 1 1 118 118 VAL CB C 118 31.154 31.154 33.954 -2.800 25554 5628 1 6 . 1 1 118 118 VAL H H 118 8.767 8.767 8.808 -0.041 25554 5629 1 6 . 1 1 119 119 LEU N N 119 119.408 119.408 129.330 -9.922 25554 5630 1 6 . 1 1 119 119 LEU C C 119 178.031 178.031 174.721 3.310 25554 5631 1 6 . 1 1 119 119 LEU CA C 119 42.866 42.866 53.160 -10.294 25554 5632 1 6 . 1 1 119 119 LEU CB C 119 38.767 38.767 45.199 -6.432 25554 5633 1 6 . 1 1 119 119 LEU H H 119 7.734 7.734 8.979 -1.245 25554 5634 1 6 . 1 1 120 120 CYS N N 120 113.232 113.232 125.012 -11.780 25554 5635 1 6 . 1 1 120 120 CYS C C 120 178.031 178.031 173.460 4.571 25554 5636 1 6 . 1 1 120 120 CYS H H 120 8.317 8.317 9.079 -0.762 25554 5637 1 6 . 1 1 121 121 GLY N N 121 117.349 117.349 111.641 5.708 25554 5638 1 6 . 1 1 121 121 GLY C C 121 176.851 176.851 171.821 5.030 25554 5639 1 6 . 1 1 121 121 GLY CA C 121 41.109 41.109 43.525 -2.416 25554 5640 1 6 . 1 1 121 121 GLY H H 121 7.515 7.515 8.755 -1.240 25554 5641 1 6 . 1 1 122 122 ASN N N 122 125.318 125.318 123.742 1.576 25554 5642 1 6 . 1 1 122 122 ASN C C 122 175.686 175.686 175.007 0.679 25554 5643 1 6 . 1 1 122 122 ASN CA C 122 50.479 50.479 50.694 -0.215 25554 5644 1 6 . 1 1 122 122 ASN CB C 122 39.353 39.353 41.691 -2.338 25554 5645 1 6 . 1 1 122 122 ASN H H 122 9.162 9.162 8.019 1.143 25554 5646 1 6 . 1 1 123 123 LYS N N 123 124.920 124.920 120.663 4.257 25554 5647 1 6 . 1 1 123 123 LYS C C 123 176.566 176.566 176.283 0.283 25554 5648 1 6 . 1 1 123 123 LYS CA C 123 70.976 70.976 57.516 13.460 25554 5649 1 6 . 1 1 123 123 LYS CB C 123 35.253 35.253 29.878 5.375 25554 5650 1 6 . 1 1 123 123 LYS H H 123 8.086 8.086 9.030 -0.944 25554 5651 1 6 . 1 1 124 124 VAL N N 124 125.517 125.517 119.417 6.100 25554 5652 1 6 . 1 1 124 124 VAL C C 124 177.738 177.738 176.136 1.602 25554 5653 1 6 . 1 1 124 124 VAL CA C 124 62.777 62.777 65.093 -2.316 25554 5654 1 6 . 1 1 124 124 VAL CB C 124 33.496 33.496 31.822 1.674 25554 5655 1 6 . 1 1 124 124 VAL H H 124 9.483 9.483 7.674 1.809 25554 5656 1 6 . 1 1 125 125 ASP N N 125 119.607 119.607 119.351 0.256 25554 5657 1 6 . 1 1 125 125 ASP C C 125 176.566 176.566 176.993 -0.427 25554 5658 1 6 . 1 1 125 125 ASP CA C 125 55.750 55.750 56.087 -0.337 25554 5659 1 6 . 1 1 125 125 ASP CB C 125 40.524 40.524 40.052 0.472 25554 5660 1 6 . 1 1 125 125 ASP H H 125 7.875 7.875 7.729 0.146 25554 5661 1 6 . 1 1 126 126 ILE N N 126 116.088 116.088 121.129 -5.041 25554 5662 1 6 . 1 1 126 126 ILE C C 126 177.152 177.152 177.293 -0.141 25554 5663 1 6 . 1 1 126 126 ILE CA C 126 66.291 66.291 61.904 4.387 25554 5664 1 6 . 1 1 126 126 ILE CB C 126 39.353 39.353 38.686 0.667 25554 5665 1 6 . 1 1 126 126 ILE H H 126 7.511 7.511 7.436 0.075 25554 5666 1 6 . 1 1 127 127 LYS N N 127 117.681 117.681 124.438 -6.757 25554 5667 1 6 . 1 1 127 127 LYS C C 127 177.152 177.152 177.080 0.072 25554 5668 1 6 . 1 1 127 127 LYS CA C 127 57.507 57.507 58.335 -0.828 25554 5669 1 6 . 1 1 127 127 LYS CB C 127 31.154 31.154 32.677 -1.523 25554 5670 1 6 . 1 1 127 127 LYS H H 127 8.059 8.059 8.490 -0.431 25554 5671 1 6 . 1 1 128 128 ASP N N 128 118.279 118.279 119.125 -0.846 25554 5672 1 6 . 1 1 128 128 ASP C C 128 176.566 176.566 175.139 1.427 25554 5673 1 6 . 1 1 128 128 ASP CA C 128 53.407 53.407 53.160 0.247 25554 5674 1 6 . 1 1 128 128 ASP CB C 128 40.524 40.524 40.546 -0.022 25554 5675 1 6 . 1 1 128 128 ASP H H 128 7.241 7.241 7.993 -0.752 25554 5676 1 6 . 1 1 129 129 ARG N N 129 118.943 118.943 126.589 -7.646 25554 5677 1 6 . 1 1 129 129 ARG C C 129 177.738 177.738 175.416 2.322 25554 5678 1 6 . 1 1 129 129 ARG CA C 129 45.794 45.794 55.869 -10.075 25554 5679 1 6 . 1 1 129 129 ARG CB C 129 31.154 31.154 30.633 0.521 25554 5680 1 6 . 1 1 129 129 ARG H H 129 8.423 8.423 8.083 0.340 25554 5681 1 6 . 1 1 130 130 LYS N N 130 109.381 109.381 123.589 -14.208 25554 5682 1 6 . 1 1 130 130 LYS C C 130 176.566 176.566 176.377 0.189 25554 5683 1 6 . 1 1 130 130 LYS CA C 130 55.164 55.164 56.577 -1.413 25554 5684 1 6 . 1 1 130 130 LYS CB C 130 36.424 36.424 33.539 2.885 25554 5685 1 6 . 1 1 130 130 LYS H H 130 7.296 7.296 8.045 -0.749 25554 5686 1 6 . 1 1 131 131 VAL N N 131 110.377 110.377 121.082 -10.705 25554 5687 1 6 . 1 1 131 131 VAL C C 131 178.617 178.617 174.275 4.342 25554 5688 1 6 . 1 1 131 131 VAL CA C 131 65.705 65.705 61.415 4.290 25554 5689 1 6 . 1 1 131 131 VAL CB C 131 35.839 35.839 33.166 2.673 25554 5690 1 6 . 1 1 131 131 VAL H H 131 9.283 9.283 7.965 1.318 25554 5691 1 6 . 1 1 132 132 LYS N N 132 110.310 110.310 127.629 -17.319 25554 5692 1 6 . 1 1 132 132 LYS C C 132 176.273 176.273 176.822 -0.549 25554 5693 1 6 . 1 1 132 132 LYS CA C 132 59.849 59.849 54.448 5.401 25554 5694 1 6 . 1 1 132 132 LYS CB C 132 35.253 35.253 34.765 0.488 25554 5695 1 6 . 1 1 132 132 LYS H H 132 9.709 9.709 7.862 1.847 25554 5696 1 6 . 1 1 133 133 ALA N N 133 134.349 134.349 124.313 10.036 25554 5697 1 6 . 1 1 133 133 ALA CA C 133 51.065 51.065 55.194 -4.129 25554 5698 1 6 . 1 1 133 133 ALA CB C 133 12.999 12.999 18.600 -5.601 25554 5699 1 6 . 1 1 133 133 ALA H H 133 6.322 6.322 8.749 -2.427 25554 5700 1 6 . 1 1 134 134 LYS N N 134 117.615 117.615 116.475 1.140 25554 5701 1 6 . 1 1 134 134 LYS C C 134 176.859 176.859 177.102 -0.243 25554 5702 1 6 . 1 1 134 134 LYS CA C 134 55.750 55.750 59.290 -3.540 25554 5703 1 6 . 1 1 134 134 LYS CB C 134 54.579 54.579 32.189 22.390 25554 5704 1 6 . 1 1 134 134 LYS H H 134 6.549 6.549 8.362 -1.813 25554 5705 1 6 . 1 1 135 135 SER N N 135 109.314 109.314 111.474 -2.160 25554 5706 1 6 . 1 1 135 135 SER C C 135 173.635 173.635 173.912 -0.277 25554 5707 1 6 . 1 1 135 135 SER CA C 135 56.336 56.336 57.890 -1.554 25554 5708 1 6 . 1 1 135 135 SER CB C 135 63.949 63.949 63.258 0.691 25554 5709 1 6 . 1 1 135 135 SER H H 135 7.840 7.840 7.764 0.076 25554 5710 1 6 . 1 1 136 136 ILE N N 136 124.123 124.123 125.167 -1.044 25554 5711 1 6 . 1 1 136 136 ILE C C 136 175.100 175.100 176.022 -0.922 25554 5712 1 6 . 1 1 136 136 ILE CA C 136 68.634 68.634 60.572 8.062 25554 5713 1 6 . 1 1 136 136 ILE CB C 136 43.452 43.452 35.405 8.047 25554 5714 1 6 . 1 1 136 136 ILE H H 136 8.098 8.098 7.169 0.929 25554 5715 1 6 . 1 1 137 137 VAL N N 137 113.232 113.232 119.298 -6.066 25554 5716 1 6 . 1 1 137 137 VAL C C 137 176.859 176.859 176.302 0.557 25554 5717 1 6 . 1 1 137 137 VAL CA C 137 64.534 64.534 61.787 2.747 25554 5718 1 6 . 1 1 137 137 VAL CB C 137 34.082 34.082 32.163 1.919 25554 5719 1 6 . 1 1 137 137 VAL H H 137 7.711 7.711 8.274 -0.563 25554 5720 1 6 . 1 1 138 138 PHE N N 138 118.279 118.279 123.001 -4.722 25554 5721 1 6 . 1 1 138 138 PHE C C 138 175.393 175.393 176.224 -0.831 25554 5722 1 6 . 1 1 138 138 PHE CA C 138 58.092 58.092 62.101 -4.009 25554 5723 1 6 . 1 1 138 138 PHE CB C 138 39.353 39.353 39.087 0.267 25554 5724 1 6 . 1 1 138 138 PHE H H 138 8.317 8.317 8.013 0.304 25554 5725 1 6 . 1 1 139 139 HIS N N 139 107.654 107.654 115.419 -7.765 25554 5726 1 6 . 1 1 139 139 HIS C C 139 175.979 175.979 177.526 -1.547 25554 5727 1 6 . 1 1 139 139 HIS CA C 139 53.993 53.993 58.766 -4.773 25554 5728 1 6 . 1 1 139 139 HIS CB C 139 28.811 28.811 29.086 -0.275 25554 5729 1 6 . 1 1 139 139 HIS H H 139 8.016 8.016 8.613 -0.597 25554 5730 1 6 . 1 1 140 140 ARG N N 140 117.084 117.084 119.845 -2.761 25554 5731 1 6 . 1 1 140 140 ARG C C 140 176.859 176.859 177.853 -0.994 25554 5732 1 6 . 1 1 140 140 ARG CA C 140 57.507 57.507 58.979 -1.472 25554 5733 1 6 . 1 1 140 140 ARG CB C 140 31.739 31.739 29.838 1.901 25554 5734 1 6 . 1 1 140 140 ARG H H 140 8.763 8.763 6.923 1.840 25554 5735 1 6 . 1 1 141 141 LYS N N 141 115.623 115.623 117.644 -2.021 25554 5736 1 6 . 1 1 141 141 LYS C C 141 173.635 173.635 178.333 -4.698 25554 5737 1 6 . 1 1 141 141 LYS CA C 141 58.092 58.092 58.486 -0.394 25554 5738 1 6 . 1 1 141 141 LYS CB C 141 33.496 33.496 32.366 1.130 25554 5739 1 6 . 1 1 141 141 LYS H H 141 7.449 7.449 7.116 0.333 25554 5740 1 6 . 1 1 142 142 LYS N N 142 114.162 114.162 115.340 -1.178 25554 5741 1 6 . 1 1 142 142 LYS C C 142 175.979 175.979 176.020 -0.041 25554 5742 1 6 . 1 1 142 142 LYS CA C 142 51.065 51.065 54.915 -3.850 25554 5743 1 6 . 1 1 142 142 LYS CB C 142 34.668 34.668 31.930 2.738 25554 5744 1 6 . 1 1 142 142 LYS H H 142 8.982 8.982 7.501 1.481 25554 5745 1 6 . 1 1 143 143 ASN N N 143 112.103 112.103 114.968 -2.865 25554 5746 1 6 . 1 1 143 143 ASN C C 143 175.100 175.100 173.832 1.268 25554 5747 1 6 . 1 1 143 143 ASN CA C 143 53.407 53.407 53.854 -0.447 25554 5748 1 6 . 1 1 143 143 ASN CB C 143 39.938 39.938 36.314 3.624 25554 5749 1 6 . 1 1 143 143 ASN H H 143 7.402 7.402 8.086 -0.684 25554 5750 1 6 . 1 1 144 144 LEU N N 144 118.810 118.810 117.473 1.337 25554 5751 1 6 . 1 1 144 144 LEU CA C 144 53.993 53.993 53.500 0.493 25554 5752 1 6 . 1 1 144 144 LEU CB C 144 42.866 42.866 44.724 -1.858 25554 5753 1 6 . 1 1 144 144 LEU H H 144 7.793 7.793 7.896 -0.103 25554 5754 1 6 . 1 1 145 145 GLN N N 145 119.607 119.607 117.393 2.214 25554 5755 1 6 . 1 1 145 145 GLN C C 145 176.859 176.859 174.213 2.646 25554 5756 1 6 . 1 1 145 145 GLN CA C 145 55.164 55.164 53.214 1.950 25554 5757 1 6 . 1 1 145 145 GLN CB C 145 29.983 29.983 30.860 -0.877 25554 5758 1 6 . 1 1 145 145 GLN H H 145 7.014 7.014 7.611 -0.597 25554 5759 1 6 . 1 1 146 146 TYR N N 146 119.275 119.275 124.378 -5.103 25554 5760 1 6 . 1 1 146 146 TYR C C 146 174.807 174.807 174.632 0.175 25554 5761 1 6 . 1 1 146 146 TYR CA C 146 62.777 62.777 56.028 6.750 25554 5762 1 6 . 1 1 146 146 TYR CB C 146 41.109 41.109 40.503 0.606 25554 5763 1 6 . 1 1 146 146 TYR H H 146 9.350 9.350 8.106 1.244 25554 5764 1 6 . 1 1 147 147 TYR N N 147 123.658 123.658 125.879 -2.221 25554 5765 1 6 . 1 1 147 147 TYR C C 147 177.738 177.738 174.168 3.570 25554 5766 1 6 . 1 1 147 147 TYR CA C 147 58.092 58.092 55.974 2.118 25554 5767 1 6 . 1 1 147 147 TYR CB C 147 39.938 39.938 40.954 -1.016 25554 5768 1 6 . 1 1 147 147 TYR H H 147 8.340 8.340 8.252 0.088 25554 5769 1 6 . 1 1 148 148 ASP N N 148 121.267 121.267 123.486 -2.219 25554 5770 1 6 . 1 1 148 148 ASP C C 148 176.859 176.859 175.685 1.174 25554 5771 1 6 . 1 1 148 148 ASP CA C 148 54.579 54.579 55.228 -0.649 25554 5772 1 6 . 1 1 148 148 ASP CB C 148 41.109 41.109 41.818 -0.709 25554 5773 1 6 . 1 1 148 148 ASP H H 148 8.911 8.911 8.463 0.448 25554 5774 1 6 . 1 1 149 149 ILE N N 149 119.607 119.607 118.429 1.178 25554 5775 1 6 . 1 1 149 149 ILE C C 149 174.807 174.807 174.151 0.656 25554 5776 1 6 . 1 1 149 149 ILE CA C 149 61.020 61.020 59.673 1.347 25554 5777 1 6 . 1 1 149 149 ILE CB C 149 39.353 39.353 42.378 -3.025 25554 5778 1 6 . 1 1 149 149 ILE H H 149 8.712 8.712 8.853 -0.141 25554 5779 1 6 . 1 1 150 150 SER N N 150 117.349 117.349 119.021 -1.672 25554 5780 1 6 . 1 1 150 150 SER C C 150 175.686 175.686 174.607 1.079 25554 5781 1 6 . 1 1 150 150 SER CA C 150 60.435 60.435 56.789 3.646 25554 5782 1 6 . 1 1 150 150 SER CB C 150 62.192 62.192 65.791 -3.599 25554 5783 1 6 . 1 1 150 150 SER H H 150 8.454 8.454 8.757 -0.303 25554 5784 1 6 . 1 1 151 151 ALA N N 151 131.162 131.162 131.245 -0.083 25554 5785 1 6 . 1 1 151 151 ALA C C 151 160.742 160.742 179.263 -18.521 25554 5786 1 6 . 1 1 151 151 ALA CA C 151 53.993 53.993 55.618 -1.625 25554 5787 1 6 . 1 1 151 151 ALA CB C 151 22.369 22.369 18.982 3.387 25554 5788 1 6 . 1 1 151 151 ALA H H 151 10.640 10.640 9.100 1.540 25554 5789 1 6 . 1 1 152 152 LYS N N 152 121.400 121.400 118.240 3.160 25554 5790 1 6 . 1 1 152 152 LYS C C 152 174.221 174.221 177.650 -3.429 25554 5791 1 6 . 1 1 152 152 LYS CA C 152 59.849 59.849 59.962 -0.113 25554 5792 1 6 . 1 1 152 152 LYS CB C 152 34.668 34.668 32.325 2.343 25554 5793 1 6 . 1 1 152 152 LYS H H 152 9.099 9.099 8.781 0.318 25554 5794 1 6 . 1 1 153 153 SER N N 153 115.212 115.212 110.686 4.526 25554 5795 1 6 . 1 1 153 153 SER C C 153 177.152 177.152 174.291 2.861 25554 5796 1 6 . 1 1 153 153 SER CA C 153 62.192 62.192 57.524 4.668 25554 5797 1 6 . 1 1 153 153 SER CB C 153 66.291 66.291 62.556 3.735 25554 5798 1 6 . 1 1 153 153 SER H H 153 8.935 8.935 8.335 0.600 25554 5799 1 6 . 1 1 154 154 ASN N N 154 119.341 119.341 117.532 1.809 25554 5800 1 6 . 1 1 154 154 ASN C C 154 175.979 175.979 173.778 2.201 25554 5801 1 6 . 1 1 154 154 ASN CA C 154 49.894 49.894 54.406 -4.512 25554 5802 1 6 . 1 1 154 154 ASN CB C 154 39.353 39.353 36.066 3.288 25554 5803 1 6 . 1 1 154 154 ASN H H 154 7.488 7.488 7.605 -0.117 25554 5804 1 6 . 1 1 155 155 TYR N N 155 113.498 113.498 121.921 -8.423 25554 5805 1 6 . 1 1 155 155 TYR C C 155 173.928 173.928 175.314 -1.386 25554 5806 1 6 . 1 1 155 155 TYR CA C 155 56.336 56.336 58.764 -2.428 25554 5807 1 6 . 1 1 155 155 TYR CB C 155 37.596 37.596 39.514 -1.918 25554 5808 1 6 . 1 1 155 155 TYR H H 155 6.486 6.486 8.334 -1.848 25554 5809 1 6 . 1 1 156 156 ASN N N 156 122.396 122.396 122.869 -0.473 25554 5810 1 6 . 1 1 156 156 ASN C C 156 175.979 175.979 175.470 0.509 25554 5811 1 6 . 1 1 156 156 ASN CA C 156 51.651 51.651 54.049 -2.398 25554 5812 1 6 . 1 1 156 156 ASN CB C 156 38.767 38.767 36.484 2.283 25554 5813 1 6 . 1 1 156 156 ASN H H 156 8.352 8.352 8.980 -0.628 25554 5814 1 6 . 1 1 157 157 PHE N N 157 123.459 123.459 119.940 3.519 25554 5815 1 6 . 1 1 157 157 PHE C C 157 174.221 174.221 176.550 -2.329 25554 5816 1 6 . 1 1 157 157 PHE CA C 157 57.507 57.507 61.505 -3.998 25554 5817 1 6 . 1 1 157 157 PHE CB C 157 39.353 39.353 39.305 0.048 25554 5818 1 6 . 1 1 157 157 PHE H H 157 7.429 7.429 8.207 -0.778 25554 5819 1 6 . 1 1 158 158 GLU N N 158 112.568 112.568 117.504 -4.936 25554 5820 1 6 . 1 1 158 158 GLU C C 158 176.566 176.566 178.383 -1.817 25554 5821 1 6 . 1 1 158 158 GLU CA C 158 72.147 72.147 59.098 13.049 25554 5822 1 6 . 1 1 158 158 GLU CB C 158 27.640 27.640 28.811 -1.171 25554 5823 1 6 . 1 1 158 158 GLU H H 158 7.495 7.495 9.064 -1.569 25554 5824 1 6 . 1 1 159 159 LYS N N 159 113.232 113.232 120.163 -6.931 25554 5825 1 6 . 1 1 159 159 LYS C C 159 176.566 176.566 175.882 0.684 25554 5826 1 6 . 1 1 159 159 LYS CA C 159 53.993 53.993 60.571 -6.578 25554 5827 1 6 . 1 1 159 159 LYS CB C 159 33.496 33.496 30.153 3.343 25554 5828 1 6 . 1 1 159 159 LYS H H 159 6.862 6.862 7.391 -0.529 25554 5829 1 6 . 1 1 160 160 PRO C C 160 176.273 176.273 178.423 -2.150 25554 5830 1 6 . 1 1 160 160 PRO CA C 160 64.258 64.258 65.691 -1.433 25554 5831 1 6 . 1 1 160 160 PRO CB C 160 32.318 32.318 31.162 1.156 25554 5832 1 6 . 1 1 161 161 PHE N N 161 120.271 120.271 116.179 4.092 25554 5833 1 6 . 1 1 161 161 PHE C C 161 175.100 175.100 177.721 -2.621 25554 5834 1 6 . 1 1 161 161 PHE CA C 161 56.336 56.336 61.546 -5.210 25554 5835 1 6 . 1 1 161 161 PHE CB C 161 39.353 39.353 38.059 1.294 25554 5836 1 6 . 1 1 161 161 PHE H H 161 8.074 8.074 7.251 0.823 25554 5837 1 6 . 1 1 162 162 LEU N N 162 110.177 110.177 121.117 -10.940 25554 5838 1 6 . 1 1 162 162 LEU C C 162 176.273 176.273 177.885 -1.612 25554 5839 1 6 . 1 1 162 162 LEU CA C 162 55.750 55.750 58.111 -2.361 25554 5840 1 6 . 1 1 162 162 LEU CB C 162 44.037 44.037 41.337 2.700 25554 5841 1 6 . 1 1 162 162 LEU H H 162 7.527 7.527 8.591 -1.064 25554 5842 1 6 . 1 1 163 163 TRP N N 163 123.525 123.525 121.010 2.515 25554 5843 1 6 . 1 1 163 163 TRP C C 163 177.152 177.152 178.046 -0.894 25554 5844 1 6 . 1 1 163 163 TRP CA C 163 61.606 61.606 62.413 -0.807 25554 5845 1 6 . 1 1 163 163 TRP CB C 163 28.811 28.811 29.514 -0.702 25554 5846 1 6 . 1 1 163 163 TRP H H 163 7.476 7.476 7.793 -0.317 25554 5847 1 6 . 1 1 164 164 LEU N N 164 119.740 119.740 119.087 0.653 25554 5848 1 6 . 1 1 164 164 LEU C C 164 175.686 175.686 178.924 -3.238 25554 5849 1 6 . 1 1 164 164 LEU CA C 164 61.020 61.020 57.792 3.228 25554 5850 1 6 . 1 1 164 164 LEU CB C 164 45.794 45.794 41.271 4.523 25554 5851 1 6 . 1 1 164 164 LEU H H 164 9.412 9.412 7.861 1.551 25554 5852 1 6 . 1 1 165 165 ALA N N 165 118.013 118.013 121.698 -3.685 25554 5853 1 6 . 1 1 165 165 ALA C C 165 165.723 165.723 179.542 -13.819 25554 5854 1 6 . 1 1 165 165 ALA CA C 165 52.236 52.236 55.301 -3.065 25554 5855 1 6 . 1 1 165 165 ALA CB C 165 21.784 21.784 18.108 3.676 25554 5856 1 6 . 1 1 165 165 ALA H H 165 7.707 7.707 8.337 -0.630 25554 5857 1 6 . 1 1 166 166 ARG N N 166 122.994 122.994 118.034 4.960 25554 5858 1 6 . 1 1 166 166 ARG C C 166 175.979 175.979 178.982 -3.003 25554 5859 1 6 . 1 1 166 166 ARG CA C 166 49.308 49.308 59.212 -9.904 25554 5860 1 6 . 1 1 166 166 ARG CB C 166 29.397 29.397 29.989 -0.592 25554 5861 1 6 . 1 1 166 166 ARG H H 166 8.692 8.692 8.053 0.639 25554 5862 1 6 . 1 1 167 167 LYS N N 167 112.568 112.568 119.198 -6.630 25554 5863 1 6 . 1 1 167 167 LYS C C 167 176.273 176.273 179.038 -2.765 25554 5864 1 6 . 1 1 167 167 LYS CA C 167 58.092 58.092 58.447 -0.355 25554 5865 1 6 . 1 1 167 167 LYS CB C 167 34.668 34.668 31.502 3.166 25554 5866 1 6 . 1 1 167 167 LYS H H 167 6.819 6.819 7.674 -0.855 25554 5867 1 6 . 1 1 168 168 LEU N N 168 114.959 114.959 118.555 -3.596 25554 5868 1 6 . 1 1 168 168 LEU C C 168 177.738 177.738 178.936 -1.198 25554 5869 1 6 . 1 1 168 168 LEU CA C 168 56.921 56.921 57.120 -0.199 25554 5870 1 6 . 1 1 168 168 LEU CB C 168 41.695 41.695 41.577 0.118 25554 5871 1 6 . 1 1 168 168 LEU H H 168 7.269 7.269 7.909 -0.640 25554 5872 1 6 . 1 1 169 169 ILE N N 169 124.986 124.986 116.932 8.054 25554 5873 1 6 . 1 1 169 169 ILE C C 169 171.877 171.877 176.992 -5.115 25554 5874 1 6 . 1 1 169 169 ILE CA C 169 68.048 68.048 62.701 5.347 25554 5875 1 6 . 1 1 169 169 ILE CB C 169 39.353 39.353 38.769 0.584 25554 5876 1 6 . 1 1 169 169 ILE H H 169 8.915 8.915 8.116 0.799 25554 5877 1 6 . 1 1 170 170 GLY N N 170 113.099 113.099 107.460 5.639 25554 5878 1 6 . 1 1 170 170 GLY C C 170 162.496 162.496 173.875 -11.379 25554 5879 1 6 . 1 1 170 170 GLY CA C 170 44.037 44.037 44.972 -0.935 25554 5880 1 6 . 1 1 170 170 GLY H H 170 6.686 6.686 8.137 -1.451 25554 5881 1 6 . 1 1 171 171 ASP N N 171 113.232 113.232 121.474 -8.242 25554 5882 1 6 . 1 1 171 171 ASP C C 171 178.910 178.910 175.337 3.573 25554 5883 1 6 . 1 1 171 171 ASP CA C 171 50.479 50.479 50.507 -0.028 25554 5884 1 6 . 1 1 171 171 ASP CB C 171 41.109 41.109 41.773 -0.664 25554 5885 1 6 . 1 1 171 171 ASP H H 171 6.815 6.815 7.614 -0.799 25554 5886 1 6 . 1 1 172 172 PRO C C 172 176.566 176.566 177.291 -0.725 25554 5887 1 6 . 1 1 172 172 PRO CA C 172 63.965 63.965 64.325 -0.360 25554 5888 1 6 . 1 1 172 172 PRO CB C 172 31.732 31.732 32.254 -0.522 25554 5889 1 6 . 1 1 173 173 ASN N N 173 109.779 109.779 114.170 -4.391 25554 5890 1 6 . 1 1 173 173 ASN C C 173 175.979 175.979 175.641 0.338 25554 5891 1 6 . 1 1 173 173 ASN CA C 173 54.579 54.579 54.026 0.552 25554 5892 1 6 . 1 1 173 173 ASN CB C 173 36.424 36.424 38.798 -2.374 25554 5893 1 6 . 1 1 173 173 ASN H H 173 8.016 8.016 8.826 -0.810 25554 5894 1 6 . 1 1 174 174 LEU N N 174 109.248 109.248 122.647 -13.399 25554 5895 1 6 . 1 1 174 174 LEU C C 174 176.566 176.566 174.984 1.582 25554 5896 1 6 . 1 1 174 174 LEU CA C 174 56.336 56.336 55.995 0.341 25554 5897 1 6 . 1 1 174 174 LEU CB C 174 44.037 44.037 42.480 1.557 25554 5898 1 6 . 1 1 174 174 LEU H H 174 7.871 7.871 7.185 0.686 25554 5899 1 6 . 1 1 175 175 GLU N N 175 125.185 125.185 125.833 -0.648 25554 5900 1 6 . 1 1 175 175 GLU C C 175 177.445 177.445 174.574 2.871 25554 5901 1 6 . 1 1 175 175 GLU CA C 175 76.247 76.247 54.635 21.613 25554 5902 1 6 . 1 1 175 175 GLU CB C 175 28.811 28.811 33.465 -4.654 25554 5903 1 6 . 1 1 175 175 GLU H H 175 9.127 9.127 8.301 0.826 25554 5904 1 6 . 1 1 176 176 PHE N N 176 136.873 136.873 121.445 15.428 25554 5905 1 6 . 1 1 176 176 PHE C C 176 178.617 178.617 176.275 2.342 25554 5906 1 6 . 1 1 176 176 PHE CA C 176 59.264 59.264 56.669 2.595 25554 5907 1 6 . 1 1 176 176 PHE CB C 176 44.623 44.623 39.443 5.180 25554 5908 1 6 . 1 1 176 176 PHE H H 176 10.058 10.058 8.623 1.435 25554 5909 1 6 . 1 1 177 177 VAL N N 177 118.877 118.877 124.897 -6.020 25554 5910 1 6 . 1 1 177 177 VAL C C 177 177.445 177.445 175.864 1.581 25554 5911 1 6 . 1 1 177 177 VAL CA C 177 62.777 62.777 64.387 -1.610 25554 5912 1 6 . 1 1 177 177 VAL CB C 177 34.668 34.668 32.596 2.072 25554 5913 1 6 . 1 1 177 177 VAL H H 177 7.789 7.789 9.389 -1.600 25554 5914 1 6 . 1 1 178 178 ALA N N 178 128.904 128.904 121.571 7.333 25554 5915 1 6 . 1 1 178 178 ALA CA C 178 57.507 57.507 50.776 6.731 25554 5916 1 6 . 1 1 178 178 ALA CB C 178 19.441 19.441 21.538 -2.098 25554 5917 1 6 . 1 1 178 178 ALA H H 178 7.566 7.566 7.823 -0.257 25554 5918 1 6 . 1 1 179 179 MET N N 179 120.736 120.736 123.552 -2.816 25554 5919 1 6 . 1 1 179 179 MET C C 179 176.859 176.859 174.346 2.513 25554 5920 1 6 . 1 1 179 179 MET CA C 179 56.336 56.336 53.737 2.599 25554 5921 1 6 . 1 1 179 179 MET CB C 179 34.668 34.668 32.781 1.887 25554 5922 1 6 . 1 1 179 179 MET H H 179 7.930 7.930 8.646 -0.716 25554 5923 1 6 . 1 1 180 180 PRO C C 180 177.445 177.445 176.246 1.199 25554 5924 1 6 . 1 1 180 180 PRO CA C 180 64.844 64.844 62.589 2.255 25554 5925 1 6 . 1 1 180 180 PRO CB C 180 29.974 29.974 31.652 -1.678 25554 5926 1 6 . 1 1 181 181 ALA N N 181 128.439 128.439 124.861 3.578 25554 5927 1 6 . 1 1 181 181 ALA C C 181 176.273 176.273 175.722 0.551 25554 5928 1 6 . 1 1 181 181 ALA CA C 181 58.092 58.092 52.685 5.407 25554 5929 1 6 . 1 1 181 181 ALA CB C 181 21.198 21.198 19.306 1.892 25554 5930 1 6 . 1 1 181 181 ALA H H 181 8.673 8.673 8.249 0.424 25554 5931 1 6 . 1 1 182 182 LEU N N 182 122.130 122.130 123.534 -1.404 25554 5932 1 6 . 1 1 182 182 LEU C C 182 177.445 177.445 176.637 0.808 25554 5933 1 6 . 1 1 182 182 LEU CA C 182 55.164 55.164 52.525 2.639 25554 5934 1 6 . 1 1 182 182 LEU CB C 182 42.866 42.866 45.580 -2.714 25554 5935 1 6 . 1 1 182 182 LEU H H 182 8.821 8.821 7.977 0.844 25554 5936 1 6 . 1 1 183 183 ALA N N 183 108.783 108.783 125.808 -17.025 25554 5937 1 6 . 1 1 183 183 ALA C C 183 160.742 160.742 175.333 -14.591 25554 5938 1 6 . 1 1 183 183 ALA CA C 183 51.651 51.651 50.614 1.037 25554 5939 1 6 . 1 1 183 183 ALA CB C 183 18.856 18.856 18.040 0.816 25554 5940 1 6 . 1 1 183 183 ALA H H 183 7.621 7.621 8.556 -0.935 25554 5941 1 6 . 1 1 184 184 PRO C C 184 177.152 177.152 174.828 2.324 25554 5942 1 6 . 1 1 184 184 PRO CA C 184 64.258 64.258 61.880 2.378 25554 5943 1 6 . 1 1 184 184 PRO CB C 184 29.681 29.681 31.511 -1.830 25554 5944 1 6 . 1 1 185 185 PRO C C 185 175.686 175.686 177.091 -1.405 25554 5945 1 6 . 1 1 185 185 PRO CA C 185 63.379 63.379 63.107 0.272 25554 5946 1 6 . 1 1 185 185 PRO CB C 185 35.248 35.248 32.252 2.997 25554 5947 1 6 . 1 1 186 186 GLU N N 186 104.931 104.931 124.488 -19.557 25554 5948 1 6 . 1 1 186 186 GLU C C 186 174.221 174.221 176.574 -2.353 25554 5949 1 6 . 1 1 186 186 GLU CA C 186 57.507 57.507 58.631 -1.124 25554 5950 1 6 . 1 1 186 186 GLU CB C 186 31.739 31.739 30.191 1.548 25554 5951 1 6 . 1 1 186 186 GLU H H 186 8.673 8.673 8.714 -0.041 25554 5952 1 6 . 1 1 187 187 VAL N N 187 124.455 124.455 111.572 12.883 25554 5953 1 6 . 1 1 187 187 VAL C C 187 178.910 178.910 174.304 4.606 25554 5954 1 6 . 1 1 187 187 VAL CA C 187 63.363 63.363 60.033 3.330 25554 5955 1 6 . 1 1 187 187 VAL CB C 187 34.082 34.082 34.908 -0.826 25554 5956 1 6 . 1 1 187 187 VAL H H 187 8.622 8.622 7.444 1.178 25554 5957 1 6 . 1 1 188 188 VAL N N 188 128.572 128.572 121.831 6.741 25554 5958 1 6 . 1 1 188 188 VAL C C 188 178.324 178.324 175.022 3.302 25554 5959 1 6 . 1 1 188 188 VAL CA C 188 68.634 68.634 61.147 7.487 25554 5960 1 6 . 1 1 188 188 VAL CB C 188 31.154 31.154 33.022 -1.868 25554 5961 1 6 . 1 1 188 188 VAL H H 188 8.497 8.497 8.205 0.292 25554 5962 1 6 . 1 1 189 189 MET N N 189 122.795 122.795 126.875 -4.080 25554 5963 1 6 . 1 1 189 189 MET C C 189 177.445 177.445 175.132 2.313 25554 5964 1 6 . 1 1 189 189 MET CA C 189 55.164 55.164 54.797 0.367 25554 5965 1 6 . 1 1 189 189 MET CB C 189 35.253 35.253 33.567 1.686 25554 5966 1 6 . 1 1 189 189 MET H H 189 6.991 6.991 8.462 -1.471 25554 5967 1 6 . 1 1 190 190 ASP N N 190 114.959 114.959 128.404 -13.445 25554 5968 1 6 . 1 1 190 190 ASP C C 190 175.686 175.686 175.661 0.025 25554 5969 1 6 . 1 1 190 190 ASP CA C 190 51.065 51.065 52.297 -1.232 25554 5970 1 6 . 1 1 190 190 ASP CB C 190 41.695 41.695 42.106 -0.411 25554 5971 1 6 . 1 1 190 190 ASP H H 190 7.210 7.210 8.529 -1.319 25554 5972 1 6 . 1 1 191 191 PRO C C 191 176.566 176.566 178.048 -1.482 25554 5973 1 6 . 1 1 191 191 PRO CA C 191 63.965 63.965 65.387 -1.422 25554 5974 1 6 . 1 1 191 191 PRO CB C 191 31.146 31.146 31.737 -0.591 25554 5975 1 6 . 1 1 192 192 ALA N N 192 109.513 109.513 119.052 -9.539 25554 5976 1 6 . 1 1 192 192 ALA CA C 192 53.993 53.993 54.791 -0.798 25554 5977 1 6 . 1 1 192 192 ALA CB C 192 19.441 19.441 18.094 1.347 25554 5978 1 6 . 1 1 192 192 ALA H H 192 7.394 7.394 8.494 -1.100 25554 5979 1 6 . 1 1 193 193 LEU N N 193 119.009 119.009 119.335 -0.326 25554 5980 1 6 . 1 1 193 193 LEU C C 193 175.979 175.979 178.569 -2.590 25554 5981 1 6 . 1 1 193 193 LEU CA C 193 56.336 56.336 57.039 -0.703 25554 5982 1 6 . 1 1 193 193 LEU CB C 193 42.866 42.866 41.426 1.440 25554 5983 1 6 . 1 1 193 193 LEU H H 193 8.340 8.340 7.838 0.502 25554 5984 1 6 . 1 1 194 194 ALA N N 194 121.666 121.666 121.713 -0.047 25554 5985 1 6 . 1 1 194 194 ALA C C 194 166.896 166.896 179.123 -12.227 25554 5986 1 6 . 1 1 194 194 ALA CA C 194 55.164 55.164 54.887 0.277 25554 5987 1 6 . 1 1 194 194 ALA CB C 194 16.513 16.513 17.930 -1.417 25554 5988 1 6 . 1 1 194 194 ALA H H 194 8.176 8.176 8.129 0.047 25554 5989 1 6 . 1 1 195 195 ALA N N 195 119.541 119.541 121.081 -1.540 25554 5990 1 6 . 1 1 195 195 ALA C C 195 173.928 173.928 179.719 -5.791 25554 5991 1 6 . 1 1 195 195 ALA CA C 195 57.507 57.507 54.887 2.620 25554 5992 1 6 . 1 1 195 195 ALA CB C 195 19.441 19.441 18.343 1.099 25554 5993 1 6 . 1 1 195 195 ALA H H 195 8.364 8.364 8.318 0.046 25554 5994 1 6 . 1 1 196 196 GLN N N 196 107.322 107.322 118.508 -11.186 25554 5995 1 6 . 1 1 196 196 GLN C C 196 176.273 176.273 178.655 -2.382 25554 5996 1 6 . 1 1 196 196 GLN CA C 196 56.921 56.921 59.195 -2.274 25554 5997 1 6 . 1 1 196 196 GLN CB C 196 29.983 29.983 28.685 1.298 25554 5998 1 6 . 1 1 196 196 GLN H H 196 7.910 7.910 7.868 0.042 25554 5999 1 6 . 1 1 197 197 TYR N N 197 115.623 115.623 119.296 -3.673 25554 6000 1 6 . 1 1 197 197 TYR CA C 197 67.462 67.462 58.926 8.536 25554 6001 1 6 . 1 1 197 197 TYR CB C 197 41.695 41.695 37.604 4.091 25554 6002 1 6 . 1 1 197 197 TYR H H 197 8.196 8.196 8.323 -0.127 25554 6003 1 6 . 1 1 198 198 GLU N N 198 110.244 110.244 120.275 -10.031 25554 6004 1 6 . 1 1 198 198 GLU C C 198 176.273 176.273 178.928 -2.655 25554 6005 1 6 . 1 1 198 198 GLU CA C 198 53.407 53.407 59.448 -6.041 25554 6006 1 6 . 1 1 198 198 GLU CB C 198 30.568 30.568 29.648 0.920 25554 6007 1 6 . 1 1 198 198 GLU H H 198 7.523 7.523 8.391 -0.868 25554 6008 1 6 . 1 1 199 199 HIS N N 199 118.611 118.611 120.270 -1.659 25554 6009 1 6 . 1 1 199 199 HIS C C 199 175.686 175.686 177.320 -1.634 25554 6010 1 6 . 1 1 199 199 HIS CA C 199 56.921 56.921 59.624 -2.703 25554 6011 1 6 . 1 1 199 199 HIS CB C 199 28.226 28.226 29.861 -1.635 25554 6012 1 6 . 1 1 199 199 HIS H H 199 8.512 8.512 8.406 0.106 25554 6013 1 6 . 1 1 200 200 ASP N N 200 120.736 120.736 120.272 0.464 25554 6014 1 6 . 1 1 200 200 ASP C C 200 176.273 176.273 178.686 -2.413 25554 6015 1 6 . 1 1 200 200 ASP CA C 200 56.921 56.921 57.401 -0.480 25554 6016 1 6 . 1 1 200 200 ASP CB C 200 40.524 40.524 40.492 0.032 25554 6017 1 6 . 1 1 200 200 ASP H H 200 7.519 7.519 8.709 -1.190 25554 6018 1 6 . 1 1 201 201 LEU N N 201 116.353 116.353 120.973 -4.620 25554 6019 1 6 . 1 1 201 201 LEU C C 201 178.910 178.910 178.398 0.512 25554 6020 1 6 . 1 1 201 201 LEU CA C 201 61.606 61.606 58.257 3.349 25554 6021 1 6 . 1 1 201 201 LEU CB C 201 41.109 41.109 42.073 -0.964 25554 6022 1 6 . 1 1 201 201 LEU H H 201 7.722 7.722 8.345 -0.623 25554 6023 1 6 . 1 1 202 202 GLU N N 202 118.080 118.080 119.516 -1.436 25554 6024 1 6 . 1 1 202 202 GLU C C 202 176.566 176.566 179.232 -2.666 25554 6025 1 6 . 1 1 202 202 GLU CA C 202 56.921 56.921 59.845 -2.924 25554 6026 1 6 . 1 1 202 202 GLU CB C 202 30.568 30.568 29.552 1.016 25554 6027 1 6 . 1 1 202 202 GLU H H 202 8.857 8.857 7.976 0.881 25554 6028 1 6 . 1 1 203 203 VAL N N 203 129.369 129.369 120.069 9.300 25554 6029 1 6 . 1 1 203 203 VAL C C 203 178.617 178.617 177.772 0.845 25554 6030 1 6 . 1 1 203 203 VAL CA C 203 64.534 64.534 66.484 -1.950 25554 6031 1 6 . 1 1 203 203 VAL CB C 203 27.640 27.640 31.503 -3.863 25554 6032 1 6 . 1 1 203 203 VAL H H 203 9.283 9.283 8.183 1.100 25554 6033 1 6 . 1 1 204 204 ALA N N 204 109.580 109.580 120.803 -11.223 25554 6034 1 6 . 1 1 204 204 ALA C C 204 176.859 176.859 179.465 -2.606 25554 6035 1 6 . 1 1 204 204 ALA CA C 204 54.579 54.579 54.184 0.396 25554 6036 1 6 . 1 1 204 204 ALA CB C 204 18.270 18.270 18.667 -0.397 25554 6037 1 6 . 1 1 204 204 ALA H H 204 8.528 8.528 7.818 0.710 25554 6038 1 6 . 1 1 205 205 GLN N N 205 115.756 115.756 117.010 -1.254 25554 6039 1 6 . 1 1 205 205 GLN C C 205 175.979 175.979 178.042 -2.063 25554 6040 1 6 . 1 1 205 205 GLN CA C 205 48.137 48.137 57.975 -9.838 25554 6041 1 6 . 1 1 205 205 GLN CB C 205 25.883 25.883 28.742 -2.859 25554 6042 1 6 . 1 1 205 205 GLN H H 205 7.973 7.973 8.143 -0.171 25554 6043 1 6 . 1 1 206 206 THR N N 206 120.271 120.271 115.473 4.798 25554 6044 1 6 . 1 1 206 206 THR C C 206 176.273 176.273 175.256 1.017 25554 6045 1 6 . 1 1 206 206 THR CA C 206 67.462 67.462 64.983 2.479 25554 6046 1 6 . 1 1 206 206 THR CB C 206 70.390 70.390 69.441 0.949 25554 6047 1 6 . 1 1 206 206 THR H H 206 7.585 7.585 7.913 -0.328 25554 6048 1 6 . 1 1 207 207 THR N N 207 111.970 111.970 114.935 -2.965 25554 6049 1 6 . 1 1 207 207 THR C C 207 176.566 176.566 172.427 4.139 25554 6050 1 6 . 1 1 207 207 THR CA C 207 64.534 64.534 60.614 3.920 25554 6051 1 6 . 1 1 207 207 THR CB C 207 72.733 72.733 70.646 2.087 25554 6052 1 6 . 1 1 207 207 THR H H 207 7.468 7.468 7.815 -0.347 25554 6053 1 6 . 1 1 208 208 ALA N N 208 115.623 115.623 128.347 -12.724 25554 6054 1 6 . 1 1 208 208 ALA C C 208 168.947 168.947 176.885 -7.938 25554 6055 1 6 . 1 1 208 208 ALA CA C 208 55.164 55.164 50.863 4.301 25554 6056 1 6 . 1 1 208 208 ALA CB C 208 22.369 22.369 20.277 2.092 25554 6057 1 6 . 1 1 208 208 ALA H H 208 7.390 7.390 8.352 -0.962 25554 6058 1 6 . 1 1 209 209 LEU N N 209 117.814 117.814 125.439 -7.625 25554 6059 1 6 . 1 1 209 209 LEU C C 209 176.273 176.273 175.910 0.363 25554 6060 1 6 . 1 1 209 209 LEU CA C 209 58.678 58.678 52.727 5.951 25554 6061 1 6 . 1 1 209 209 LEU CB C 209 46.380 46.380 42.212 4.168 25554 6062 1 6 . 1 1 209 209 LEU H H 209 7.652 7.652 8.365 -0.713 25554 6063 1 6 . 1 1 210 210 PRO C C 210 176.566 176.566 176.280 0.286 25554 6064 1 6 . 1 1 210 210 PRO CA C 210 63.086 63.086 64.253 -1.167 25554 6065 1 6 . 1 1 210 210 PRO CB C 210 31.146 31.146 31.980 -0.834 25554 6066 1 6 . 1 1 211 211 ASP N N 211 121.134 121.134 116.240 4.894 25554 6067 1 6 . 1 1 211 211 ASP C C 211 176.273 176.273 175.350 0.923 25554 6068 1 6 . 1 1 211 211 ASP CA C 211 52.236 52.236 53.036 -0.800 25554 6069 1 6 . 1 1 211 211 ASP CB C 211 42.281 42.281 42.587 -0.306 25554 6070 1 6 . 1 1 211 211 ASP H H 211 9.510 9.510 7.788 1.722 25554 6071 1 6 . 1 1 212 212 GLU N N 212 131.162 131.162 121.985 9.177 25554 6072 1 6 . 1 1 212 212 GLU C C 212 176.273 176.273 174.684 1.589 25554 6073 1 6 . 1 1 212 212 GLU CA C 212 55.164 55.164 55.483 -0.319 25554 6074 1 6 . 1 1 212 212 GLU CB C 212 30.568 30.568 31.235 -0.667 25554 6075 1 6 . 1 1 212 212 GLU H H 212 8.399 8.399 8.245 0.154 25554 6076 1 6 . 1 1 213 213 ASP N N 213 115.822 115.822 125.867 -10.045 25554 6077 1 6 . 1 1 213 213 ASP C C 213 174.807 174.807 175.557 -0.750 25554 6078 1 6 . 1 1 213 213 ASP CA C 213 51.065 51.065 53.474 -2.409 25554 6079 1 6 . 1 1 213 213 ASP CB C 213 41.109 41.109 42.546 -1.437 25554 6080 1 6 . 1 1 213 213 ASP H H 213 10.699 10.699 8.347 2.352 25554 6081 1 6 . 1 1 214 214 ASP N N 214 112.369 112.369 124.521 -12.152 25554 6082 1 6 . 1 1 214 214 ASP C C 214 178.910 178.910 177.280 1.630 25554 6083 1 6 . 1 1 214 214 ASP CA C 214 54.579 54.579 56.626 -2.047 25554 6084 1 6 . 1 1 214 214 ASP CB C 214 39.353 39.353 40.814 -1.461 25554 6085 1 6 . 1 1 214 214 ASP H H 214 7.464 7.464 8.611 -1.147 25554 6086 1 6 . 1 1 215 215 ASP N N 215 127.244 127.244 119.074 8.170 25554 6087 1 6 . 1 1 215 215 ASP C C 215 176.859 176.859 176.600 0.259 25554 6088 1 6 . 1 1 215 215 ASP CA C 215 54.579 54.579 55.977 -1.398 25554 6089 1 6 . 1 1 215 215 ASP CB C 215 40.524 40.524 41.159 -0.635 25554 6090 1 6 . 1 1 215 215 ASP H H 215 8.301 8.301 8.428 -0.127 25554 6091 1 7 . 1 1 2 2 ALA N N 2 131.228 131.228 122.686 8.542 25554 6092 1 7 . 1 1 2 2 ALA C C 2 187.031 187.031 177.708 9.323 25554 6093 1 7 . 1 1 2 2 ALA CA C 2 53.407 53.407 53.119 0.288 25554 6094 1 7 . 1 1 2 2 ALA CB C 2 20.027 20.027 18.913 1.114 25554 6095 1 7 . 1 1 2 2 ALA H H 2 10.644 10.644 8.041 2.603 25554 6096 1 7 . 1 1 3 3 ALA N N 3 124.521 124.521 122.243 2.278 25554 6097 1 7 . 1 1 3 3 ALA C C 3 176.566 176.566 177.452 -0.886 25554 6098 1 7 . 1 1 3 3 ALA CA C 3 49.894 49.894 51.650 -1.756 25554 6099 1 7 . 1 1 3 3 ALA CB C 3 18.270 18.270 19.359 -1.089 25554 6100 1 7 . 1 1 3 3 ALA H H 3 8.669 8.669 7.926 0.743 25554 6101 1 7 . 1 1 4 4 GLN N N 4 118.080 118.080 121.664 -3.584 25554 6102 1 7 . 1 1 4 4 GLN C C 4 176.273 176.273 177.543 -1.270 25554 6103 1 7 . 1 1 4 4 GLN CA C 4 54.579 54.579 56.498 -1.919 25554 6104 1 7 . 1 1 4 4 GLN CB C 4 27.054 27.054 29.206 -2.152 25554 6105 1 7 . 1 1 4 4 GLN H H 4 8.919 8.919 8.536 0.383 25554 6106 1 7 . 1 1 5 5 GLY N N 5 121.002 121.002 111.401 9.601 25554 6107 1 7 . 1 1 5 5 GLY C C 5 181.877 181.877 173.916 7.961 25554 6108 1 7 . 1 1 5 5 GLY CA C 5 45.794 45.794 44.972 0.822 25554 6109 1 7 . 1 1 5 5 GLY H H 5 8.082 8.082 8.670 -0.588 25554 6110 1 7 . 1 1 6 6 GLU N N 6 129.435 129.435 121.712 7.723 25554 6111 1 7 . 1 1 6 6 GLU C C 6 176.566 176.566 174.471 2.095 25554 6112 1 7 . 1 1 6 6 GLU CA C 6 56.336 56.336 53.465 2.871 25554 6113 1 7 . 1 1 6 6 GLU CB C 6 28.811 28.811 30.501 -1.690 25554 6114 1 7 . 1 1 6 6 GLU H H 6 9.267 9.267 8.152 1.115 25554 6115 1 7 . 1 1 7 7 PRO C C 7 176.566 176.566 176.438 0.128 25554 6116 1 7 . 1 1 7 7 PRO CA C 7 63.672 63.672 62.723 0.949 25554 6117 1 7 . 1 1 7 7 PRO CB C 7 31.146 31.146 32.279 -1.133 25554 6118 1 7 . 1 1 8 8 GLN N N 8 112.502 112.502 118.595 -6.093 25554 6119 1 7 . 1 1 8 8 GLN C C 8 177.445 177.445 176.017 1.428 25554 6120 1 7 . 1 1 8 8 GLN CA C 8 50.479 50.479 55.984 -5.505 25554 6121 1 7 . 1 1 8 8 GLN CB C 8 28.811 28.811 29.302 -0.491 25554 6122 1 7 . 1 1 8 8 GLN H H 8 6.220 6.220 8.254 -2.034 25554 6123 1 7 . 1 1 9 9 VAL N N 9 117.416 117.416 123.361 -5.945 25554 6124 1 7 . 1 1 9 9 VAL C C 9 178.324 178.324 174.443 3.881 25554 6125 1 7 . 1 1 9 9 VAL CA C 9 63.363 63.363 62.386 0.977 25554 6126 1 7 . 1 1 9 9 VAL CB C 9 34.668 34.668 32.198 2.470 25554 6127 1 7 . 1 1 9 9 VAL H H 9 6.561 6.561 8.135 -1.574 25554 6128 1 7 . 1 1 10 10 GLN N N 10 113.896 113.896 124.731 -10.835 25554 6129 1 7 . 1 1 10 10 GLN C C 10 176.273 176.273 174.776 1.497 25554 6130 1 7 . 1 1 10 10 GLN CA C 10 55.164 55.164 53.546 1.618 25554 6131 1 7 . 1 1 10 10 GLN CB C 10 28.226 28.226 32.577 -4.351 25554 6132 1 7 . 1 1 10 10 GLN H H 10 7.847 7.847 8.156 -0.309 25554 6133 1 7 . 1 1 11 11 PHE N N 11 118.744 118.744 122.131 -3.387 25554 6134 1 7 . 1 1 11 11 PHE C C 11 176.566 176.566 174.811 1.755 25554 6135 1 7 . 1 1 11 11 PHE CA C 11 59.849 59.849 56.422 3.427 25554 6136 1 7 . 1 1 11 11 PHE CB C 11 41.109 41.109 42.548 -1.439 25554 6137 1 7 . 1 1 11 11 PHE H H 11 8.262 8.262 8.896 -0.634 25554 6138 1 7 . 1 1 12 12 LYS N N 12 124.123 124.123 123.379 0.744 25554 6139 1 7 . 1 1 12 12 LYS C C 12 177.152 177.152 175.075 2.077 25554 6140 1 7 . 1 1 12 12 LYS CA C 12 57.507 57.507 56.474 1.033 25554 6141 1 7 . 1 1 12 12 LYS CB C 12 28.811 28.811 33.427 -4.616 25554 6142 1 7 . 1 1 12 12 LYS H H 12 8.415 8.415 9.041 -0.626 25554 6143 1 7 . 1 1 13 13 LEU N N 13 112.103 112.103 127.596 -15.493 25554 6144 1 7 . 1 1 13 13 LEU C C 13 177.738 177.738 174.900 2.838 25554 6145 1 7 . 1 1 13 13 LEU CA C 13 54.579 54.579 53.301 1.278 25554 6146 1 7 . 1 1 13 13 LEU CB C 13 42.866 42.866 46.022 -3.156 25554 6147 1 7 . 1 1 13 13 LEU H H 13 6.905 6.905 9.205 -2.300 25554 6148 1 7 . 1 1 14 14 VAL N N 14 127.310 127.310 127.358 -0.048 25554 6149 1 7 . 1 1 14 14 VAL C C 14 175.393 175.393 174.516 0.877 25554 6150 1 7 . 1 1 14 14 VAL CA C 14 70.976 70.976 62.122 8.854 25554 6151 1 7 . 1 1 14 14 VAL CB C 14 28.811 28.811 32.515 -3.704 25554 6152 1 7 . 1 1 14 14 VAL H H 14 8.305 8.305 9.189 -0.884 25554 6153 1 7 . 1 1 15 15 LEU N N 15 121.400 121.400 129.419 -8.019 25554 6154 1 7 . 1 1 15 15 LEU C C 15 173.342 173.342 176.151 -2.809 25554 6155 1 7 . 1 1 15 15 LEU CA C 15 56.336 56.336 53.635 2.701 25554 6156 1 7 . 1 1 15 15 LEU CB C 15 41.695 41.695 43.246 -1.551 25554 6157 1 7 . 1 1 15 15 LEU H H 15 7.785 7.785 8.430 -0.645 25554 6158 1 7 . 1 1 16 16 VAL N N 16 121.267 121.267 115.721 5.546 25554 6159 1 7 . 1 1 16 16 VAL C C 16 178.324 178.324 174.459 3.865 25554 6160 1 7 . 1 1 16 16 VAL CA C 16 63.363 63.363 58.683 4.680 25554 6161 1 7 . 1 1 16 16 VAL CB C 16 35.839 35.839 35.745 0.095 25554 6162 1 7 . 1 1 16 16 VAL H H 16 8.935 8.935 8.967 -0.032 25554 6163 1 7 . 1 1 17 17 GLY N N 17 127.908 127.908 107.436 20.472 25554 6164 1 7 . 1 1 17 17 GLY C C 17 174.514 174.514 171.973 2.541 25554 6165 1 7 . 1 1 17 17 GLY CA C 17 42.281 42.281 44.739 -2.458 25554 6166 1 7 . 1 1 17 17 GLY H H 17 9.682 9.682 6.917 2.765 25554 6167 1 7 . 1 1 18 18 ASP N N 18 119.673 119.673 120.478 -0.805 25554 6168 1 7 . 1 1 18 18 ASP C C 18 176.859 176.859 176.480 0.379 25554 6169 1 7 . 1 1 18 18 ASP CA C 18 55.750 55.750 53.184 2.567 25554 6170 1 7 . 1 1 18 18 ASP CB C 18 39.938 39.938 43.225 -3.287 25554 6171 1 7 . 1 1 18 18 ASP H H 18 7.879 7.879 7.950 -0.071 25554 6172 1 7 . 1 1 19 19 GLY N N 19 120.670 120.670 110.064 10.606 25554 6173 1 7 . 1 1 19 19 GLY C C 19 178.324 178.324 174.934 3.390 25554 6174 1 7 . 1 1 19 19 GLY CA C 19 42.281 42.281 45.568 -3.287 25554 6175 1 7 . 1 1 19 19 GLY H H 19 8.825 8.825 8.675 0.150 25554 6176 1 7 . 1 1 20 20 GLY N N 20 129.369 129.369 111.359 18.010 25554 6177 1 7 . 1 1 20 20 GLY C C 20 174.221 174.221 175.315 -1.094 25554 6178 1 7 . 1 1 20 20 GLY CA C 20 41.695 41.695 45.499 -3.804 25554 6179 1 7 . 1 1 20 20 GLY H H 20 8.477 8.477 8.686 -0.209 25554 6180 1 7 . 1 1 21 21 THR N N 21 114.560 114.560 112.695 1.865 25554 6181 1 7 . 1 1 21 21 THR C C 21 178.617 178.617 175.128 3.489 25554 6182 1 7 . 1 1 21 21 THR CA C 21 62.192 62.192 60.725 1.467 25554 6183 1 7 . 1 1 21 21 THR CB C 21 70.390 70.390 69.188 1.202 25554 6184 1 7 . 1 1 21 21 THR H H 21 8.196 8.196 7.713 0.483 25554 6185 1 7 . 1 1 22 22 GLY N N 22 112.369 112.369 110.494 1.875 25554 6186 1 7 . 1 1 22 22 GLY C C 22 184.807 184.807 175.166 9.641 25554 6187 1 7 . 1 1 22 22 GLY CA C 22 45.209 45.209 45.517 -0.308 25554 6188 1 7 . 1 1 22 22 GLY H H 22 6.772 6.772 8.132 -1.360 25554 6189 1 7 . 1 1 23 23 LYS N N 23 124.056 124.056 120.135 3.921 25554 6190 1 7 . 1 1 23 23 LYS C C 23 176.566 176.566 178.049 -1.483 25554 6191 1 7 . 1 1 23 23 LYS CA C 23 56.921 56.921 59.367 -2.446 25554 6192 1 7 . 1 1 23 23 LYS CB C 23 35.839 35.839 32.103 3.736 25554 6193 1 7 . 1 1 23 23 LYS H H 23 8.180 8.180 8.124 0.056 25554 6194 1 7 . 1 1 24 24 THR N N 24 114.627 114.627 114.280 0.347 25554 6195 1 7 . 1 1 24 24 THR C C 24 178.324 178.324 176.597 1.727 25554 6196 1 7 . 1 1 24 24 THR CA C 24 62.192 62.192 66.639 -4.447 25554 6197 1 7 . 1 1 24 24 THR CB C 24 71.562 71.562 68.338 3.224 25554 6198 1 7 . 1 1 24 24 THR H H 24 8.469 8.469 8.426 0.043 25554 6199 1 7 . 1 1 25 25 THR N N 25 110.377 110.377 118.751 -8.374 25554 6200 1 7 . 1 1 25 25 THR C C 25 178.324 178.324 175.836 2.488 25554 6201 1 7 . 1 1 25 25 THR CA C 25 64.534 64.534 67.319 -2.785 25554 6202 1 7 . 1 1 25 25 THR CB C 25 71.562 71.562 68.599 2.963 25554 6203 1 7 . 1 1 25 25 THR H H 25 8.415 8.415 7.998 0.417 25554 6204 1 7 . 1 1 26 26 PHE N N 26 114.295 114.295 122.580 -8.285 25554 6205 1 7 . 1 1 26 26 PHE C C 26 174.514 174.514 177.131 -2.617 25554 6206 1 7 . 1 1 26 26 PHE CA C 26 53.407 53.407 61.617 -8.210 25554 6207 1 7 . 1 1 26 26 PHE CB C 26 40.524 40.524 39.110 1.414 25554 6208 1 7 . 1 1 26 26 PHE H H 26 7.707 7.707 8.118 -0.411 25554 6209 1 7 . 1 1 27 27 VAL N N 27 123.525 123.525 118.262 5.263 25554 6210 1 7 . 1 1 27 27 VAL C C 27 178.031 178.031 178.196 -0.165 25554 6211 1 7 . 1 1 27 27 VAL CA C 27 67.462 67.462 65.977 1.485 25554 6212 1 7 . 1 1 27 27 VAL CB C 27 29.397 29.397 31.483 -2.086 25554 6213 1 7 . 1 1 27 27 VAL H H 27 6.987 6.987 8.122 -1.135 25554 6214 1 7 . 1 1 28 28 LYS N N 28 114.228 114.228 118.355 -4.127 25554 6215 1 7 . 1 1 28 28 LYS C C 28 176.566 176.566 178.229 -1.663 25554 6216 1 7 . 1 1 28 28 LYS CA C 28 58.092 58.092 58.388 -0.296 25554 6217 1 7 . 1 1 28 28 LYS CB C 28 34.082 34.082 32.023 2.059 25554 6218 1 7 . 1 1 28 28 LYS H H 28 7.429 7.429 8.093 -0.664 25554 6219 1 7 . 1 1 29 29 ARG N N 29 112.037 112.037 115.742 -3.705 25554 6220 1 7 . 1 1 29 29 ARG C C 29 174.221 174.221 176.816 -2.595 25554 6221 1 7 . 1 1 29 29 ARG CA C 29 72.147 72.147 57.481 14.665 25554 6222 1 7 . 1 1 29 29 ARG CB C 29 37.596 37.596 29.568 8.028 25554 6223 1 7 . 1 1 29 29 ARG H H 29 6.803 6.803 7.441 -0.638 25554 6224 1 7 . 1 1 30 30 HIS N N 30 122.396 122.396 118.070 4.326 25554 6225 1 7 . 1 1 30 30 HIS C C 30 172.170 172.170 176.497 -4.327 25554 6226 1 7 . 1 1 30 30 HIS CA C 30 51.651 51.651 56.302 -4.651 25554 6227 1 7 . 1 1 30 30 HIS CB C 30 30.568 30.568 28.480 2.088 25554 6228 1 7 . 1 1 30 30 HIS H H 30 7.644 7.644 7.219 0.425 25554 6229 1 7 . 1 1 31 31 LEU N N 31 110.377 110.377 126.776 -16.399 25554 6230 1 7 . 1 1 31 31 LEU C C 31 178.031 178.031 178.328 -0.297 25554 6231 1 7 . 1 1 31 31 LEU CA C 31 55.164 55.164 57.987 -2.823 25554 6232 1 7 . 1 1 31 31 LEU CB C 31 42.281 42.281 41.658 0.622 25554 6233 1 7 . 1 1 31 31 LEU H H 31 7.894 7.894 8.458 -0.564 25554 6234 1 7 . 1 1 32 32 THR N N 32 118.213 118.213 115.110 3.103 25554 6235 1 7 . 1 1 32 32 THR C C 32 178.910 178.910 176.625 2.285 25554 6236 1 7 . 1 1 32 32 THR CA C 32 63.949 63.949 67.143 -3.194 25554 6237 1 7 . 1 1 32 32 THR CB C 32 72.733 72.733 68.237 4.496 25554 6238 1 7 . 1 1 32 32 THR H H 32 7.570 7.570 7.832 -0.262 25554 6239 1 7 . 1 1 33 33 GLY N N 33 127.841 127.841 109.362 18.479 25554 6240 1 7 . 1 1 33 33 GLY C C 33 161.914 161.914 175.949 -14.035 25554 6241 1 7 . 1 1 33 33 GLY CA C 33 42.866 42.866 46.725 -3.859 25554 6242 1 7 . 1 1 33 33 GLY H H 33 9.662 9.662 8.383 1.279 25554 6243 1 7 . 1 1 34 34 GLU N N 34 122.263 122.263 122.856 -0.593 25554 6244 1 7 . 1 1 34 34 GLU C C 34 176.859 176.859 179.288 -2.429 25554 6245 1 7 . 1 1 34 34 GLU CA C 34 51.651 51.651 58.235 -6.584 25554 6246 1 7 . 1 1 34 34 GLU CB C 34 29.397 29.397 29.275 0.122 25554 6247 1 7 . 1 1 34 34 GLU H H 34 7.140 7.140 7.615 -0.475 25554 6248 1 7 . 1 1 35 35 PHE N N 35 111.838 111.838 117.879 -6.041 25554 6249 1 7 . 1 1 35 35 PHE C C 35 174.221 174.221 177.979 -3.758 25554 6250 1 7 . 1 1 35 35 PHE CA C 35 49.308 49.308 60.118 -10.810 25554 6251 1 7 . 1 1 35 35 PHE CB C 35 41.695 41.695 38.911 2.784 25554 6252 1 7 . 1 1 35 35 PHE H H 35 6.772 6.772 7.916 -1.144 25554 6253 1 7 . 1 1 36 36 GLU N N 36 124.388 124.388 118.737 5.651 25554 6254 1 7 . 1 1 36 36 GLU C C 36 176.859 176.859 174.823 2.036 25554 6255 1 7 . 1 1 36 36 GLU CA C 36 58.092 58.092 55.526 2.566 25554 6256 1 7 . 1 1 36 36 GLU CB C 36 30.568 30.568 28.460 2.108 25554 6257 1 7 . 1 1 36 36 GLU H H 36 7.734 7.734 8.508 -0.774 25554 6258 1 7 . 1 1 37 37 LYS N N 37 118.810 118.810 122.034 -3.224 25554 6259 1 7 . 1 1 37 37 LYS C C 37 172.756 172.756 176.097 -3.341 25554 6260 1 7 . 1 1 37 37 LYS CA C 37 48.137 48.137 55.024 -6.887 25554 6261 1 7 . 1 1 37 37 LYS CB C 37 37.010 37.010 34.087 2.923 25554 6262 1 7 . 1 1 37 37 LYS H H 37 8.509 8.509 7.494 1.015 25554 6263 1 7 . 1 1 38 38 LYS N N 38 108.052 108.052 124.797 -16.745 25554 6264 1 7 . 1 1 38 38 LYS C C 38 176.273 176.273 173.967 2.306 25554 6265 1 7 . 1 1 38 38 LYS CA C 38 59.849 59.849 54.801 5.048 25554 6266 1 7 . 1 1 38 38 LYS CB C 38 34.668 34.668 35.710 -1.042 25554 6267 1 7 . 1 1 38 38 LYS H H 38 7.715 7.715 8.682 -0.967 25554 6268 1 7 . 1 1 39 39 TYR N N 39 108.650 108.650 124.545 -15.895 25554 6269 1 7 . 1 1 39 39 TYR C C 39 175.686 175.686 174.742 0.944 25554 6270 1 7 . 1 1 39 39 TYR CA C 39 61.020 61.020 57.258 3.762 25554 6271 1 7 . 1 1 39 39 TYR CB C 39 36.424 36.424 40.305 -3.881 25554 6272 1 7 . 1 1 39 39 TYR H H 39 7.362 7.362 8.589 -1.227 25554 6273 1 7 . 1 1 40 40 VAL N N 40 117.947 117.947 129.099 -11.152 25554 6274 1 7 . 1 1 40 40 VAL C C 40 175.393 175.393 174.916 0.477 25554 6275 1 7 . 1 1 40 40 VAL CA C 40 61.020 61.020 60.861 0.159 25554 6276 1 7 . 1 1 40 40 VAL CB C 40 31.154 31.154 32.508 -1.354 25554 6277 1 7 . 1 1 40 40 VAL H H 40 8.442 8.442 8.546 -0.104 25554 6278 1 7 . 1 1 42 42 THR N N 42 117.150 117.150 114.237 2.913 25554 6279 1 7 . 1 1 42 42 THR C C 42 178.910 178.910 176.005 2.905 25554 6280 1 7 . 1 1 42 42 THR CA C 42 60.435 60.435 64.478 -4.043 25554 6281 1 7 . 1 1 42 42 THR CB C 42 70.390 70.390 68.554 1.836 25554 6282 1 7 . 1 1 42 42 THR H H 42 8.192 8.192 7.999 0.193 25554 6283 1 7 . 1 1 43 43 LEU N N 43 119.209 119.209 120.178 -0.969 25554 6284 1 7 . 1 1 43 43 LEU C C 43 174.807 174.807 177.726 -2.919 25554 6285 1 7 . 1 1 43 43 LEU CA C 43 57.507 57.507 55.555 1.952 25554 6286 1 7 . 1 1 43 43 LEU CB C 43 42.866 42.866 42.081 0.785 25554 6287 1 7 . 1 1 43 43 LEU H H 43 9.260 9.260 7.884 1.376 25554 6288 1 7 . 1 1 44 44 GLY N N 44 114.361 114.361 106.825 7.536 25554 6289 1 7 . 1 1 44 44 GLY C C 44 178.910 178.910 173.479 5.431 25554 6290 1 7 . 1 1 44 44 GLY CA C 44 54.579 54.579 45.614 8.965 25554 6291 1 7 . 1 1 44 44 GLY H H 44 6.979 6.979 7.713 -0.734 25554 6292 1 7 . 1 1 45 45 VAL N N 45 110.244 110.244 118.316 -8.072 25554 6293 1 7 . 1 1 45 45 VAL C C 45 174.807 174.807 174.055 0.752 25554 6294 1 7 . 1 1 45 45 VAL CA C 45 63.363 63.363 60.354 3.009 25554 6295 1 7 . 1 1 45 45 VAL CB C 45 17.099 17.099 35.823 -18.724 25554 6296 1 7 . 1 1 45 45 VAL H H 45 8.309 8.309 7.592 0.717 25554 6297 1 7 . 1 1 46 46 GLU N N 46 130.365 130.365 125.983 4.382 25554 6298 1 7 . 1 1 46 46 GLU C C 46 176.859 176.859 175.582 1.277 25554 6299 1 7 . 1 1 46 46 GLU CA C 46 55.164 55.164 54.734 0.430 25554 6300 1 7 . 1 1 46 46 GLU CB C 46 32.325 32.325 32.442 -0.117 25554 6301 1 7 . 1 1 46 46 GLU H H 46 9.741 9.741 8.988 0.753 25554 6302 1 7 . 1 1 47 47 VAL N N 47 115.623 115.623 124.543 -8.920 25554 6303 1 7 . 1 1 47 47 VAL C C 47 178.324 178.324 174.829 3.495 25554 6304 1 7 . 1 1 47 47 VAL CA C 47 63.363 63.363 60.764 2.599 25554 6305 1 7 . 1 1 47 47 VAL CB C 47 32.911 32.911 33.074 -0.163 25554 6306 1 7 . 1 1 47 47 VAL H H 47 7.339 7.339 8.628 -1.289 25554 6307 1 7 . 1 1 48 48 HIS N N 48 129.236 129.236 126.529 2.707 25554 6308 1 7 . 1 1 48 48 HIS C C 48 169.240 169.240 173.222 -3.982 25554 6309 1 7 . 1 1 48 48 HIS CA C 48 49.894 49.894 53.190 -3.296 25554 6310 1 7 . 1 1 48 48 HIS CB C 48 27.640 27.640 31.730 -4.090 25554 6311 1 7 . 1 1 48 48 HIS H H 48 10.390 10.390 9.163 1.227 25554 6312 1 7 . 1 1 49 49 PRO C C 49 176.273 176.273 175.596 0.677 25554 6313 1 7 . 1 1 49 49 PRO CA C 49 62.500 62.500 63.076 -0.576 25554 6314 1 7 . 1 1 49 49 PRO CB C 49 29.974 29.974 32.258 -2.284 25554 6315 1 7 . 1 1 50 50 LEU N N 50 119.408 119.408 127.782 -8.374 25554 6316 1 7 . 1 1 50 50 LEU C C 50 177.445 177.445 175.023 2.422 25554 6317 1 7 . 1 1 50 50 LEU CA C 50 59.264 59.264 53.885 5.379 25554 6318 1 7 . 1 1 50 50 LEU CB C 50 42.281 42.281 43.092 -0.811 25554 6319 1 7 . 1 1 50 50 LEU H H 50 7.492 7.492 9.023 -1.531 25554 6320 1 7 . 1 1 51 51 VAL N N 51 117.947 117.947 123.766 -5.819 25554 6321 1 7 . 1 1 51 51 VAL C C 51 174.514 174.514 174.573 -0.059 25554 6322 1 7 . 1 1 51 51 VAL CA C 51 64.534 64.534 61.349 3.185 25554 6323 1 7 . 1 1 51 51 VAL CB C 51 37.010 37.010 33.020 3.990 25554 6324 1 7 . 1 1 51 51 VAL H H 51 7.715 7.715 7.996 -0.281 25554 6325 1 7 . 1 1 52 52 PHE N N 52 124.853 124.853 125.494 -0.641 25554 6326 1 7 . 1 1 52 52 PHE C C 52 175.100 175.100 173.991 1.109 25554 6327 1 7 . 1 1 52 52 PHE CA C 52 56.336 56.336 55.980 0.356 25554 6328 1 7 . 1 1 52 52 PHE CB C 52 39.938 39.938 41.972 -2.034 25554 6329 1 7 . 1 1 52 52 PHE H H 52 8.935 8.935 8.921 0.014 25554 6330 1 7 . 1 1 53 53 HIS N N 53 120.603 120.603 122.246 -1.643 25554 6331 1 7 . 1 1 53 53 HIS C C 53 170.119 170.119 174.961 -4.842 25554 6332 1 7 . 1 1 53 53 HIS CA C 53 55.164 55.164 55.363 -0.199 25554 6333 1 7 . 1 1 53 53 HIS CB C 53 30.568 30.568 30.591 -0.023 25554 6334 1 7 . 1 1 53 53 HIS H H 53 8.356 8.356 8.309 0.047 25554 6335 1 7 . 1 1 54 54 THR N N 54 112.634 112.634 117.197 -4.563 25554 6336 1 7 . 1 1 54 54 THR C C 54 178.910 178.910 176.154 2.756 25554 6337 1 7 . 1 1 54 54 THR CA C 54 63.363 63.363 59.755 3.608 25554 6338 1 7 . 1 1 54 54 THR CB C 54 72.733 72.733 71.544 1.189 25554 6339 1 7 . 1 1 54 54 THR H H 54 7.574 7.574 8.971 -1.397 25554 6340 1 7 . 1 1 55 55 ASN N N 55 131.095 131.095 121.389 9.706 25554 6341 1 7 . 1 1 55 55 ASN C C 55 176.273 176.273 177.081 -0.808 25554 6342 1 7 . 1 1 55 55 ASN CA C 55 51.065 51.065 56.319 -5.254 25554 6343 1 7 . 1 1 55 55 ASN CB C 55 37.010 37.010 38.247 -1.237 25554 6344 1 7 . 1 1 55 55 ASN H H 55 10.187 10.187 9.198 0.989 25554 6345 1 7 . 1 1 56 56 ARG N N 56 122.064 122.064 117.491 4.573 25554 6346 1 7 . 1 1 56 56 ARG C C 56 175.100 175.100 176.152 -1.052 25554 6347 1 7 . 1 1 56 56 ARG CA C 56 61.606 61.606 56.485 5.121 25554 6348 1 7 . 1 1 56 56 ARG CB C 56 32.911 32.911 30.522 2.389 25554 6349 1 7 . 1 1 56 56 ARG H H 56 7.433 7.433 8.313 -0.880 25554 6350 1 7 . 1 1 57 57 GLY N N 57 127.709 127.709 107.613 20.096 25554 6351 1 7 . 1 1 57 57 GLY C C 57 175.979 175.979 171.862 4.117 25554 6352 1 7 . 1 1 57 57 GLY CA C 57 42.281 42.281 44.538 -2.257 25554 6353 1 7 . 1 1 57 57 GLY H H 57 9.373 9.373 8.125 1.248 25554 6354 1 7 . 1 1 58 58 PRO C C 58 177.152 177.152 175.898 1.254 25554 6355 1 7 . 1 1 58 58 PRO CA C 58 65.137 65.137 62.972 2.165 25554 6356 1 7 . 1 1 58 58 PRO CB C 58 29.095 29.095 32.410 -3.315 25554 6357 1 7 . 1 1 59 59 ILE N N 59 128.638 128.638 123.946 4.692 25554 6358 1 7 . 1 1 59 59 ILE C C 59 175.979 175.979 174.566 1.413 25554 6359 1 7 . 1 1 59 59 ILE CA C 59 65.120 65.120 60.107 5.013 25554 6360 1 7 . 1 1 59 59 ILE CB C 59 40.524 40.524 41.824 -1.300 25554 6361 1 7 . 1 1 59 59 ILE H H 59 8.794 8.794 8.939 -0.145 25554 6362 1 7 . 1 1 60 60 LYS N N 60 115.756 115.756 126.420 -10.664 25554 6363 1 7 . 1 1 60 60 LYS C C 60 175.979 175.979 175.190 0.789 25554 6364 1 7 . 1 1 60 60 LYS CA C 60 56.921 56.921 54.115 2.806 25554 6365 1 7 . 1 1 60 60 LYS CB C 60 32.325 32.325 36.062 -3.737 25554 6366 1 7 . 1 1 60 60 LYS H H 60 7.253 7.253 9.005 -1.752 25554 6367 1 7 . 1 1 61 61 PHE N N 61 120.670 120.670 125.666 -4.996 25554 6368 1 7 . 1 1 61 61 PHE C C 61 175.393 175.393 175.305 0.088 25554 6369 1 7 . 1 1 61 61 PHE CA C 61 57.507 57.507 56.476 1.031 25554 6370 1 7 . 1 1 61 61 PHE CB C 61 41.109 41.109 40.961 0.148 25554 6371 1 7 . 1 1 61 61 PHE H H 61 7.515 7.515 9.508 -1.993 25554 6372 1 7 . 1 1 62 62 ASN N N 62 119.076 119.076 124.139 -5.063 25554 6373 1 7 . 1 1 62 62 ASN C C 62 175.100 175.100 174.874 0.226 25554 6374 1 7 . 1 1 62 62 ASN CA C 62 53.407 53.407 52.649 0.758 25554 6375 1 7 . 1 1 62 62 ASN CB C 62 38.767 38.767 38.740 0.027 25554 6376 1 7 . 1 1 62 62 ASN H H 62 7.558 7.558 9.334 -1.776 25554 6377 1 7 . 1 1 63 63 VAL N N 63 106.127 106.127 124.316 -18.189 25554 6378 1 7 . 1 1 63 63 VAL C C 63 175.100 175.100 175.449 -0.349 25554 6379 1 7 . 1 1 63 63 VAL CA C 63 61.020 61.020 62.966 -1.946 25554 6380 1 7 . 1 1 63 63 VAL CB C 63 31.154 31.154 32.596 -1.442 25554 6381 1 7 . 1 1 63 63 VAL H H 63 8.113 8.113 8.766 -0.653 25554 6382 1 7 . 1 1 64 64 TRP N N 64 129.302 129.302 130.399 -1.097 25554 6383 1 7 . 1 1 64 64 TRP C C 64 177.152 177.152 175.534 1.618 25554 6384 1 7 . 1 1 64 64 TRP CA C 64 59.264 59.264 55.869 3.395 25554 6385 1 7 . 1 1 64 64 TRP CB C 64 29.397 29.397 29.494 -0.097 25554 6386 1 7 . 1 1 64 64 TRP H H 64 8.970 8.970 9.675 -0.705 25554 6387 1 7 . 1 1 65 65 ASP N N 65 119.607 119.607 124.210 -4.603 25554 6388 1 7 . 1 1 65 65 ASP C C 65 174.514 174.514 175.961 -1.447 25554 6389 1 7 . 1 1 65 65 ASP CA C 65 55.164 55.164 52.807 2.357 25554 6390 1 7 . 1 1 65 65 ASP CB C 65 41.109 41.109 44.514 -3.405 25554 6391 1 7 . 1 1 65 65 ASP H H 65 8.638 8.638 9.192 -0.554 25554 6392 1 7 . 1 1 66 66 THR N N 66 122.463 122.463 114.834 7.629 25554 6393 1 7 . 1 1 66 66 THR C C 66 178.617 178.617 175.197 3.420 25554 6394 1 7 . 1 1 66 66 THR CA C 66 68.048 68.048 61.562 6.486 25554 6395 1 7 . 1 1 66 66 THR CB C 66 71.562 71.562 69.733 1.829 25554 6396 1 7 . 1 1 66 66 THR H H 66 8.293 8.293 8.437 -0.144 25554 6397 1 7 . 1 1 67 67 ALA N N 67 104.865 104.865 126.382 -21.517 25554 6398 1 7 . 1 1 67 67 ALA C C 67 177.738 177.738 177.524 0.214 25554 6399 1 7 . 1 1 67 67 ALA CA C 67 48.722 48.722 53.813 -5.091 25554 6400 1 7 . 1 1 67 67 ALA CB C 67 14.171 14.171 18.754 -4.583 25554 6401 1 7 . 1 1 67 67 ALA H H 67 8.657 8.657 8.719 -0.062 25554 6402 1 7 . 1 1 68 68 GLY N N 68 115.357 115.357 103.816 11.541 25554 6403 1 7 . 1 1 68 68 GLY C C 68 189.533 189.533 176.113 13.420 25554 6404 1 7 . 1 1 68 68 GLY CA C 68 45.209 45.209 44.796 0.413 25554 6405 1 7 . 1 1 68 68 GLY H H 68 10.969 10.969 8.346 2.623 25554 6406 1 7 . 1 1 69 69 GLN N N 69 110.111 110.111 119.876 -9.765 25554 6407 1 7 . 1 1 69 69 GLN C C 69 176.859 176.859 177.409 -0.550 25554 6408 1 7 . 1 1 69 69 GLN CA C 69 55.750 55.750 58.729 -2.979 25554 6409 1 7 . 1 1 69 69 GLN CB C 69 27.640 27.640 28.268 -0.628 25554 6410 1 7 . 1 1 69 69 GLN H H 69 8.344 8.344 8.757 -0.413 25554 6411 1 7 . 1 1 70 70 GLU N N 70 114.826 114.826 118.455 -3.629 25554 6412 1 7 . 1 1 70 70 GLU C C 70 176.273 176.273 177.867 -1.594 25554 6413 1 7 . 1 1 70 70 GLU CA C 70 57.507 57.507 58.994 -1.487 25554 6414 1 7 . 1 1 70 70 GLU CB C 70 28.811 28.811 29.454 -0.643 25554 6415 1 7 . 1 1 70 70 GLU H H 70 9.651 9.651 8.620 1.031 25554 6416 1 7 . 1 1 71 71 LYS N N 71 116.685 116.685 117.737 -1.052 25554 6417 1 7 . 1 1 71 71 LYS C C 71 175.979 175.979 178.621 -2.642 25554 6418 1 7 . 1 1 71 71 LYS CA C 71 48.722 48.722 58.631 -9.909 25554 6419 1 7 . 1 1 71 71 LYS CB C 71 37.010 37.010 32.541 4.469 25554 6420 1 7 . 1 1 71 71 LYS H H 71 8.712 8.712 7.663 1.049 25554 6421 1 7 . 1 1 72 72 PHE N N 72 114.959 114.959 118.747 -3.788 25554 6422 1 7 . 1 1 72 72 PHE C C 72 175.686 175.686 175.784 -0.098 25554 6423 1 7 . 1 1 72 72 PHE CA C 72 56.336 56.336 59.373 -3.037 25554 6424 1 7 . 1 1 72 72 PHE CB C 72 36.424 36.424 40.362 -3.938 25554 6425 1 7 . 1 1 72 72 PHE H H 72 7.965 7.965 7.751 0.214 25554 6426 1 7 . 1 1 73 73 GLY N N 73 117.084 117.084 104.779 12.305 25554 6427 1 7 . 1 1 73 73 GLY C C 73 168.068 168.068 172.324 -4.256 25554 6428 1 7 . 1 1 73 73 GLY CA C 73 42.281 42.281 44.430 -2.149 25554 6429 1 7 . 1 1 73 73 GLY H H 73 7.609 7.609 7.964 -0.355 25554 6430 1 7 . 1 1 74 74 GLY N N 74 120.537 120.537 105.857 14.680 25554 6431 1 7 . 1 1 74 74 GLY C C 74 174.514 174.514 174.649 -0.135 25554 6432 1 7 . 1 1 74 74 GLY CA C 74 44.037 44.037 44.008 0.029 25554 6433 1 7 . 1 1 74 74 GLY H H 74 9.326 9.326 8.288 1.038 25554 6434 1 7 . 1 1 75 75 LEU N N 75 127.177 127.177 121.324 5.853 25554 6435 1 7 . 1 1 75 75 LEU C C 75 178.617 178.617 177.878 0.739 25554 6436 1 7 . 1 1 75 75 LEU CA C 75 53.407 53.407 54.803 -1.396 25554 6437 1 7 . 1 1 75 75 LEU CB C 75 42.281 42.281 42.449 -0.168 25554 6438 1 7 . 1 1 75 75 LEU H H 75 7.628 7.628 8.787 -1.159 25554 6439 1 7 . 1 1 76 76 ARG N N 76 116.486 116.486 122.746 -6.260 25554 6440 1 7 . 1 1 76 76 ARG C C 76 176.859 176.859 177.150 -0.291 25554 6441 1 7 . 1 1 76 76 ARG CA C 76 59.264 59.264 56.426 2.838 25554 6442 1 7 . 1 1 76 76 ARG CB C 76 31.154 31.154 31.172 -0.018 25554 6443 1 7 . 1 1 76 76 ARG H H 76 7.143 7.143 8.420 -1.277 25554 6444 1 7 . 1 1 77 77 ASP N N 77 129.236 129.236 122.773 6.463 25554 6445 1 7 . 1 1 77 77 ASP C C 77 177.152 177.152 178.475 -1.323 25554 6446 1 7 . 1 1 77 77 ASP CA C 77 52.822 52.822 57.709 -4.887 25554 6447 1 7 . 1 1 77 77 ASP CB C 77 41.695 41.695 40.509 1.186 25554 6448 1 7 . 1 1 77 77 ASP H H 77 8.947 8.947 8.938 0.009 25554 6449 1 7 . 1 1 78 78 GLY N N 78 127.244 127.244 107.577 19.667 25554 6450 1 7 . 1 1 78 78 GLY C C 78 173.928 173.928 175.156 -1.228 25554 6451 1 7 . 1 1 78 78 GLY CA C 78 44.623 44.623 46.990 -2.367 25554 6452 1 7 . 1 1 78 78 GLY H H 78 8.219 8.219 8.469 -0.250 25554 6453 1 7 . 1 1 79 79 TYR N N 79 120.537 120.537 121.034 -0.497 25554 6454 1 7 . 1 1 79 79 TYR C C 79 176.273 176.273 176.381 -0.108 25554 6455 1 7 . 1 1 79 79 TYR CA C 79 58.678 58.678 60.898 -2.220 25554 6456 1 7 . 1 1 79 79 TYR CB C 79 40.524 40.524 38.454 2.070 25554 6457 1 7 . 1 1 79 79 TYR H H 79 8.563 8.563 7.533 1.030 25554 6458 1 7 . 1 1 80 80 TYR N N 80 115.822 115.822 115.010 0.812 25554 6459 1 7 . 1 1 80 80 TYR C C 80 175.979 175.979 176.814 -0.835 25554 6460 1 7 . 1 1 80 80 TYR CA C 80 58.092 58.092 60.766 -2.674 25554 6461 1 7 . 1 1 80 80 TYR CB C 80 38.181 38.181 38.637 -0.456 25554 6462 1 7 . 1 1 80 80 TYR H H 80 7.194 7.194 7.385 -0.191 25554 6463 1 7 . 1 1 81 81 ILE N N 81 120.072 120.072 118.299 1.773 25554 6464 1 7 . 1 1 81 81 ILE C C 81 177.445 177.445 175.958 1.487 25554 6465 1 7 . 1 1 81 81 ILE CA C 81 67.462 67.462 62.957 4.505 25554 6466 1 7 . 1 1 81 81 ILE CB C 81 41.109 41.109 38.025 3.084 25554 6467 1 7 . 1 1 81 81 ILE H H 81 8.837 8.837 7.866 0.971 25554 6468 1 7 . 1 1 82 82 GLN N N 82 109.580 109.580 118.311 -8.731 25554 6469 1 7 . 1 1 82 82 GLN C C 82 177.152 177.152 174.631 2.521 25554 6470 1 7 . 1 1 82 82 GLN CA C 82 56.336 56.336 56.392 -0.056 25554 6471 1 7 . 1 1 82 82 GLN CB C 82 24.126 24.126 26.199 -2.073 25554 6472 1 7 . 1 1 82 82 GLN H H 82 8.493 8.493 8.705 -0.212 25554 6473 1 7 . 1 1 83 83 ALA N N 83 109.713 109.713 121.852 -12.139 25554 6474 1 7 . 1 1 83 83 ALA C C 83 175.979 175.979 176.805 -0.826 25554 6475 1 7 . 1 1 83 83 ALA CA C 83 54.579 54.579 51.892 2.687 25554 6476 1 7 . 1 1 83 83 ALA CB C 83 16.513 16.513 18.801 -2.288 25554 6477 1 7 . 1 1 83 83 ALA H H 83 6.306 6.306 7.425 -1.119 25554 6478 1 7 . 1 1 84 84 GLN N N 84 131.380 131.380 122.541 8.839 25554 6479 1 7 . 1 1 84 84 GLN C C 84 175.686 175.686 175.913 -0.227 25554 6480 1 7 . 1 1 84 84 GLN CA C 84 51.065 51.065 58.174 -7.109 25554 6481 1 7 . 1 1 84 84 GLN CB C 84 32.325 32.325 29.647 2.678 25554 6482 1 7 . 1 1 84 84 GLN H H 84 11.169 11.169 8.835 2.334 25554 6483 1 7 . 1 1 85 85 CYS N N 85 124.322 124.322 111.006 13.316 25554 6484 1 7 . 1 1 85 85 CYS C C 85 173.049 173.049 172.645 0.404 25554 6485 1 7 . 1 1 85 85 CYS CA C 85 57.507 57.507 55.950 1.558 25554 6486 1 7 . 1 1 85 85 CYS CB C 85 35.253 35.253 31.750 3.503 25554 6487 1 7 . 1 1 85 85 CYS H H 85 8.602 8.602 8.194 0.408 25554 6488 1 7 . 1 1 86 86 ALA N N 86 114.295 114.295 122.679 -8.384 25554 6489 1 7 . 1 1 86 86 ALA CA C 86 57.507 57.507 50.525 6.982 25554 6490 1 7 . 1 1 86 86 ALA CB C 86 21.784 21.784 22.741 -0.957 25554 6491 1 7 . 1 1 86 86 ALA H H 86 6.897 6.897 9.291 -2.394 25554 6492 1 7 . 1 1 87 87 ILE N N 87 120.670 120.670 121.277 -0.607 25554 6493 1 7 . 1 1 87 87 ILE C C 87 173.928 173.928 174.838 -0.910 25554 6494 1 7 . 1 1 87 87 ILE CA C 87 61.020 61.020 59.624 1.396 25554 6495 1 7 . 1 1 87 87 ILE CB C 87 39.938 39.938 41.372 -1.434 25554 6496 1 7 . 1 1 87 87 ILE H H 87 8.282 8.282 8.852 -0.570 25554 6497 1 7 . 1 1 88 88 ILE N N 88 120.205 120.205 127.446 -7.241 25554 6498 1 7 . 1 1 88 88 ILE C C 88 173.635 173.635 175.003 -1.368 25554 6499 1 7 . 1 1 88 88 ILE CA C 88 64.534 64.534 59.905 4.629 25554 6500 1 7 . 1 1 88 88 ILE CB C 88 37.596 37.596 40.232 -2.636 25554 6501 1 7 . 1 1 88 88 ILE H H 88 5.528 5.528 8.934 -3.406 25554 6502 1 7 . 1 1 89 89 MET N N 89 119.209 119.209 126.673 -7.464 25554 6503 1 7 . 1 1 89 89 MET C C 89 176.566 176.566 175.019 1.547 25554 6504 1 7 . 1 1 89 89 MET CA C 89 56.921 56.921 54.073 2.848 25554 6505 1 7 . 1 1 89 89 MET CB C 89 34.668 34.668 34.599 0.069 25554 6506 1 7 . 1 1 89 89 MET H H 89 8.164 8.164 8.832 -0.668 25554 6507 1 7 . 1 1 90 90 PHE N N 90 121.134 121.134 118.347 2.787 25554 6508 1 7 . 1 1 90 90 PHE C C 90 175.393 175.393 172.915 2.478 25554 6509 1 7 . 1 1 90 90 PHE CA C 90 60.435 60.435 55.157 5.278 25554 6510 1 7 . 1 1 90 90 PHE CB C 90 38.767 38.767 41.856 -3.089 25554 6511 1 7 . 1 1 90 90 PHE H H 90 9.334 9.334 8.641 0.693 25554 6512 1 7 . 1 1 91 91 ASP N N 91 125.185 125.185 121.374 3.811 25554 6513 1 7 . 1 1 91 91 ASP C C 91 176.566 176.566 178.277 -1.711 25554 6514 1 7 . 1 1 91 91 ASP CA C 91 52.822 52.822 52.036 0.786 25554 6515 1 7 . 1 1 91 91 ASP CB C 91 39.938 39.938 42.087 -2.149 25554 6516 1 7 . 1 1 91 91 ASP H H 91 9.056 9.056 8.193 0.863 25554 6517 1 7 . 1 1 92 92 VAL N N 92 115.158 115.158 123.187 -8.029 25554 6518 1 7 . 1 1 92 92 VAL C C 92 173.342 173.342 177.605 -4.263 25554 6519 1 7 . 1 1 92 92 VAL CA C 92 64.534 64.534 65.718 -1.184 25554 6520 1 7 . 1 1 92 92 VAL CB C 92 37.596 37.596 31.578 6.018 25554 6521 1 7 . 1 1 92 92 VAL H H 92 7.738 7.738 8.636 -0.898 25554 6522 1 7 . 1 1 93 93 THR N N 93 112.302 112.302 115.455 -3.153 25554 6523 1 7 . 1 1 93 93 THR C C 93 177.152 177.152 174.853 2.299 25554 6524 1 7 . 1 1 93 93 THR CA C 93 64.534 64.534 65.891 -1.357 25554 6525 1 7 . 1 1 93 93 THR CB C 93 72.147 72.147 69.028 3.119 25554 6526 1 7 . 1 1 93 93 THR H H 93 7.269 7.269 8.794 -1.525 25554 6527 1 7 . 1 1 94 94 SER N N 94 122.263 122.263 114.848 7.415 25554 6528 1 7 . 1 1 94 94 SER C C 94 163.965 163.965 175.121 -11.156 25554 6529 1 7 . 1 1 94 94 SER CA C 94 59.849 59.849 55.911 3.938 25554 6530 1 7 . 1 1 94 94 SER CB C 94 62.192 62.192 63.892 -1.700 25554 6531 1 7 . 1 1 94 94 SER H H 94 7.628 7.628 7.548 0.080 25554 6532 1 7 . 1 1 95 95 ARG N N 95 113.099 113.099 128.241 -15.142 25554 6533 1 7 . 1 1 95 95 ARG C C 95 176.273 176.273 178.025 -1.752 25554 6534 1 7 . 1 1 95 95 ARG CA C 95 53.407 53.407 59.138 -5.731 25554 6535 1 7 . 1 1 95 95 ARG CB C 95 31.154 31.154 30.170 0.984 25554 6536 1 7 . 1 1 95 95 ARG H H 95 8.102 8.102 9.123 -1.021 25554 6537 1 7 . 1 1 96 96 VAL N N 96 124.787 124.787 119.142 5.645 25554 6538 1 7 . 1 1 96 96 VAL C C 96 178.031 178.031 177.291 0.740 25554 6539 1 7 . 1 1 96 96 VAL CA C 96 68.634 68.634 66.225 2.409 25554 6540 1 7 . 1 1 96 96 VAL CB C 96 24.126 24.126 31.526 -7.400 25554 6541 1 7 . 1 1 96 96 VAL H H 96 9.146 9.146 7.885 1.261 25554 6542 1 7 . 1 1 97 97 THR N N 97 111.970 111.970 113.753 -1.783 25554 6543 1 7 . 1 1 97 97 THR C C 97 178.031 178.031 176.314 1.717 25554 6544 1 7 . 1 1 97 97 THR CA C 97 63.949 63.949 65.580 -1.631 25554 6545 1 7 . 1 1 97 97 THR CB C 97 70.390 70.390 68.959 1.431 25554 6546 1 7 . 1 1 97 97 THR H H 97 7.984 7.984 7.654 0.330 25554 6547 1 7 . 1 1 98 98 TYR N N 98 113.232 113.232 122.797 -9.565 25554 6548 1 7 . 1 1 98 98 TYR C C 98 176.273 176.273 177.267 -0.994 25554 6549 1 7 . 1 1 98 98 TYR H H 98 7.605 7.605 7.678 -0.073 25554 6550 1 7 . 1 1 99 99 LYS N N 99 121.998 121.998 119.031 2.967 25554 6551 1 7 . 1 1 99 99 LYS C C 99 174.221 174.221 178.814 -4.593 25554 6552 1 7 . 1 1 99 99 LYS CA C 99 59.264 59.264 59.329 -0.065 25554 6553 1 7 . 1 1 99 99 LYS CB C 99 34.668 34.668 32.565 2.103 25554 6554 1 7 . 1 1 99 99 LYS H H 99 8.129 8.129 8.063 0.066 25554 6555 1 7 . 1 1 100 100 ASN N N 100 111.970 111.970 117.551 -5.581 25554 6556 1 7 . 1 1 100 100 ASN C C 100 175.979 175.979 177.690 -1.711 25554 6557 1 7 . 1 1 100 100 ASN CA C 100 53.407 53.407 55.414 -2.007 25554 6558 1 7 . 1 1 100 100 ASN CB C 100 37.596 37.596 38.500 -0.904 25554 6559 1 7 . 1 1 100 100 ASN H H 100 5.778 5.778 7.963 -2.185 25554 6560 1 7 . 1 1 101 101 VAL N N 101 118.877 118.877 120.606 -1.729 25554 6561 1 7 . 1 1 101 101 VAL C C 101 173.635 173.635 174.719 -1.084 25554 6562 1 7 . 1 1 101 101 VAL CA C 101 62.777 62.777 68.504 -5.726 25554 6563 1 7 . 1 1 101 101 VAL CB C 101 27.054 27.054 29.355 -2.301 25554 6564 1 7 . 1 1 101 101 VAL H H 101 7.370 7.370 7.771 -0.401 25554 6565 1 7 . 1 1 102 102 PRO C C 102 176.566 176.566 178.795 -2.229 25554 6566 1 7 . 1 1 102 102 PRO CA C 102 62.500 62.500 66.588 -4.088 25554 6567 1 7 . 1 1 102 102 PRO CB C 102 30.853 30.853 31.288 -0.435 25554 6568 1 7 . 1 1 103 103 ASN N N 103 122.728 122.728 117.354 5.374 25554 6569 1 7 . 1 1 103 103 ASN C C 103 175.100 175.100 177.496 -2.396 25554 6570 1 7 . 1 1 103 103 ASN CA C 103 54.579 54.579 55.681 -1.102 25554 6571 1 7 . 1 1 103 103 ASN CB C 103 38.767 38.767 37.636 1.131 25554 6572 1 7 . 1 1 103 103 ASN H H 103 7.879 7.879 8.117 -0.238 25554 6573 1 7 . 1 1 104 104 TRP N N 104 132.158 132.158 121.221 10.937 25554 6574 1 7 . 1 1 104 104 TRP C C 104 176.273 176.273 178.922 -2.649 25554 6575 1 7 . 1 1 104 104 TRP CA C 104 60.435 60.435 61.445 -1.010 25554 6576 1 7 . 1 1 104 104 TRP CB C 104 29.983 29.983 29.278 0.705 25554 6577 1 7 . 1 1 104 104 TRP H H 104 9.541 9.541 8.005 1.536 25554 6578 1 7 . 1 1 105 105 HIS N N 105 120.869 120.869 118.901 1.968 25554 6579 1 7 . 1 1 105 105 HIS C C 105 177.738 177.738 177.418 0.320 25554 6580 1 7 . 1 1 105 105 HIS H H 105 6.971 6.971 8.745 -1.774 25554 6581 1 7 . 1 1 106 106 ARG N N 106 126.314 126.314 119.152 7.162 25554 6582 1 7 . 1 1 106 106 ARG C C 106 176.566 176.566 178.489 -1.923 25554 6583 1 7 . 1 1 106 106 ARG CA C 106 62.777 62.777 59.835 2.942 25554 6584 1 7 . 1 1 106 106 ARG CB C 106 29.397 29.397 30.066 -0.669 25554 6585 1 7 . 1 1 106 106 ARG H H 106 7.507 7.507 8.391 -0.884 25554 6586 1 7 . 1 1 107 107 ASP N N 107 119.076 119.076 120.150 -1.074 25554 6587 1 7 . 1 1 107 107 ASP C C 107 176.566 176.566 178.612 -2.046 25554 6588 1 7 . 1 1 107 107 ASP CA C 107 55.164 55.164 57.214 -2.050 25554 6589 1 7 . 1 1 107 107 ASP CB C 107 41.695 41.695 40.385 1.310 25554 6590 1 7 . 1 1 107 107 ASP H H 107 9.076 9.076 8.072 1.004 25554 6591 1 7 . 1 1 108 108 LEU N N 108 113.299 113.299 121.485 -8.186 25554 6592 1 7 . 1 1 108 108 LEU C C 108 176.273 176.273 177.815 -1.542 25554 6593 1 7 . 1 1 108 108 LEU CA C 108 59.264 59.264 57.483 1.781 25554 6594 1 7 . 1 1 108 108 LEU CB C 108 48.722 48.722 41.793 6.929 25554 6595 1 7 . 1 1 108 108 LEU H H 108 6.725 6.725 8.159 -1.434 25554 6596 1 7 . 1 1 109 109 VAL N N 109 121.267 121.267 119.033 2.234 25554 6597 1 7 . 1 1 109 109 VAL C C 109 175.393 175.393 178.049 -2.656 25554 6598 1 7 . 1 1 109 109 VAL CA C 109 63.949 63.949 65.877 -1.928 25554 6599 1 7 . 1 1 109 109 VAL CB C 109 32.911 32.911 31.445 1.466 25554 6600 1 7 . 1 1 109 109 VAL H H 109 8.763 8.763 8.171 0.591 25554 6601 1 7 . 1 1 110 110 ARG N N 110 112.900 112.900 119.314 -6.414 25554 6602 1 7 . 1 1 110 110 ARG C C 110 176.273 176.273 178.002 -1.729 25554 6603 1 7 . 1 1 110 110 ARG CA C 110 57.507 57.507 58.861 -1.354 25554 6604 1 7 . 1 1 110 110 ARG CB C 110 30.568 30.568 30.310 0.258 25554 6605 1 7 . 1 1 110 110 ARG H H 110 7.241 7.241 7.518 -0.277 25554 6606 1 7 . 1 1 111 111 VAL N N 111 115.556 115.556 116.894 -1.338 25554 6607 1 7 . 1 1 111 111 VAL C C 111 177.445 177.445 175.999 1.446 25554 6608 1 7 . 1 1 111 111 VAL CA C 111 59.849 59.849 65.322 -5.473 25554 6609 1 7 . 1 1 111 111 VAL CB C 111 32.911 32.911 32.709 0.202 25554 6610 1 7 . 1 1 111 111 VAL H H 111 7.566 7.566 7.350 0.216 25554 6611 1 7 . 1 1 112 112 CYS N N 112 114.295 114.295 117.887 -3.592 25554 6612 1 7 . 1 1 112 112 CYS C C 112 169.826 169.826 172.810 -2.984 25554 6613 1 7 . 1 1 112 112 CYS CA C 112 57.507 57.507 57.948 -0.441 25554 6614 1 7 . 1 1 112 112 CYS CB C 112 35.839 35.839 30.931 4.908 25554 6615 1 7 . 1 1 112 112 CYS H H 112 7.425 7.425 8.091 -0.666 25554 6616 1 7 . 1 1 113 113 GLU N N 113 116.486 116.486 125.219 -8.733 25554 6617 1 7 . 1 1 113 113 GLU C C 113 176.566 176.566 175.735 0.831 25554 6618 1 7 . 1 1 113 113 GLU CA C 113 69.219 69.219 56.089 13.130 25554 6619 1 7 . 1 1 113 113 GLU CB C 113 30.568 30.568 31.080 -0.512 25554 6620 1 7 . 1 1 113 113 GLU H H 113 7.241 7.241 8.711 -1.470 25554 6621 1 7 . 1 1 114 114 ASN N N 114 129.302 129.302 118.756 10.546 25554 6622 1 7 . 1 1 114 114 ASN C C 114 175.100 175.100 174.736 0.364 25554 6623 1 7 . 1 1 114 114 ASN CA C 114 52.236 52.236 54.339 -2.103 25554 6624 1 7 . 1 1 114 114 ASN CB C 114 39.938 39.938 37.169 2.769 25554 6625 1 7 . 1 1 114 114 ASN H H 114 8.919 8.919 8.772 0.147 25554 6626 1 7 . 1 1 115 115 ILE N N 115 110.443 110.443 114.620 -4.177 25554 6627 1 7 . 1 1 115 115 ILE C C 115 175.100 175.100 174.730 0.370 25554 6628 1 7 . 1 1 115 115 ILE CA C 115 65.705 65.705 59.038 6.667 25554 6629 1 7 . 1 1 115 115 ILE CB C 115 39.353 39.353 38.170 1.183 25554 6630 1 7 . 1 1 115 115 ILE H H 115 9.287 9.287 7.478 1.809 25554 6631 1 7 . 1 1 116 116 PRO C C 116 175.979 175.979 175.590 0.389 25554 6632 1 7 . 1 1 116 116 PRO CA C 116 63.086 63.086 62.889 0.197 25554 6633 1 7 . 1 1 116 116 PRO CB C 116 29.681 29.681 32.475 -2.794 25554 6634 1 7 . 1 1 117 117 ILE N N 117 123.591 123.591 124.669 -1.078 25554 6635 1 7 . 1 1 117 117 ILE C C 117 174.807 174.807 175.109 -0.302 25554 6636 1 7 . 1 1 117 117 ILE CA C 117 66.291 66.291 59.993 6.298 25554 6637 1 7 . 1 1 117 117 ILE CB C 117 38.767 38.767 42.194 -3.426 25554 6638 1 7 . 1 1 117 117 ILE H H 117 7.781 7.781 8.847 -1.066 25554 6639 1 7 . 1 1 118 118 VAL N N 118 119.009 119.009 125.206 -6.197 25554 6640 1 7 . 1 1 118 118 VAL C C 118 178.324 178.324 174.152 4.172 25554 6641 1 7 . 1 1 118 118 VAL CA C 118 62.777 62.777 60.515 2.262 25554 6642 1 7 . 1 1 118 118 VAL CB C 118 31.154 31.154 35.080 -3.926 25554 6643 1 7 . 1 1 118 118 VAL H H 118 8.767 8.767 8.915 -0.148 25554 6644 1 7 . 1 1 119 119 LEU N N 119 119.408 119.408 129.010 -9.602 25554 6645 1 7 . 1 1 119 119 LEU C C 119 178.031 178.031 174.663 3.368 25554 6646 1 7 . 1 1 119 119 LEU CA C 119 42.866 42.866 53.277 -10.411 25554 6647 1 7 . 1 1 119 119 LEU CB C 119 38.767 38.767 44.858 -6.091 25554 6648 1 7 . 1 1 119 119 LEU H H 119 7.734 7.734 8.968 -1.234 25554 6649 1 7 . 1 1 120 120 CYS N N 120 113.232 113.232 125.624 -12.392 25554 6650 1 7 . 1 1 120 120 CYS C C 120 178.031 178.031 173.527 4.504 25554 6651 1 7 . 1 1 120 120 CYS H H 120 8.317 8.317 9.105 -0.788 25554 6652 1 7 . 1 1 121 121 GLY N N 121 117.349 117.349 112.189 5.160 25554 6653 1 7 . 1 1 121 121 GLY C C 121 176.851 176.851 172.494 4.357 25554 6654 1 7 . 1 1 121 121 GLY CA C 121 41.109 41.109 43.413 -2.304 25554 6655 1 7 . 1 1 121 121 GLY H H 121 7.515 7.515 8.648 -1.133 25554 6656 1 7 . 1 1 122 122 ASN N N 122 125.318 125.318 124.731 0.587 25554 6657 1 7 . 1 1 122 122 ASN C C 122 175.686 175.686 175.362 0.324 25554 6658 1 7 . 1 1 122 122 ASN CA C 122 50.479 50.479 51.438 -0.959 25554 6659 1 7 . 1 1 122 122 ASN CB C 122 39.353 39.353 42.268 -2.915 25554 6660 1 7 . 1 1 122 122 ASN H H 122 9.162 9.162 8.540 0.622 25554 6661 1 7 . 1 1 123 123 LYS N N 123 124.920 124.920 116.453 8.467 25554 6662 1 7 . 1 1 123 123 LYS C C 123 176.566 176.566 177.756 -1.190 25554 6663 1 7 . 1 1 123 123 LYS CA C 123 70.976 70.976 57.290 13.686 25554 6664 1 7 . 1 1 123 123 LYS CB C 123 35.253 35.253 30.124 5.129 25554 6665 1 7 . 1 1 123 123 LYS H H 123 8.086 8.086 8.863 -0.777 25554 6666 1 7 . 1 1 124 124 VAL N N 124 125.517 125.517 112.592 12.925 25554 6667 1 7 . 1 1 124 124 VAL C C 124 177.738 177.738 176.226 1.512 25554 6668 1 7 . 1 1 124 124 VAL CA C 124 62.777 62.777 65.016 -2.239 25554 6669 1 7 . 1 1 124 124 VAL CB C 124 33.496 33.496 31.933 1.563 25554 6670 1 7 . 1 1 124 124 VAL H H 124 9.483 9.483 7.366 2.117 25554 6671 1 7 . 1 1 125 125 ASP N N 125 119.607 119.607 118.784 0.823 25554 6672 1 7 . 1 1 125 125 ASP C C 125 176.566 176.566 176.856 -0.290 25554 6673 1 7 . 1 1 125 125 ASP CA C 125 55.750 55.750 56.207 -0.457 25554 6674 1 7 . 1 1 125 125 ASP CB C 125 40.524 40.524 40.602 -0.078 25554 6675 1 7 . 1 1 125 125 ASP H H 125 7.875 7.875 8.229 -0.354 25554 6676 1 7 . 1 1 126 126 ILE N N 126 116.088 116.088 120.625 -4.537 25554 6677 1 7 . 1 1 126 126 ILE C C 126 177.152 177.152 176.238 0.914 25554 6678 1 7 . 1 1 126 126 ILE CA C 126 66.291 66.291 61.757 4.534 25554 6679 1 7 . 1 1 126 126 ILE CB C 126 39.353 39.353 38.669 0.684 25554 6680 1 7 . 1 1 126 126 ILE H H 126 7.511 7.511 7.396 0.115 25554 6681 1 7 . 1 1 127 127 LYS N N 127 117.681 117.681 123.683 -6.002 25554 6682 1 7 . 1 1 127 127 LYS C C 127 177.152 177.152 177.922 -0.770 25554 6683 1 7 . 1 1 127 127 LYS CA C 127 57.507 57.507 58.142 -0.635 25554 6684 1 7 . 1 1 127 127 LYS CB C 127 31.154 31.154 32.695 -1.541 25554 6685 1 7 . 1 1 127 127 LYS H H 127 8.059 8.059 8.327 -0.268 25554 6686 1 7 . 1 1 128 128 ASP N N 128 118.279 118.279 120.188 -1.909 25554 6687 1 7 . 1 1 128 128 ASP C C 128 176.566 176.566 174.946 1.620 25554 6688 1 7 . 1 1 128 128 ASP CA C 128 53.407 53.407 52.948 0.459 25554 6689 1 7 . 1 1 128 128 ASP CB C 128 40.524 40.524 39.212 1.312 25554 6690 1 7 . 1 1 128 128 ASP H H 128 7.241 7.241 8.272 -1.031 25554 6691 1 7 . 1 1 129 129 ARG N N 129 118.943 118.943 122.850 -3.907 25554 6692 1 7 . 1 1 129 129 ARG C C 129 177.738 177.738 176.524 1.214 25554 6693 1 7 . 1 1 129 129 ARG CA C 129 45.794 45.794 56.615 -10.821 25554 6694 1 7 . 1 1 129 129 ARG CB C 129 31.154 31.154 30.021 1.133 25554 6695 1 7 . 1 1 129 129 ARG H H 129 8.423 8.423 7.815 0.608 25554 6696 1 7 . 1 1 130 130 LYS N N 130 109.381 109.381 124.684 -15.303 25554 6697 1 7 . 1 1 130 130 LYS C C 130 176.566 176.566 177.079 -0.513 25554 6698 1 7 . 1 1 130 130 LYS CA C 130 55.164 55.164 57.866 -2.702 25554 6699 1 7 . 1 1 130 130 LYS CB C 130 36.424 36.424 32.753 3.671 25554 6700 1 7 . 1 1 130 130 LYS H H 130 7.296 7.296 8.414 -1.118 25554 6701 1 7 . 1 1 131 131 VAL N N 131 110.377 110.377 120.991 -10.614 25554 6702 1 7 . 1 1 131 131 VAL C C 131 178.617 178.617 174.562 4.055 25554 6703 1 7 . 1 1 131 131 VAL CA C 131 65.705 65.705 62.200 3.505 25554 6704 1 7 . 1 1 131 131 VAL CB C 131 35.839 35.839 31.987 3.852 25554 6705 1 7 . 1 1 131 131 VAL H H 131 9.283 9.283 8.234 1.049 25554 6706 1 7 . 1 1 132 132 LYS N N 132 110.310 110.310 126.280 -15.970 25554 6707 1 7 . 1 1 132 132 LYS C C 132 176.273 176.273 177.449 -1.176 25554 6708 1 7 . 1 1 132 132 LYS CA C 132 59.849 59.849 54.442 5.407 25554 6709 1 7 . 1 1 132 132 LYS CB C 132 35.253 35.253 34.842 0.411 25554 6710 1 7 . 1 1 132 132 LYS H H 132 9.709 9.709 7.670 2.039 25554 6711 1 7 . 1 1 133 133 ALA N N 133 134.349 134.349 123.515 10.834 25554 6712 1 7 . 1 1 133 133 ALA CA C 133 51.065 51.065 55.072 -4.008 25554 6713 1 7 . 1 1 133 133 ALA CB C 133 12.999 12.999 18.550 -5.551 25554 6714 1 7 . 1 1 133 133 ALA H H 133 6.322 6.322 8.851 -2.529 25554 6715 1 7 . 1 1 134 134 LYS N N 134 117.615 117.615 115.598 2.017 25554 6716 1 7 . 1 1 134 134 LYS C C 134 176.859 176.859 177.213 -0.354 25554 6717 1 7 . 1 1 134 134 LYS CA C 134 55.750 55.750 59.017 -3.267 25554 6718 1 7 . 1 1 134 134 LYS CB C 134 54.579 54.579 32.040 22.539 25554 6719 1 7 . 1 1 134 134 LYS H H 134 6.549 6.549 8.449 -1.900 25554 6720 1 7 . 1 1 135 135 SER N N 135 109.314 109.314 111.685 -2.371 25554 6721 1 7 . 1 1 135 135 SER C C 135 173.635 173.635 174.668 -1.033 25554 6722 1 7 . 1 1 135 135 SER CA C 135 56.336 56.336 58.093 -1.757 25554 6723 1 7 . 1 1 135 135 SER CB C 135 63.949 63.949 63.345 0.604 25554 6724 1 7 . 1 1 135 135 SER H H 135 7.840 7.840 7.548 0.292 25554 6725 1 7 . 1 1 136 136 ILE N N 136 124.123 124.123 124.855 -0.732 25554 6726 1 7 . 1 1 136 136 ILE C C 136 175.100 175.100 176.119 -1.019 25554 6727 1 7 . 1 1 136 136 ILE CA C 136 68.634 68.634 61.452 7.182 25554 6728 1 7 . 1 1 136 136 ILE CB C 136 43.452 43.452 35.437 8.015 25554 6729 1 7 . 1 1 136 136 ILE H H 136 8.098 8.098 7.221 0.877 25554 6730 1 7 . 1 1 137 137 VAL N N 137 113.232 113.232 122.061 -8.829 25554 6731 1 7 . 1 1 137 137 VAL C C 137 176.859 176.859 176.530 0.329 25554 6732 1 7 . 1 1 137 137 VAL CA C 137 64.534 64.534 63.208 1.326 25554 6733 1 7 . 1 1 137 137 VAL CB C 137 34.082 34.082 31.571 2.511 25554 6734 1 7 . 1 1 137 137 VAL H H 137 7.711 7.711 7.882 -0.171 25554 6735 1 7 . 1 1 138 138 PHE N N 138 118.279 118.279 122.305 -4.026 25554 6736 1 7 . 1 1 138 138 PHE C C 138 175.393 175.393 176.351 -0.958 25554 6737 1 7 . 1 1 138 138 PHE CA C 138 58.092 58.092 61.763 -3.671 25554 6738 1 7 . 1 1 138 138 PHE CB C 138 39.353 39.353 39.339 0.014 25554 6739 1 7 . 1 1 138 138 PHE H H 138 8.317 8.317 7.882 0.435 25554 6740 1 7 . 1 1 139 139 HIS N N 139 107.654 107.654 115.842 -8.188 25554 6741 1 7 . 1 1 139 139 HIS C C 139 175.979 175.979 177.159 -1.180 25554 6742 1 7 . 1 1 139 139 HIS CA C 139 53.993 53.993 59.120 -5.127 25554 6743 1 7 . 1 1 139 139 HIS CB C 139 28.811 28.811 29.110 -0.298 25554 6744 1 7 . 1 1 139 139 HIS H H 139 8.016 8.016 8.709 -0.693 25554 6745 1 7 . 1 1 140 140 ARG N N 140 117.084 117.084 119.092 -2.008 25554 6746 1 7 . 1 1 140 140 ARG C C 140 176.859 176.859 178.099 -1.240 25554 6747 1 7 . 1 1 140 140 ARG CA C 140 57.507 57.507 58.849 -1.343 25554 6748 1 7 . 1 1 140 140 ARG CB C 140 31.739 31.739 29.733 2.006 25554 6749 1 7 . 1 1 140 140 ARG H H 140 8.763 8.763 6.640 2.123 25554 6750 1 7 . 1 1 141 141 LYS N N 141 115.623 115.623 117.530 -1.907 25554 6751 1 7 . 1 1 141 141 LYS C C 141 173.635 173.635 178.327 -4.692 25554 6752 1 7 . 1 1 141 141 LYS CA C 141 58.092 58.092 58.395 -0.303 25554 6753 1 7 . 1 1 141 141 LYS CB C 141 33.496 33.496 32.326 1.170 25554 6754 1 7 . 1 1 141 141 LYS H H 141 7.449 7.449 7.417 0.032 25554 6755 1 7 . 1 1 142 142 LYS N N 142 114.162 114.162 114.883 -0.721 25554 6756 1 7 . 1 1 142 142 LYS C C 142 175.979 175.979 176.547 -0.568 25554 6757 1 7 . 1 1 142 142 LYS CA C 142 51.065 51.065 55.233 -4.168 25554 6758 1 7 . 1 1 142 142 LYS CB C 142 34.668 34.668 32.395 2.273 25554 6759 1 7 . 1 1 142 142 LYS H H 142 8.982 8.982 7.188 1.794 25554 6760 1 7 . 1 1 143 143 ASN N N 143 112.103 112.103 115.122 -3.019 25554 6761 1 7 . 1 1 143 143 ASN C C 143 175.100 175.100 174.842 0.258 25554 6762 1 7 . 1 1 143 143 ASN CA C 143 53.407 53.407 53.722 -0.315 25554 6763 1 7 . 1 1 143 143 ASN CB C 143 39.938 39.938 36.710 3.228 25554 6764 1 7 . 1 1 143 143 ASN H H 143 7.402 7.402 8.267 -0.865 25554 6765 1 7 . 1 1 144 144 LEU N N 144 118.810 118.810 118.616 0.194 25554 6766 1 7 . 1 1 144 144 LEU CA C 144 53.993 53.993 55.357 -1.364 25554 6767 1 7 . 1 1 144 144 LEU CB C 144 42.866 42.866 42.824 0.042 25554 6768 1 7 . 1 1 144 144 LEU H H 144 7.793 7.793 7.403 0.390 25554 6769 1 7 . 1 1 145 145 GLN N N 145 119.607 119.607 120.813 -1.206 25554 6770 1 7 . 1 1 145 145 GLN C C 145 176.859 176.859 173.958 2.901 25554 6771 1 7 . 1 1 145 145 GLN CA C 145 55.164 55.164 53.857 1.307 25554 6772 1 7 . 1 1 145 145 GLN CB C 145 29.983 29.983 30.102 -0.119 25554 6773 1 7 . 1 1 145 145 GLN H H 145 7.014 7.014 7.849 -0.835 25554 6774 1 7 . 1 1 146 146 TYR N N 146 119.275 119.275 127.287 -8.012 25554 6775 1 7 . 1 1 146 146 TYR C C 146 174.807 174.807 174.354 0.453 25554 6776 1 7 . 1 1 146 146 TYR CA C 146 62.777 62.777 56.074 6.703 25554 6777 1 7 . 1 1 146 146 TYR CB C 146 41.109 41.109 40.654 0.455 25554 6778 1 7 . 1 1 146 146 TYR H H 146 9.350 9.350 8.183 1.167 25554 6779 1 7 . 1 1 147 147 TYR N N 147 123.658 123.658 125.843 -2.185 25554 6780 1 7 . 1 1 147 147 TYR C C 147 177.738 177.738 174.077 3.661 25554 6781 1 7 . 1 1 147 147 TYR CA C 147 58.092 58.092 56.139 1.953 25554 6782 1 7 . 1 1 147 147 TYR CB C 147 39.938 39.938 41.837 -1.899 25554 6783 1 7 . 1 1 147 147 TYR H H 147 8.340 8.340 8.304 0.036 25554 6784 1 7 . 1 1 148 148 ASP N N 148 121.267 121.267 123.162 -1.895 25554 6785 1 7 . 1 1 148 148 ASP C C 148 176.859 176.859 175.201 1.658 25554 6786 1 7 . 1 1 148 148 ASP CA C 148 54.579 54.579 54.886 -0.307 25554 6787 1 7 . 1 1 148 148 ASP CB C 148 41.109 41.109 41.739 -0.630 25554 6788 1 7 . 1 1 148 148 ASP H H 148 8.911 8.911 8.536 0.375 25554 6789 1 7 . 1 1 149 149 ILE N N 149 119.607 119.607 124.494 -4.887 25554 6790 1 7 . 1 1 149 149 ILE C C 149 174.807 174.807 174.526 0.281 25554 6791 1 7 . 1 1 149 149 ILE CA C 149 61.020 61.020 60.108 0.912 25554 6792 1 7 . 1 1 149 149 ILE CB C 149 39.353 39.353 42.591 -3.238 25554 6793 1 7 . 1 1 149 149 ILE H H 149 8.712 8.712 8.842 -0.130 25554 6794 1 7 . 1 1 150 150 SER N N 150 117.349 117.349 121.686 -4.337 25554 6795 1 7 . 1 1 150 150 SER C C 150 175.686 175.686 174.371 1.315 25554 6796 1 7 . 1 1 150 150 SER CA C 150 60.435 60.435 55.395 5.040 25554 6797 1 7 . 1 1 150 150 SER CB C 150 62.192 62.192 64.903 -2.711 25554 6798 1 7 . 1 1 150 150 SER H H 150 8.454 8.454 8.887 -0.433 25554 6799 1 7 . 1 1 151 151 ALA N N 151 131.162 131.162 131.934 -0.772 25554 6800 1 7 . 1 1 151 151 ALA C C 151 160.742 160.742 179.441 -18.699 25554 6801 1 7 . 1 1 151 151 ALA CA C 151 53.993 53.993 55.376 -1.383 25554 6802 1 7 . 1 1 151 151 ALA CB C 151 22.369 22.369 18.752 3.617 25554 6803 1 7 . 1 1 151 151 ALA H H 151 10.640 10.640 9.180 1.460 25554 6804 1 7 . 1 1 152 152 LYS N N 152 121.400 121.400 118.176 3.224 25554 6805 1 7 . 1 1 152 152 LYS C C 152 174.221 174.221 178.295 -4.074 25554 6806 1 7 . 1 1 152 152 LYS CA C 152 59.849 59.849 59.542 0.307 25554 6807 1 7 . 1 1 152 152 LYS CB C 152 34.668 34.668 32.393 2.275 25554 6808 1 7 . 1 1 152 152 LYS H H 152 9.099 9.099 8.512 0.587 25554 6809 1 7 . 1 1 153 153 SER N N 153 115.212 115.212 111.898 3.314 25554 6810 1 7 . 1 1 153 153 SER C C 153 177.152 177.152 174.442 2.710 25554 6811 1 7 . 1 1 153 153 SER CA C 153 62.192 62.192 57.886 4.306 25554 6812 1 7 . 1 1 153 153 SER CB C 153 66.291 66.291 63.425 2.866 25554 6813 1 7 . 1 1 153 153 SER H H 153 8.935 8.935 7.901 1.034 25554 6814 1 7 . 1 1 154 154 ASN N N 154 119.341 119.341 118.587 0.754 25554 6815 1 7 . 1 1 154 154 ASN C C 154 175.979 175.979 173.980 1.999 25554 6816 1 7 . 1 1 154 154 ASN CA C 154 49.894 49.894 54.729 -4.835 25554 6817 1 7 . 1 1 154 154 ASN CB C 154 39.353 39.353 36.845 2.508 25554 6818 1 7 . 1 1 154 154 ASN H H 154 7.488 7.488 7.761 -0.273 25554 6819 1 7 . 1 1 155 155 TYR N N 155 113.498 113.498 122.798 -9.300 25554 6820 1 7 . 1 1 155 155 TYR C C 155 173.928 173.928 174.752 -0.824 25554 6821 1 7 . 1 1 155 155 TYR CA C 155 56.336 56.336 58.426 -2.090 25554 6822 1 7 . 1 1 155 155 TYR CB C 155 37.596 37.596 38.517 -0.921 25554 6823 1 7 . 1 1 155 155 TYR H H 155 6.486 6.486 8.497 -2.011 25554 6824 1 7 . 1 1 156 156 ASN N N 156 122.396 122.396 123.414 -1.018 25554 6825 1 7 . 1 1 156 156 ASN C C 156 175.979 175.979 174.530 1.449 25554 6826 1 7 . 1 1 156 156 ASN CA C 156 51.651 51.651 53.875 -2.224 25554 6827 1 7 . 1 1 156 156 ASN CB C 156 38.767 38.767 36.110 2.657 25554 6828 1 7 . 1 1 156 156 ASN H H 156 8.352 8.352 8.486 -0.134 25554 6829 1 7 . 1 1 157 157 PHE N N 157 123.459 123.459 115.236 8.223 25554 6830 1 7 . 1 1 157 157 PHE C C 157 174.221 174.221 176.493 -2.272 25554 6831 1 7 . 1 1 157 157 PHE CA C 157 57.507 57.507 59.970 -2.463 25554 6832 1 7 . 1 1 157 157 PHE CB C 157 39.353 39.353 38.347 1.006 25554 6833 1 7 . 1 1 157 157 PHE H H 157 7.429 7.429 8.540 -1.111 25554 6834 1 7 . 1 1 158 158 GLU N N 158 112.568 112.568 120.211 -7.643 25554 6835 1 7 . 1 1 158 158 GLU C C 158 176.566 176.566 177.739 -1.173 25554 6836 1 7 . 1 1 158 158 GLU CA C 158 72.147 72.147 58.925 13.222 25554 6837 1 7 . 1 1 158 158 GLU CB C 158 27.640 27.640 28.393 -0.753 25554 6838 1 7 . 1 1 158 158 GLU H H 158 7.495 7.495 7.982 -0.487 25554 6839 1 7 . 1 1 159 159 LYS N N 159 113.232 113.232 120.358 -7.126 25554 6840 1 7 . 1 1 159 159 LYS C C 159 176.566 176.566 175.344 1.222 25554 6841 1 7 . 1 1 159 159 LYS CA C 159 53.993 53.993 60.580 -6.587 25554 6842 1 7 . 1 1 159 159 LYS CB C 159 33.496 33.496 29.916 3.580 25554 6843 1 7 . 1 1 159 159 LYS H H 159 6.862 6.862 8.047 -1.185 25554 6844 1 7 . 1 1 160 160 PRO C C 160 176.273 176.273 178.622 -2.349 25554 6845 1 7 . 1 1 160 160 PRO CA C 160 64.258 64.258 65.767 -1.509 25554 6846 1 7 . 1 1 160 160 PRO CB C 160 32.318 32.318 31.181 1.137 25554 6847 1 7 . 1 1 161 161 PHE N N 161 120.271 120.271 115.400 4.871 25554 6848 1 7 . 1 1 161 161 PHE C C 161 175.100 175.100 177.570 -2.470 25554 6849 1 7 . 1 1 161 161 PHE CA C 161 56.336 56.336 61.691 -5.355 25554 6850 1 7 . 1 1 161 161 PHE CB C 161 39.353 39.353 37.946 1.407 25554 6851 1 7 . 1 1 161 161 PHE H H 161 8.074 8.074 7.236 0.838 25554 6852 1 7 . 1 1 162 162 LEU N N 162 110.177 110.177 120.831 -10.654 25554 6853 1 7 . 1 1 162 162 LEU C C 162 176.273 176.273 177.991 -1.718 25554 6854 1 7 . 1 1 162 162 LEU CA C 162 55.750 55.750 58.024 -2.274 25554 6855 1 7 . 1 1 162 162 LEU CB C 162 44.037 44.037 41.097 2.940 25554 6856 1 7 . 1 1 162 162 LEU H H 162 7.527 7.527 8.219 -0.692 25554 6857 1 7 . 1 1 163 163 TRP N N 163 123.525 123.525 121.057 2.468 25554 6858 1 7 . 1 1 163 163 TRP C C 163 177.152 177.152 178.153 -1.001 25554 6859 1 7 . 1 1 163 163 TRP CA C 163 61.606 61.606 62.466 -0.860 25554 6860 1 7 . 1 1 163 163 TRP CB C 163 28.811 28.811 29.565 -0.754 25554 6861 1 7 . 1 1 163 163 TRP H H 163 7.476 7.476 7.932 -0.456 25554 6862 1 7 . 1 1 164 164 LEU N N 164 119.740 119.740 118.905 0.835 25554 6863 1 7 . 1 1 164 164 LEU C C 164 175.686 175.686 179.128 -3.442 25554 6864 1 7 . 1 1 164 164 LEU CA C 164 61.020 61.020 57.939 3.081 25554 6865 1 7 . 1 1 164 164 LEU CB C 164 45.794 45.794 41.527 4.267 25554 6866 1 7 . 1 1 164 164 LEU H H 164 9.412 9.412 7.987 1.425 25554 6867 1 7 . 1 1 165 165 ALA N N 165 118.013 118.013 121.813 -3.800 25554 6868 1 7 . 1 1 165 165 ALA C C 165 165.723 165.723 179.615 -13.892 25554 6869 1 7 . 1 1 165 165 ALA CA C 165 52.236 52.236 55.357 -3.121 25554 6870 1 7 . 1 1 165 165 ALA CB C 165 21.784 21.784 18.309 3.475 25554 6871 1 7 . 1 1 165 165 ALA H H 165 7.707 7.707 8.674 -0.967 25554 6872 1 7 . 1 1 166 166 ARG N N 166 122.994 122.994 118.256 4.738 25554 6873 1 7 . 1 1 166 166 ARG C C 166 175.979 175.979 178.948 -2.969 25554 6874 1 7 . 1 1 166 166 ARG CA C 166 49.308 49.308 59.392 -10.084 25554 6875 1 7 . 1 1 166 166 ARG CB C 166 29.397 29.397 30.062 -0.665 25554 6876 1 7 . 1 1 166 166 ARG H H 166 8.692 8.692 8.217 0.475 25554 6877 1 7 . 1 1 167 167 LYS N N 167 112.568 112.568 119.529 -6.961 25554 6878 1 7 . 1 1 167 167 LYS C C 167 176.273 176.273 179.265 -2.992 25554 6879 1 7 . 1 1 167 167 LYS CA C 167 58.092 58.092 58.455 -0.363 25554 6880 1 7 . 1 1 167 167 LYS CB C 167 34.668 34.668 31.594 3.074 25554 6881 1 7 . 1 1 167 167 LYS H H 167 6.819 6.819 7.658 -0.839 25554 6882 1 7 . 1 1 168 168 LEU N N 168 114.959 114.959 119.481 -4.522 25554 6883 1 7 . 1 1 168 168 LEU C C 168 177.738 177.738 179.059 -1.321 25554 6884 1 7 . 1 1 168 168 LEU CA C 168 56.921 56.921 57.365 -0.444 25554 6885 1 7 . 1 1 168 168 LEU CB C 168 41.695 41.695 41.424 0.271 25554 6886 1 7 . 1 1 168 168 LEU H H 168 7.269 7.269 7.962 -0.693 25554 6887 1 7 . 1 1 169 169 ILE N N 169 124.986 124.986 117.174 7.812 25554 6888 1 7 . 1 1 169 169 ILE C C 169 171.877 171.877 177.211 -5.334 25554 6889 1 7 . 1 1 169 169 ILE CA C 169 68.048 68.048 63.223 4.825 25554 6890 1 7 . 1 1 169 169 ILE CB C 169 39.353 39.353 38.642 0.711 25554 6891 1 7 . 1 1 169 169 ILE H H 169 8.915 8.915 8.191 0.724 25554 6892 1 7 . 1 1 170 170 GLY N N 170 113.099 113.099 106.941 6.158 25554 6893 1 7 . 1 1 170 170 GLY C C 170 162.496 162.496 173.891 -11.395 25554 6894 1 7 . 1 1 170 170 GLY CA C 170 44.037 44.037 44.883 -0.847 25554 6895 1 7 . 1 1 170 170 GLY H H 170 6.686 6.686 8.267 -1.581 25554 6896 1 7 . 1 1 171 171 ASP N N 171 113.232 113.232 121.528 -8.296 25554 6897 1 7 . 1 1 171 171 ASP C C 171 178.910 178.910 175.292 3.618 25554 6898 1 7 . 1 1 171 171 ASP CA C 171 50.479 50.479 50.414 0.065 25554 6899 1 7 . 1 1 171 171 ASP CB C 171 41.109 41.109 41.868 -0.759 25554 6900 1 7 . 1 1 171 171 ASP H H 171 6.815 6.815 7.763 -0.948 25554 6901 1 7 . 1 1 172 172 PRO C C 172 176.566 176.566 177.029 -0.463 25554 6902 1 7 . 1 1 172 172 PRO CA C 172 63.965 63.965 64.471 -0.506 25554 6903 1 7 . 1 1 172 172 PRO CB C 172 31.732 31.732 32.095 -0.363 25554 6904 1 7 . 1 1 173 173 ASN N N 173 109.779 109.779 114.316 -4.537 25554 6905 1 7 . 1 1 173 173 ASN C C 173 175.979 175.979 175.915 0.064 25554 6906 1 7 . 1 1 173 173 ASN CA C 173 54.579 54.579 53.606 0.973 25554 6907 1 7 . 1 1 173 173 ASN CB C 173 36.424 36.424 38.723 -2.299 25554 6908 1 7 . 1 1 173 173 ASN H H 173 8.016 8.016 8.322 -0.306 25554 6909 1 7 . 1 1 174 174 LEU N N 174 109.248 109.248 122.537 -13.289 25554 6910 1 7 . 1 1 174 174 LEU C C 174 176.566 176.566 175.361 1.205 25554 6911 1 7 . 1 1 174 174 LEU CA C 174 56.336 56.336 56.165 0.171 25554 6912 1 7 . 1 1 174 174 LEU CB C 174 44.037 44.037 42.657 1.380 25554 6913 1 7 . 1 1 174 174 LEU H H 174 7.871 7.871 7.366 0.505 25554 6914 1 7 . 1 1 175 175 GLU N N 175 125.185 125.185 125.380 -0.195 25554 6915 1 7 . 1 1 175 175 GLU C C 175 177.445 177.445 174.791 2.654 25554 6916 1 7 . 1 1 175 175 GLU CA C 175 76.247 76.247 54.714 21.533 25554 6917 1 7 . 1 1 175 175 GLU CB C 175 28.811 28.811 34.078 -5.267 25554 6918 1 7 . 1 1 175 175 GLU H H 175 9.127 9.127 8.468 0.659 25554 6919 1 7 . 1 1 176 176 PHE N N 176 136.873 136.873 121.543 15.330 25554 6920 1 7 . 1 1 176 176 PHE C C 176 178.617 178.617 175.833 2.784 25554 6921 1 7 . 1 1 176 176 PHE CA C 176 59.264 59.264 55.927 3.337 25554 6922 1 7 . 1 1 176 176 PHE CB C 176 44.623 44.623 39.056 5.567 25554 6923 1 7 . 1 1 176 176 PHE H H 176 10.058 10.058 8.836 1.222 25554 6924 1 7 . 1 1 177 177 VAL N N 177 118.877 118.877 123.896 -5.019 25554 6925 1 7 . 1 1 177 177 VAL C C 177 177.445 177.445 176.468 0.977 25554 6926 1 7 . 1 1 177 177 VAL CA C 177 62.777 62.777 64.726 -1.949 25554 6927 1 7 . 1 1 177 177 VAL CB C 177 34.668 34.668 32.565 2.103 25554 6928 1 7 . 1 1 177 177 VAL H H 177 7.789 7.789 9.172 -1.383 25554 6929 1 7 . 1 1 178 178 ALA N N 178 128.904 128.904 120.875 8.029 25554 6930 1 7 . 1 1 178 178 ALA CA C 178 57.507 57.507 51.140 6.367 25554 6931 1 7 . 1 1 178 178 ALA CB C 178 19.441 19.441 21.565 -2.124 25554 6932 1 7 . 1 1 178 178 ALA H H 178 7.566 7.566 7.865 -0.299 25554 6933 1 7 . 1 1 179 179 MET N N 179 120.736 120.736 123.059 -2.323 25554 6934 1 7 . 1 1 179 179 MET C C 179 176.859 176.859 175.395 1.464 25554 6935 1 7 . 1 1 179 179 MET CA C 179 56.336 56.336 52.729 3.607 25554 6936 1 7 . 1 1 179 179 MET CB C 179 34.668 34.668 31.279 3.389 25554 6937 1 7 . 1 1 179 179 MET H H 179 7.930 7.930 8.639 -0.709 25554 6938 1 7 . 1 1 180 180 PRO C C 180 177.445 177.445 175.811 1.634 25554 6939 1 7 . 1 1 180 180 PRO CA C 180 64.844 64.844 62.401 2.443 25554 6940 1 7 . 1 1 180 180 PRO CB C 180 29.974 29.974 32.399 -2.425 25554 6941 1 7 . 1 1 181 181 ALA N N 181 128.439 128.439 123.313 5.126 25554 6942 1 7 . 1 1 181 181 ALA C C 181 176.273 176.273 176.310 -0.037 25554 6943 1 7 . 1 1 181 181 ALA CA C 181 58.092 58.092 52.086 6.006 25554 6944 1 7 . 1 1 181 181 ALA CB C 181 21.198 21.198 19.555 1.643 25554 6945 1 7 . 1 1 181 181 ALA H H 181 8.673 8.673 8.352 0.321 25554 6946 1 7 . 1 1 182 182 LEU N N 182 122.130 122.130 123.126 -0.996 25554 6947 1 7 . 1 1 182 182 LEU C C 182 177.445 177.445 177.205 0.240 25554 6948 1 7 . 1 1 182 182 LEU CA C 182 55.164 55.164 52.231 2.933 25554 6949 1 7 . 1 1 182 182 LEU CB C 182 42.866 42.866 44.869 -2.003 25554 6950 1 7 . 1 1 182 182 LEU H H 182 8.821 8.821 8.121 0.700 25554 6951 1 7 . 1 1 183 183 ALA N N 183 108.783 108.783 125.239 -16.456 25554 6952 1 7 . 1 1 183 183 ALA C C 183 160.742 160.742 175.423 -14.681 25554 6953 1 7 . 1 1 183 183 ALA CA C 183 51.651 51.651 50.633 1.018 25554 6954 1 7 . 1 1 183 183 ALA CB C 183 18.856 18.856 18.024 0.832 25554 6955 1 7 . 1 1 183 183 ALA H H 183 7.621 7.621 8.278 -0.657 25554 6956 1 7 . 1 1 184 184 PRO C C 184 177.152 177.152 174.807 2.345 25554 6957 1 7 . 1 1 184 184 PRO CA C 184 64.258 64.258 61.960 2.298 25554 6958 1 7 . 1 1 184 184 PRO CB C 184 29.681 29.681 31.393 -1.712 25554 6959 1 7 . 1 1 185 185 PRO C C 185 175.686 175.686 177.192 -1.506 25554 6960 1 7 . 1 1 185 185 PRO CA C 185 63.379 63.379 63.059 0.321 25554 6961 1 7 . 1 1 185 185 PRO CB C 185 35.248 35.248 32.264 2.984 25554 6962 1 7 . 1 1 186 186 GLU N N 186 104.931 104.931 124.397 -19.466 25554 6963 1 7 . 1 1 186 186 GLU C C 186 174.221 174.221 176.519 -2.298 25554 6964 1 7 . 1 1 186 186 GLU CA C 186 57.507 57.507 58.528 -1.021 25554 6965 1 7 . 1 1 186 186 GLU CB C 186 31.739 31.739 30.187 1.552 25554 6966 1 7 . 1 1 186 186 GLU H H 186 8.673 8.673 8.764 -0.091 25554 6967 1 7 . 1 1 187 187 VAL N N 187 124.455 124.455 111.558 12.897 25554 6968 1 7 . 1 1 187 187 VAL C C 187 178.910 178.910 174.248 4.662 25554 6969 1 7 . 1 1 187 187 VAL CA C 187 63.363 63.363 60.168 3.195 25554 6970 1 7 . 1 1 187 187 VAL CB C 187 34.082 34.082 34.855 -0.772 25554 6971 1 7 . 1 1 187 187 VAL H H 187 8.622 8.622 7.449 1.173 25554 6972 1 7 . 1 1 188 188 VAL N N 188 128.572 128.572 122.032 6.540 25554 6973 1 7 . 1 1 188 188 VAL C C 188 178.324 178.324 175.183 3.141 25554 6974 1 7 . 1 1 188 188 VAL CA C 188 68.634 68.634 60.919 7.715 25554 6975 1 7 . 1 1 188 188 VAL CB C 188 31.154 31.154 33.200 -2.046 25554 6976 1 7 . 1 1 188 188 VAL H H 188 8.497 8.497 8.190 0.307 25554 6977 1 7 . 1 1 189 189 MET N N 189 122.795 122.795 126.438 -3.643 25554 6978 1 7 . 1 1 189 189 MET C C 189 177.445 177.445 175.353 2.092 25554 6979 1 7 . 1 1 189 189 MET CA C 189 55.164 55.164 55.356 -0.192 25554 6980 1 7 . 1 1 189 189 MET CB C 189 35.253 35.253 33.313 1.940 25554 6981 1 7 . 1 1 189 189 MET H H 189 6.991 6.991 8.573 -1.582 25554 6982 1 7 . 1 1 190 190 ASP N N 190 114.959 114.959 128.075 -13.116 25554 6983 1 7 . 1 1 190 190 ASP C C 190 175.686 175.686 175.591 0.095 25554 6984 1 7 . 1 1 190 190 ASP CA C 190 51.065 51.065 52.184 -1.119 25554 6985 1 7 . 1 1 190 190 ASP CB C 190 41.695 41.695 42.166 -0.471 25554 6986 1 7 . 1 1 190 190 ASP H H 190 7.210 7.210 8.489 -1.279 25554 6987 1 7 . 1 1 191 191 PRO C C 191 176.566 176.566 178.051 -1.485 25554 6988 1 7 . 1 1 191 191 PRO CA C 191 63.965 63.965 65.388 -1.423 25554 6989 1 7 . 1 1 191 191 PRO CB C 191 31.146 31.146 31.727 -0.581 25554 6990 1 7 . 1 1 192 192 ALA N N 192 109.513 109.513 119.233 -9.720 25554 6991 1 7 . 1 1 192 192 ALA CA C 192 53.993 53.993 54.738 -0.745 25554 6992 1 7 . 1 1 192 192 ALA CB C 192 19.441 19.441 18.095 1.346 25554 6993 1 7 . 1 1 192 192 ALA H H 192 7.394 7.394 8.465 -1.071 25554 6994 1 7 . 1 1 193 193 LEU N N 193 119.009 119.009 120.566 -1.557 25554 6995 1 7 . 1 1 193 193 LEU C C 193 175.979 175.979 178.291 -2.312 25554 6996 1 7 . 1 1 193 193 LEU CA C 193 56.336 56.336 57.229 -0.893 25554 6997 1 7 . 1 1 193 193 LEU CB C 193 42.866 42.866 41.206 1.660 25554 6998 1 7 . 1 1 193 193 LEU H H 193 8.340 8.340 8.290 0.050 25554 6999 1 7 . 1 1 194 194 ALA N N 194 121.666 121.666 121.197 0.469 25554 7000 1 7 . 1 1 194 194 ALA C C 194 166.896 166.896 179.271 -12.375 25554 7001 1 7 . 1 1 194 194 ALA CA C 194 55.164 55.164 54.894 0.270 25554 7002 1 7 . 1 1 194 194 ALA CB C 194 16.513 16.513 18.030 -1.517 25554 7003 1 7 . 1 1 194 194 ALA H H 194 8.176 8.176 8.014 0.162 25554 7004 1 7 . 1 1 195 195 ALA N N 195 119.541 119.541 121.286 -1.745 25554 7005 1 7 . 1 1 195 195 ALA C C 195 173.928 173.928 179.470 -5.542 25554 7006 1 7 . 1 1 195 195 ALA CA C 195 57.507 57.507 54.885 2.622 25554 7007 1 7 . 1 1 195 195 ALA CB C 195 19.441 19.441 18.218 1.223 25554 7008 1 7 . 1 1 195 195 ALA H H 195 8.364 8.364 8.404 -0.040 25554 7009 1 7 . 1 1 196 196 GLN N N 196 107.322 107.322 119.251 -11.929 25554 7010 1 7 . 1 1 196 196 GLN C C 196 176.273 176.273 178.277 -2.004 25554 7011 1 7 . 1 1 196 196 GLN CA C 196 56.921 56.921 58.619 -1.698 25554 7012 1 7 . 1 1 196 196 GLN CB C 196 29.983 29.983 28.231 1.752 25554 7013 1 7 . 1 1 196 196 GLN H H 196 7.910 7.910 8.026 -0.116 25554 7014 1 7 . 1 1 197 197 TYR N N 197 115.623 115.623 119.252 -3.629 25554 7015 1 7 . 1 1 197 197 TYR CA C 197 67.462 67.462 58.679 8.783 25554 7016 1 7 . 1 1 197 197 TYR CB C 197 41.695 41.695 37.799 3.896 25554 7017 1 7 . 1 1 197 197 TYR H H 197 8.196 8.196 8.575 -0.379 25554 7018 1 7 . 1 1 198 198 GLU N N 198 110.244 110.244 120.483 -10.239 25554 7019 1 7 . 1 1 198 198 GLU C C 198 176.273 176.273 178.984 -2.711 25554 7020 1 7 . 1 1 198 198 GLU CA C 198 53.407 53.407 59.442 -6.035 25554 7021 1 7 . 1 1 198 198 GLU CB C 198 30.568 30.568 29.662 0.906 25554 7022 1 7 . 1 1 198 198 GLU H H 198 7.523 7.523 8.557 -1.034 25554 7023 1 7 . 1 1 199 199 HIS N N 199 118.611 118.611 120.282 -1.671 25554 7024 1 7 . 1 1 199 199 HIS C C 199 175.686 175.686 177.222 -1.536 25554 7025 1 7 . 1 1 199 199 HIS CA C 199 56.921 56.921 59.894 -2.973 25554 7026 1 7 . 1 1 199 199 HIS CB C 199 28.226 28.226 30.014 -1.788 25554 7027 1 7 . 1 1 199 199 HIS H H 199 8.512 8.512 8.547 -0.035 25554 7028 1 7 . 1 1 200 200 ASP N N 200 120.736 120.736 120.658 0.078 25554 7029 1 7 . 1 1 200 200 ASP C C 200 176.273 176.273 178.842 -2.569 25554 7030 1 7 . 1 1 200 200 ASP CA C 200 56.921 56.921 57.459 -0.538 25554 7031 1 7 . 1 1 200 200 ASP CB C 200 40.524 40.524 40.480 0.044 25554 7032 1 7 . 1 1 200 200 ASP H H 200 7.519 7.519 8.674 -1.155 25554 7033 1 7 . 1 1 201 201 LEU N N 201 116.353 116.353 121.264 -4.911 25554 7034 1 7 . 1 1 201 201 LEU C C 201 178.910 178.910 178.228 0.682 25554 7035 1 7 . 1 1 201 201 LEU CA C 201 61.606 61.606 58.210 3.396 25554 7036 1 7 . 1 1 201 201 LEU CB C 201 41.109 41.109 41.910 -0.801 25554 7037 1 7 . 1 1 201 201 LEU H H 201 7.722 7.722 8.394 -0.672 25554 7038 1 7 . 1 1 202 202 GLU N N 202 118.080 118.080 119.494 -1.414 25554 7039 1 7 . 1 1 202 202 GLU C C 202 176.566 176.566 179.226 -2.660 25554 7040 1 7 . 1 1 202 202 GLU CA C 202 56.921 56.921 59.773 -2.852 25554 7041 1 7 . 1 1 202 202 GLU CB C 202 30.568 30.568 29.478 1.090 25554 7042 1 7 . 1 1 202 202 GLU H H 202 8.857 8.857 7.999 0.858 25554 7043 1 7 . 1 1 203 203 VAL N N 203 129.369 129.369 120.550 8.819 25554 7044 1 7 . 1 1 203 203 VAL C C 203 178.617 178.617 178.430 0.187 25554 7045 1 7 . 1 1 203 203 VAL CA C 203 64.534 64.534 66.111 -1.577 25554 7046 1 7 . 1 1 203 203 VAL CB C 203 27.640 27.640 31.614 -3.974 25554 7047 1 7 . 1 1 203 203 VAL H H 203 9.283 9.283 8.197 1.086 25554 7048 1 7 . 1 1 204 204 ALA N N 204 109.580 109.580 122.878 -13.298 25554 7049 1 7 . 1 1 204 204 ALA C C 204 176.859 176.859 179.737 -2.878 25554 7050 1 7 . 1 1 204 204 ALA CA C 204 54.579 54.579 55.051 -0.472 25554 7051 1 7 . 1 1 204 204 ALA CB C 204 18.270 18.270 18.461 -0.191 25554 7052 1 7 . 1 1 204 204 ALA H H 204 8.528 8.528 8.339 0.189 25554 7053 1 7 . 1 1 205 205 GLN N N 205 115.756 115.756 117.760 -2.004 25554 7054 1 7 . 1 1 205 205 GLN C C 205 175.979 175.979 178.762 -2.783 25554 7055 1 7 . 1 1 205 205 GLN CA C 205 48.137 48.137 58.120 -9.983 25554 7056 1 7 . 1 1 205 205 GLN CB C 205 25.883 25.883 28.477 -2.594 25554 7057 1 7 . 1 1 205 205 GLN H H 205 7.973 7.973 8.101 -0.128 25554 7058 1 7 . 1 1 206 206 THR N N 206 120.271 120.271 110.725 9.546 25554 7059 1 7 . 1 1 206 206 THR C C 206 176.273 176.273 175.707 0.566 25554 7060 1 7 . 1 1 206 206 THR CA C 206 67.462 67.462 63.730 3.732 25554 7061 1 7 . 1 1 206 206 THR CB C 206 70.390 70.390 69.399 0.991 25554 7062 1 7 . 1 1 206 206 THR H H 206 7.585 7.585 7.920 -0.335 25554 7063 1 7 . 1 1 207 207 THR N N 207 111.970 111.970 113.309 -1.339 25554 7064 1 7 . 1 1 207 207 THR C C 207 176.566 176.566 175.191 1.375 25554 7065 1 7 . 1 1 207 207 THR CA C 207 64.534 64.534 59.573 4.961 25554 7066 1 7 . 1 1 207 207 THR CB C 207 72.733 72.733 71.831 0.902 25554 7067 1 7 . 1 1 207 207 THR H H 207 7.468 7.468 7.813 -0.345 25554 7068 1 7 . 1 1 208 208 ALA N N 208 115.623 115.623 124.661 -9.038 25554 7069 1 7 . 1 1 208 208 ALA C C 208 168.947 168.947 177.905 -8.958 25554 7070 1 7 . 1 1 208 208 ALA CA C 208 55.164 55.164 53.389 1.774 25554 7071 1 7 . 1 1 208 208 ALA CB C 208 22.369 22.369 18.607 3.762 25554 7072 1 7 . 1 1 208 208 ALA H H 208 7.390 7.390 8.606 -1.216 25554 7073 1 7 . 1 1 209 209 LEU N N 209 117.814 117.814 119.651 -1.837 25554 7074 1 7 . 1 1 209 209 LEU C C 209 176.273 176.273 176.140 0.133 25554 7075 1 7 . 1 1 209 209 LEU CA C 209 58.678 58.678 53.724 4.954 25554 7076 1 7 . 1 1 209 209 LEU CB C 209 46.380 46.380 42.016 4.364 25554 7077 1 7 . 1 1 209 209 LEU H H 209 7.652 7.652 7.995 -0.343 25554 7078 1 7 . 1 1 210 210 PRO C C 210 176.566 176.566 176.931 -0.365 25554 7079 1 7 . 1 1 210 210 PRO CA C 210 63.086 63.086 64.265 -1.179 25554 7080 1 7 . 1 1 210 210 PRO CB C 210 31.146 31.146 32.128 -0.982 25554 7081 1 7 . 1 1 211 211 ASP N N 211 121.134 121.134 117.648 3.486 25554 7082 1 7 . 1 1 211 211 ASP C C 211 176.273 176.273 178.417 -2.144 25554 7083 1 7 . 1 1 211 211 ASP CA C 211 52.236 52.236 56.503 -4.267 25554 7084 1 7 . 1 1 211 211 ASP CB C 211 42.281 42.281 40.638 1.643 25554 7085 1 7 . 1 1 211 211 ASP H H 211 9.510 9.510 8.654 0.856 25554 7086 1 7 . 1 1 212 212 GLU N N 212 131.162 131.162 119.894 11.268 25554 7087 1 7 . 1 1 212 212 GLU C C 212 176.273 176.273 177.974 -1.701 25554 7088 1 7 . 1 1 212 212 GLU CA C 212 55.164 55.164 59.702 -4.538 25554 7089 1 7 . 1 1 212 212 GLU CB C 212 30.568 30.568 29.671 0.897 25554 7090 1 7 . 1 1 212 212 GLU H H 212 8.399 8.399 8.466 -0.067 25554 7091 1 7 . 1 1 213 213 ASP N N 213 115.822 115.822 118.497 -2.675 25554 7092 1 7 . 1 1 213 213 ASP C C 213 174.807 174.807 177.820 -3.013 25554 7093 1 7 . 1 1 213 213 ASP CA C 213 51.065 51.065 56.744 -5.679 25554 7094 1 7 . 1 1 213 213 ASP CB C 213 41.109 41.109 40.164 0.945 25554 7095 1 7 . 1 1 213 213 ASP H H 213 10.699 10.699 8.334 2.365 25554 7096 1 7 . 1 1 214 214 ASP N N 214 112.369 112.369 119.896 -7.527 25554 7097 1 7 . 1 1 214 214 ASP C C 214 178.910 178.910 177.861 1.049 25554 7098 1 7 . 1 1 214 214 ASP CA C 214 54.579 54.579 56.508 -1.929 25554 7099 1 7 . 1 1 214 214 ASP CB C 214 39.353 39.353 40.568 -1.215 25554 7100 1 7 . 1 1 214 214 ASP H H 214 7.464 7.464 8.340 -0.876 25554 7101 1 7 . 1 1 215 215 ASP N N 215 127.244 127.244 119.083 8.161 25554 7102 1 7 . 1 1 215 215 ASP C C 215 176.859 176.859 177.326 -0.467 25554 7103 1 7 . 1 1 215 215 ASP CA C 215 54.579 54.579 55.721 -1.142 25554 7104 1 7 . 1 1 215 215 ASP CB C 215 40.524 40.524 41.145 -0.621 25554 7105 1 7 . 1 1 215 215 ASP H H 215 8.301 8.301 7.763 0.538 25554 7106 1 8 . 1 1 2 2 ALA N N 2 131.228 131.228 124.225 7.003 25554 7107 1 8 . 1 1 2 2 ALA C C 2 187.031 187.031 179.122 7.909 25554 7108 1 8 . 1 1 2 2 ALA CA C 2 53.407 53.407 54.923 -1.516 25554 7109 1 8 . 1 1 2 2 ALA CB C 2 20.027 20.027 18.030 1.997 25554 7110 1 8 . 1 1 2 2 ALA H H 2 10.644 10.644 8.410 2.234 25554 7111 1 8 . 1 1 3 3 ALA N N 3 124.521 124.521 120.486 4.035 25554 7112 1 8 . 1 1 3 3 ALA C C 3 176.566 176.566 179.336 -2.770 25554 7113 1 8 . 1 1 3 3 ALA CA C 3 49.894 49.894 54.159 -4.265 25554 7114 1 8 . 1 1 3 3 ALA CB C 3 18.270 18.270 18.336 -0.066 25554 7115 1 8 . 1 1 3 3 ALA H H 3 8.669 8.669 8.267 0.402 25554 7116 1 8 . 1 1 4 4 GLN N N 4 118.080 118.080 118.329 -0.249 25554 7117 1 8 . 1 1 4 4 GLN C C 4 176.273 176.273 178.306 -2.033 25554 7118 1 8 . 1 1 4 4 GLN CA C 4 54.579 54.579 58.097 -3.518 25554 7119 1 8 . 1 1 4 4 GLN CB C 4 27.054 27.054 28.633 -1.579 25554 7120 1 8 . 1 1 4 4 GLN H H 4 8.919 8.919 8.159 0.760 25554 7121 1 8 . 1 1 5 5 GLY N N 5 121.002 121.002 107.622 13.380 25554 7122 1 8 . 1 1 5 5 GLY C C 5 181.877 181.877 175.577 6.300 25554 7123 1 8 . 1 1 5 5 GLY CA C 5 45.794 45.794 46.855 -1.060 25554 7124 1 8 . 1 1 5 5 GLY H H 5 8.082 8.082 8.306 -0.224 25554 7125 1 8 . 1 1 6 6 GLU N N 6 129.435 129.435 119.619 9.816 25554 7126 1 8 . 1 1 6 6 GLU C C 6 176.566 176.566 176.520 0.046 25554 7127 1 8 . 1 1 6 6 GLU CA C 6 56.336 56.336 59.068 -2.732 25554 7128 1 8 . 1 1 6 6 GLU CB C 6 28.811 28.811 29.068 -0.257 25554 7129 1 8 . 1 1 6 6 GLU H H 6 9.267 9.267 7.836 1.431 25554 7130 1 8 . 1 1 7 7 PRO C C 7 176.566 176.566 176.107 0.459 25554 7131 1 8 . 1 1 7 7 PRO CA C 7 63.672 63.672 63.117 0.555 25554 7132 1 8 . 1 1 7 7 PRO CB C 7 31.146 31.146 32.251 -1.105 25554 7133 1 8 . 1 1 8 8 GLN N N 8 112.502 112.502 118.330 -5.828 25554 7134 1 8 . 1 1 8 8 GLN C C 8 177.445 177.445 174.428 3.017 25554 7135 1 8 . 1 1 8 8 GLN CA C 8 50.479 50.479 54.466 -3.987 25554 7136 1 8 . 1 1 8 8 GLN CB C 8 28.811 28.811 31.221 -2.410 25554 7137 1 8 . 1 1 8 8 GLN H H 8 6.220 6.220 8.022 -1.802 25554 7138 1 8 . 1 1 9 9 VAL N N 9 117.416 117.416 127.551 -10.135 25554 7139 1 8 . 1 1 9 9 VAL C C 9 178.324 178.324 174.448 3.876 25554 7140 1 8 . 1 1 9 9 VAL CA C 9 63.363 63.363 61.572 1.791 25554 7141 1 8 . 1 1 9 9 VAL CB C 9 34.668 34.668 33.312 1.356 25554 7142 1 8 . 1 1 9 9 VAL H H 9 6.561 6.561 8.738 -2.177 25554 7143 1 8 . 1 1 10 10 GLN N N 10 113.896 113.896 124.075 -10.179 25554 7144 1 8 . 1 1 10 10 GLN C C 10 176.273 176.273 174.679 1.594 25554 7145 1 8 . 1 1 10 10 GLN CA C 10 55.164 55.164 53.786 1.378 25554 7146 1 8 . 1 1 10 10 GLN CB C 10 28.226 28.226 32.495 -4.269 25554 7147 1 8 . 1 1 10 10 GLN H H 10 7.847 7.847 8.066 -0.219 25554 7148 1 8 . 1 1 11 11 PHE N N 11 118.744 118.744 122.208 -3.464 25554 7149 1 8 . 1 1 11 11 PHE C C 11 176.566 176.566 174.789 1.777 25554 7150 1 8 . 1 1 11 11 PHE CA C 11 59.849 59.849 56.368 3.481 25554 7151 1 8 . 1 1 11 11 PHE CB C 11 41.109 41.109 42.580 -1.470 25554 7152 1 8 . 1 1 11 11 PHE H H 11 8.262 8.262 8.987 -0.725 25554 7153 1 8 . 1 1 12 12 LYS N N 12 124.123 124.123 123.732 0.391 25554 7154 1 8 . 1 1 12 12 LYS C C 12 177.152 177.152 175.168 1.984 25554 7155 1 8 . 1 1 12 12 LYS CA C 12 57.507 57.507 55.783 1.724 25554 7156 1 8 . 1 1 12 12 LYS CB C 12 28.811 28.811 32.745 -3.934 25554 7157 1 8 . 1 1 12 12 LYS H H 12 8.415 8.415 9.088 -0.673 25554 7158 1 8 . 1 1 13 13 LEU N N 13 112.103 112.103 128.242 -16.139 25554 7159 1 8 . 1 1 13 13 LEU C C 13 177.738 177.738 174.926 2.812 25554 7160 1 8 . 1 1 13 13 LEU CA C 13 54.579 54.579 53.517 1.062 25554 7161 1 8 . 1 1 13 13 LEU CB C 13 42.866 42.866 45.804 -2.938 25554 7162 1 8 . 1 1 13 13 LEU H H 13 6.905 6.905 9.211 -2.306 25554 7163 1 8 . 1 1 14 14 VAL N N 14 127.310 127.310 127.280 0.030 25554 7164 1 8 . 1 1 14 14 VAL C C 14 175.393 175.393 174.282 1.111 25554 7165 1 8 . 1 1 14 14 VAL CA C 14 70.976 70.976 61.971 9.005 25554 7166 1 8 . 1 1 14 14 VAL CB C 14 28.811 28.811 32.770 -3.959 25554 7167 1 8 . 1 1 14 14 VAL H H 14 8.305 8.305 9.069 -0.764 25554 7168 1 8 . 1 1 15 15 LEU N N 15 121.400 121.400 129.452 -8.052 25554 7169 1 8 . 1 1 15 15 LEU C C 15 173.342 173.342 176.154 -2.812 25554 7170 1 8 . 1 1 15 15 LEU CA C 15 56.336 56.336 53.819 2.517 25554 7171 1 8 . 1 1 15 15 LEU CB C 15 41.695 41.695 42.822 -1.127 25554 7172 1 8 . 1 1 15 15 LEU H H 15 7.785 7.785 8.444 -0.659 25554 7173 1 8 . 1 1 16 16 VAL N N 16 121.267 121.267 116.482 4.785 25554 7174 1 8 . 1 1 16 16 VAL C C 16 178.324 178.324 174.522 3.802 25554 7175 1 8 . 1 1 16 16 VAL CA C 16 63.363 63.363 58.627 4.736 25554 7176 1 8 . 1 1 16 16 VAL CB C 16 35.839 35.839 35.491 0.348 25554 7177 1 8 . 1 1 16 16 VAL H H 16 8.935 8.935 8.942 -0.007 25554 7178 1 8 . 1 1 17 17 GLY N N 17 127.908 127.908 107.389 20.519 25554 7179 1 8 . 1 1 17 17 GLY C C 17 174.514 174.514 171.841 2.673 25554 7180 1 8 . 1 1 17 17 GLY CA C 17 42.281 42.281 44.576 -2.295 25554 7181 1 8 . 1 1 17 17 GLY H H 17 9.682 9.682 7.579 2.103 25554 7182 1 8 . 1 1 18 18 ASP N N 18 119.673 119.673 119.016 0.657 25554 7183 1 8 . 1 1 18 18 ASP C C 18 176.859 176.859 177.116 -0.257 25554 7184 1 8 . 1 1 18 18 ASP CA C 18 55.750 55.750 52.398 3.352 25554 7185 1 8 . 1 1 18 18 ASP CB C 18 39.938 39.938 43.210 -3.272 25554 7186 1 8 . 1 1 18 18 ASP H H 18 7.879 7.879 7.986 -0.107 25554 7187 1 8 . 1 1 19 19 GLY N N 19 120.670 120.670 109.962 10.708 25554 7188 1 8 . 1 1 19 19 GLY C C 19 178.324 178.324 174.616 3.708 25554 7189 1 8 . 1 1 19 19 GLY CA C 19 42.281 42.281 45.507 -3.226 25554 7190 1 8 . 1 1 19 19 GLY H H 19 8.825 8.825 8.489 0.336 25554 7191 1 8 . 1 1 20 20 GLY N N 20 129.369 129.369 110.958 18.411 25554 7192 1 8 . 1 1 20 20 GLY C C 20 174.221 174.221 175.734 -1.513 25554 7193 1 8 . 1 1 20 20 GLY CA C 20 41.695 41.695 45.702 -4.007 25554 7194 1 8 . 1 1 20 20 GLY H H 20 8.477 8.477 8.545 -0.068 25554 7195 1 8 . 1 1 21 21 THR N N 21 114.560 114.560 112.653 1.907 25554 7196 1 8 . 1 1 21 21 THR C C 21 178.617 178.617 175.174 3.443 25554 7197 1 8 . 1 1 21 21 THR CA C 21 62.192 62.192 61.764 0.428 25554 7198 1 8 . 1 1 21 21 THR CB C 21 70.390 70.390 68.831 1.559 25554 7199 1 8 . 1 1 21 21 THR H H 21 8.196 8.196 7.822 0.374 25554 7200 1 8 . 1 1 22 22 GLY N N 22 112.369 112.369 110.222 2.147 25554 7201 1 8 . 1 1 22 22 GLY C C 22 184.807 184.807 174.987 9.820 25554 7202 1 8 . 1 1 22 22 GLY CA C 22 45.209 45.209 45.608 -0.399 25554 7203 1 8 . 1 1 22 22 GLY H H 22 6.772 6.772 8.437 -1.665 25554 7204 1 8 . 1 1 23 23 LYS N N 23 124.056 124.056 120.338 3.718 25554 7205 1 8 . 1 1 23 23 LYS C C 23 176.566 176.566 177.923 -1.357 25554 7206 1 8 . 1 1 23 23 LYS CA C 23 56.921 56.921 59.578 -2.657 25554 7207 1 8 . 1 1 23 23 LYS CB C 23 35.839 35.839 32.209 3.631 25554 7208 1 8 . 1 1 23 23 LYS H H 23 8.180 8.180 8.310 -0.130 25554 7209 1 8 . 1 1 24 24 THR N N 24 114.627 114.627 114.471 0.156 25554 7210 1 8 . 1 1 24 24 THR C C 24 178.324 178.324 176.784 1.540 25554 7211 1 8 . 1 1 24 24 THR CA C 24 62.192 62.192 66.512 -4.320 25554 7212 1 8 . 1 1 24 24 THR CB C 24 71.562 71.562 68.468 3.094 25554 7213 1 8 . 1 1 24 24 THR H H 24 8.469 8.469 8.286 0.183 25554 7214 1 8 . 1 1 25 25 THR N N 25 110.377 110.377 118.679 -8.302 25554 7215 1 8 . 1 1 25 25 THR C C 25 178.324 178.324 175.925 2.399 25554 7216 1 8 . 1 1 25 25 THR CA C 25 64.534 64.534 67.339 -2.805 25554 7217 1 8 . 1 1 25 25 THR CB C 25 71.562 71.562 68.575 2.987 25554 7218 1 8 . 1 1 25 25 THR H H 25 8.415 8.415 8.145 0.270 25554 7219 1 8 . 1 1 26 26 PHE N N 26 114.295 114.295 122.151 -7.856 25554 7220 1 8 . 1 1 26 26 PHE C C 26 174.514 174.514 177.008 -2.494 25554 7221 1 8 . 1 1 26 26 PHE CA C 26 53.407 53.407 61.647 -8.240 25554 7222 1 8 . 1 1 26 26 PHE CB C 26 40.524 40.524 39.264 1.260 25554 7223 1 8 . 1 1 26 26 PHE H H 26 7.707 7.707 8.055 -0.348 25554 7224 1 8 . 1 1 27 27 VAL N N 27 123.525 123.525 118.146 5.379 25554 7225 1 8 . 1 1 27 27 VAL C C 27 178.031 178.031 178.183 -0.152 25554 7226 1 8 . 1 1 27 27 VAL CA C 27 67.462 67.462 66.156 1.306 25554 7227 1 8 . 1 1 27 27 VAL CB C 27 29.397 29.397 31.578 -2.181 25554 7228 1 8 . 1 1 27 27 VAL H H 27 6.987 6.987 8.195 -1.208 25554 7229 1 8 . 1 1 28 28 LYS N N 28 114.228 114.228 118.518 -4.290 25554 7230 1 8 . 1 1 28 28 LYS C C 28 176.566 176.566 178.165 -1.599 25554 7231 1 8 . 1 1 28 28 LYS CA C 28 58.092 58.092 58.247 -0.155 25554 7232 1 8 . 1 1 28 28 LYS CB C 28 34.082 34.082 31.972 2.110 25554 7233 1 8 . 1 1 28 28 LYS H H 28 7.429 7.429 8.106 -0.677 25554 7234 1 8 . 1 1 29 29 ARG N N 29 112.037 112.037 116.472 -4.435 25554 7235 1 8 . 1 1 29 29 ARG C C 29 174.221 174.221 176.359 -2.138 25554 7236 1 8 . 1 1 29 29 ARG CA C 29 72.147 72.147 58.279 13.868 25554 7237 1 8 . 1 1 29 29 ARG CB C 29 37.596 37.596 29.531 8.065 25554 7238 1 8 . 1 1 29 29 ARG H H 29 6.803 6.803 7.654 -0.851 25554 7239 1 8 . 1 1 30 30 HIS N N 30 122.396 122.396 119.184 3.212 25554 7240 1 8 . 1 1 30 30 HIS C C 30 172.170 172.170 176.475 -4.305 25554 7241 1 8 . 1 1 30 30 HIS CA C 30 51.651 51.651 55.648 -3.997 25554 7242 1 8 . 1 1 30 30 HIS CB C 30 30.568 30.568 29.492 1.076 25554 7243 1 8 . 1 1 30 30 HIS H H 30 7.644 7.644 7.147 0.497 25554 7244 1 8 . 1 1 31 31 LEU N N 31 110.377 110.377 127.967 -17.590 25554 7245 1 8 . 1 1 31 31 LEU C C 31 178.031 178.031 178.579 -0.548 25554 7246 1 8 . 1 1 31 31 LEU CA C 31 55.164 55.164 57.841 -2.677 25554 7247 1 8 . 1 1 31 31 LEU CB C 31 42.281 42.281 41.804 0.477 25554 7248 1 8 . 1 1 31 31 LEU H H 31 7.894 7.894 8.160 -0.266 25554 7249 1 8 . 1 1 32 32 THR N N 32 118.213 118.213 114.424 3.789 25554 7250 1 8 . 1 1 32 32 THR C C 32 178.910 178.910 176.875 2.035 25554 7251 1 8 . 1 1 32 32 THR CA C 32 63.949 63.949 67.199 -3.250 25554 7252 1 8 . 1 1 32 32 THR CB C 32 72.733 72.733 68.473 4.260 25554 7253 1 8 . 1 1 32 32 THR H H 32 7.570 7.570 7.916 -0.346 25554 7254 1 8 . 1 1 33 33 GLY N N 33 127.841 127.841 109.742 18.099 25554 7255 1 8 . 1 1 33 33 GLY C C 33 161.914 161.914 175.858 -13.944 25554 7256 1 8 . 1 1 33 33 GLY CA C 33 42.866 42.866 46.932 -4.066 25554 7257 1 8 . 1 1 33 33 GLY H H 33 9.662 9.662 9.132 0.530 25554 7258 1 8 . 1 1 34 34 GLU N N 34 122.263 122.263 122.905 -0.642 25554 7259 1 8 . 1 1 34 34 GLU C C 34 176.859 176.859 179.211 -2.352 25554 7260 1 8 . 1 1 34 34 GLU CA C 34 51.651 51.651 58.343 -6.692 25554 7261 1 8 . 1 1 34 34 GLU CB C 34 29.397 29.397 29.257 0.140 25554 7262 1 8 . 1 1 34 34 GLU H H 34 7.140 7.140 7.797 -0.657 25554 7263 1 8 . 1 1 35 35 PHE N N 35 111.838 111.838 117.740 -5.902 25554 7264 1 8 . 1 1 35 35 PHE C C 35 174.221 174.221 178.220 -3.999 25554 7265 1 8 . 1 1 35 35 PHE CA C 35 49.308 49.308 59.784 -10.476 25554 7266 1 8 . 1 1 35 35 PHE CB C 35 41.695 41.695 39.086 2.609 25554 7267 1 8 . 1 1 35 35 PHE H H 35 6.772 6.772 7.993 -1.221 25554 7268 1 8 . 1 1 36 36 GLU N N 36 124.388 124.388 119.674 4.714 25554 7269 1 8 . 1 1 36 36 GLU C C 36 176.859 176.859 174.731 2.128 25554 7270 1 8 . 1 1 36 36 GLU CA C 36 58.092 58.092 55.281 2.811 25554 7271 1 8 . 1 1 36 36 GLU CB C 36 30.568 30.568 28.163 2.405 25554 7272 1 8 . 1 1 36 36 GLU H H 36 7.734 7.734 8.592 -0.858 25554 7273 1 8 . 1 1 37 37 LYS N N 37 118.810 118.810 119.557 -0.747 25554 7274 1 8 . 1 1 37 37 LYS C C 37 172.756 172.756 176.171 -3.415 25554 7275 1 8 . 1 1 37 37 LYS CA C 37 48.137 48.137 54.474 -6.337 25554 7276 1 8 . 1 1 37 37 LYS CB C 37 37.010 37.010 33.852 3.158 25554 7277 1 8 . 1 1 37 37 LYS H H 37 8.509 8.509 7.390 1.119 25554 7278 1 8 . 1 1 38 38 LYS N N 38 108.052 108.052 125.723 -17.671 25554 7279 1 8 . 1 1 38 38 LYS C C 38 176.273 176.273 174.979 1.294 25554 7280 1 8 . 1 1 38 38 LYS CA C 38 59.849 59.849 55.006 4.843 25554 7281 1 8 . 1 1 38 38 LYS CB C 38 34.668 34.668 34.943 -0.275 25554 7282 1 8 . 1 1 38 38 LYS H H 38 7.715 7.715 8.542 -0.827 25554 7283 1 8 . 1 1 39 39 TYR N N 39 108.650 108.650 123.317 -14.667 25554 7284 1 8 . 1 1 39 39 TYR C C 39 175.686 175.686 176.530 -0.844 25554 7285 1 8 . 1 1 39 39 TYR CA C 39 61.020 61.020 58.332 2.688 25554 7286 1 8 . 1 1 39 39 TYR CB C 39 36.424 36.424 39.274 -2.850 25554 7287 1 8 . 1 1 39 39 TYR H H 39 7.362 7.362 8.862 -1.500 25554 7288 1 8 . 1 1 40 40 VAL N N 40 117.947 117.947 125.869 -7.922 25554 7289 1 8 . 1 1 40 40 VAL C C 40 175.393 175.393 175.519 -0.126 25554 7290 1 8 . 1 1 40 40 VAL CA C 40 61.020 61.020 61.219 -0.199 25554 7291 1 8 . 1 1 40 40 VAL CB C 40 31.154 31.154 32.474 -1.320 25554 7292 1 8 . 1 1 40 40 VAL H H 40 8.442 8.442 8.918 -0.476 25554 7293 1 8 . 1 1 42 42 THR N N 42 117.150 117.150 114.468 2.682 25554 7294 1 8 . 1 1 42 42 THR C C 42 178.910 178.910 176.737 2.173 25554 7295 1 8 . 1 1 42 42 THR CA C 42 60.435 60.435 64.699 -4.264 25554 7296 1 8 . 1 1 42 42 THR CB C 42 70.390 70.390 68.666 1.724 25554 7297 1 8 . 1 1 42 42 THR H H 42 8.192 8.192 8.130 0.062 25554 7298 1 8 . 1 1 43 43 LEU N N 43 119.209 119.209 120.946 -1.737 25554 7299 1 8 . 1 1 43 43 LEU C C 43 174.807 174.807 177.518 -2.711 25554 7300 1 8 . 1 1 43 43 LEU CA C 43 57.507 57.507 55.769 1.738 25554 7301 1 8 . 1 1 43 43 LEU CB C 43 42.866 42.866 42.144 0.722 25554 7302 1 8 . 1 1 43 43 LEU H H 43 9.260 9.260 8.112 1.148 25554 7303 1 8 . 1 1 44 44 GLY N N 44 114.361 114.361 106.737 7.624 25554 7304 1 8 . 1 1 44 44 GLY C C 44 178.910 178.910 173.596 5.314 25554 7305 1 8 . 1 1 44 44 GLY CA C 44 54.579 54.579 45.708 8.871 25554 7306 1 8 . 1 1 44 44 GLY H H 44 6.979 6.979 7.948 -0.969 25554 7307 1 8 . 1 1 45 45 VAL N N 45 110.244 110.244 118.238 -7.994 25554 7308 1 8 . 1 1 45 45 VAL C C 45 174.807 174.807 173.774 1.033 25554 7309 1 8 . 1 1 45 45 VAL CA C 45 63.363 63.363 60.517 2.846 25554 7310 1 8 . 1 1 45 45 VAL CB C 45 17.099 17.099 36.090 -18.991 25554 7311 1 8 . 1 1 45 45 VAL H H 45 8.309 8.309 7.982 0.327 25554 7312 1 8 . 1 1 46 46 GLU N N 46 130.365 130.365 126.414 3.951 25554 7313 1 8 . 1 1 46 46 GLU C C 46 176.859 176.859 174.985 1.874 25554 7314 1 8 . 1 1 46 46 GLU CA C 46 55.164 55.164 53.876 1.288 25554 7315 1 8 . 1 1 46 46 GLU CB C 46 32.325 32.325 32.099 0.226 25554 7316 1 8 . 1 1 46 46 GLU H H 46 9.741 9.741 8.950 0.791 25554 7317 1 8 . 1 1 47 47 VAL N N 47 115.623 115.623 127.353 -11.730 25554 7318 1 8 . 1 1 47 47 VAL C C 47 178.324 178.324 174.546 3.778 25554 7319 1 8 . 1 1 47 47 VAL CA C 47 63.363 63.363 60.653 2.710 25554 7320 1 8 . 1 1 47 47 VAL CB C 47 32.911 32.911 32.931 -0.020 25554 7321 1 8 . 1 1 47 47 VAL H H 47 7.339 7.339 8.679 -1.340 25554 7322 1 8 . 1 1 48 48 HIS N N 48 129.236 129.236 126.443 2.793 25554 7323 1 8 . 1 1 48 48 HIS C C 48 169.240 169.240 173.092 -3.852 25554 7324 1 8 . 1 1 48 48 HIS CA C 48 49.894 49.894 53.132 -3.238 25554 7325 1 8 . 1 1 48 48 HIS CB C 48 27.640 27.640 32.005 -4.365 25554 7326 1 8 . 1 1 48 48 HIS H H 48 10.390 10.390 9.105 1.285 25554 7327 1 8 . 1 1 49 49 PRO C C 49 176.273 176.273 175.729 0.544 25554 7328 1 8 . 1 1 49 49 PRO CA C 49 62.500 62.500 63.197 -0.697 25554 7329 1 8 . 1 1 49 49 PRO CB C 49 29.974 29.974 31.891 -1.917 25554 7330 1 8 . 1 1 50 50 LEU N N 50 119.408 119.408 126.868 -7.460 25554 7331 1 8 . 1 1 50 50 LEU C C 50 177.445 177.445 174.874 2.571 25554 7332 1 8 . 1 1 50 50 LEU CA C 50 59.264 59.264 53.543 5.721 25554 7333 1 8 . 1 1 50 50 LEU CB C 50 42.281 42.281 43.394 -1.113 25554 7334 1 8 . 1 1 50 50 LEU H H 50 7.492 7.492 8.994 -1.502 25554 7335 1 8 . 1 1 51 51 VAL N N 51 117.947 117.947 122.272 -4.325 25554 7336 1 8 . 1 1 51 51 VAL C C 51 174.514 174.514 174.530 -0.016 25554 7337 1 8 . 1 1 51 51 VAL CA C 51 64.534 64.534 61.122 3.412 25554 7338 1 8 . 1 1 51 51 VAL CB C 51 37.010 37.010 33.452 3.558 25554 7339 1 8 . 1 1 51 51 VAL H H 51 7.715 7.715 8.086 -0.371 25554 7340 1 8 . 1 1 52 52 PHE N N 52 124.853 124.853 125.884 -1.031 25554 7341 1 8 . 1 1 52 52 PHE C C 52 175.100 175.100 174.138 0.962 25554 7342 1 8 . 1 1 52 52 PHE CA C 52 56.336 56.336 56.202 0.134 25554 7343 1 8 . 1 1 52 52 PHE CB C 52 39.938 39.938 41.991 -2.053 25554 7344 1 8 . 1 1 52 52 PHE H H 52 8.935 8.935 8.876 0.059 25554 7345 1 8 . 1 1 53 53 HIS N N 53 120.603 120.603 122.717 -2.114 25554 7346 1 8 . 1 1 53 53 HIS C C 53 170.119 170.119 174.778 -4.659 25554 7347 1 8 . 1 1 53 53 HIS CA C 53 55.164 55.164 55.602 -0.438 25554 7348 1 8 . 1 1 53 53 HIS CB C 53 30.568 30.568 30.687 -0.119 25554 7349 1 8 . 1 1 53 53 HIS H H 53 8.356 8.356 8.373 -0.017 25554 7350 1 8 . 1 1 54 54 THR N N 54 112.634 112.634 116.871 -4.237 25554 7351 1 8 . 1 1 54 54 THR C C 54 178.910 178.910 175.968 2.942 25554 7352 1 8 . 1 1 54 54 THR CA C 54 63.363 63.363 59.609 3.753 25554 7353 1 8 . 1 1 54 54 THR CB C 54 72.733 72.733 71.334 1.399 25554 7354 1 8 . 1 1 54 54 THR H H 54 7.574 7.574 8.987 -1.413 25554 7355 1 8 . 1 1 55 55 ASN N N 55 131.095 131.095 121.941 9.154 25554 7356 1 8 . 1 1 55 55 ASN C C 55 176.273 176.273 176.632 -0.359 25554 7357 1 8 . 1 1 55 55 ASN CA C 55 51.065 51.065 56.111 -5.046 25554 7358 1 8 . 1 1 55 55 ASN CB C 55 37.010 37.010 38.156 -1.145 25554 7359 1 8 . 1 1 55 55 ASN H H 55 10.187 10.187 9.133 1.054 25554 7360 1 8 . 1 1 56 56 ARG N N 56 122.064 122.064 117.927 4.137 25554 7361 1 8 . 1 1 56 56 ARG C C 56 175.100 175.100 176.142 -1.042 25554 7362 1 8 . 1 1 56 56 ARG CA C 56 61.606 61.606 56.297 5.309 25554 7363 1 8 . 1 1 56 56 ARG CB C 56 32.911 32.911 30.550 2.361 25554 7364 1 8 . 1 1 56 56 ARG H H 56 7.433 7.433 8.329 -0.896 25554 7365 1 8 . 1 1 57 57 GLY N N 57 127.709 127.709 106.698 21.011 25554 7366 1 8 . 1 1 57 57 GLY C C 57 175.979 175.979 171.352 4.627 25554 7367 1 8 . 1 1 57 57 GLY CA C 57 42.281 42.281 44.417 -2.136 25554 7368 1 8 . 1 1 57 57 GLY H H 57 9.373 9.373 8.069 1.304 25554 7369 1 8 . 1 1 58 58 PRO C C 58 177.152 177.152 175.709 1.443 25554 7370 1 8 . 1 1 58 58 PRO CA C 58 65.137 65.137 62.714 2.423 25554 7371 1 8 . 1 1 58 58 PRO CB C 58 29.095 29.095 32.617 -3.522 25554 7372 1 8 . 1 1 59 59 ILE N N 59 128.638 128.638 123.117 5.521 25554 7373 1 8 . 1 1 59 59 ILE C C 59 175.979 175.979 174.423 1.556 25554 7374 1 8 . 1 1 59 59 ILE CA C 59 65.120 65.120 60.002 5.118 25554 7375 1 8 . 1 1 59 59 ILE CB C 59 40.524 40.524 41.950 -1.426 25554 7376 1 8 . 1 1 59 59 ILE H H 59 8.794 8.794 8.866 -0.072 25554 7377 1 8 . 1 1 60 60 LYS N N 60 115.756 115.756 126.334 -10.578 25554 7378 1 8 . 1 1 60 60 LYS C C 60 175.979 175.979 174.983 0.996 25554 7379 1 8 . 1 1 60 60 LYS CA C 60 56.921 56.921 54.056 2.865 25554 7380 1 8 . 1 1 60 60 LYS CB C 60 32.325 32.325 35.996 -3.671 25554 7381 1 8 . 1 1 60 60 LYS H H 60 7.253 7.253 8.922 -1.669 25554 7382 1 8 . 1 1 61 61 PHE N N 61 120.670 120.670 125.151 -4.481 25554 7383 1 8 . 1 1 61 61 PHE C C 61 175.393 175.393 175.306 0.087 25554 7384 1 8 . 1 1 61 61 PHE CA C 61 57.507 57.507 56.387 1.120 25554 7385 1 8 . 1 1 61 61 PHE CB C 61 41.109 41.109 41.456 -0.347 25554 7386 1 8 . 1 1 61 61 PHE H H 61 7.515 7.515 9.413 -1.898 25554 7387 1 8 . 1 1 62 62 ASN N N 62 119.076 119.076 123.869 -4.793 25554 7388 1 8 . 1 1 62 62 ASN C C 62 175.100 175.100 174.749 0.351 25554 7389 1 8 . 1 1 62 62 ASN CA C 62 53.407 53.407 52.559 0.848 25554 7390 1 8 . 1 1 62 62 ASN CB C 62 38.767 38.767 38.639 0.127 25554 7391 1 8 . 1 1 62 62 ASN H H 62 7.558 7.558 9.300 -1.742 25554 7392 1 8 . 1 1 63 63 VAL N N 63 106.127 106.127 124.008 -17.881 25554 7393 1 8 . 1 1 63 63 VAL C C 63 175.100 175.100 175.507 -0.407 25554 7394 1 8 . 1 1 63 63 VAL CA C 63 61.020 61.020 62.556 -1.536 25554 7395 1 8 . 1 1 63 63 VAL CB C 63 31.154 31.154 32.995 -1.841 25554 7396 1 8 . 1 1 63 63 VAL H H 63 8.113 8.113 8.887 -0.774 25554 7397 1 8 . 1 1 64 64 TRP N N 64 129.302 129.302 129.952 -0.650 25554 7398 1 8 . 1 1 64 64 TRP C C 64 177.152 177.152 175.662 1.490 25554 7399 1 8 . 1 1 64 64 TRP CA C 64 59.264 59.264 55.960 3.304 25554 7400 1 8 . 1 1 64 64 TRP CB C 64 29.397 29.397 29.647 -0.250 25554 7401 1 8 . 1 1 64 64 TRP H H 64 8.970 8.970 9.550 -0.580 25554 7402 1 8 . 1 1 65 65 ASP N N 65 119.607 119.607 124.801 -5.194 25554 7403 1 8 . 1 1 65 65 ASP C C 65 174.514 174.514 175.911 -1.397 25554 7404 1 8 . 1 1 65 65 ASP CA C 65 55.164 55.164 52.706 2.458 25554 7405 1 8 . 1 1 65 65 ASP CB C 65 41.109 41.109 44.214 -3.105 25554 7406 1 8 . 1 1 65 65 ASP H H 65 8.638 8.638 9.259 -0.621 25554 7407 1 8 . 1 1 66 66 THR N N 66 122.463 122.463 115.441 7.022 25554 7408 1 8 . 1 1 66 66 THR C C 66 178.617 178.617 175.328 3.289 25554 7409 1 8 . 1 1 66 66 THR CA C 66 68.048 68.048 61.620 6.428 25554 7410 1 8 . 1 1 66 66 THR CB C 66 71.562 71.562 69.707 1.855 25554 7411 1 8 . 1 1 66 66 THR H H 66 8.293 8.293 8.618 -0.325 25554 7412 1 8 . 1 1 67 67 ALA N N 67 104.865 104.865 126.178 -21.313 25554 7413 1 8 . 1 1 67 67 ALA C C 67 177.738 177.738 177.828 -0.090 25554 7414 1 8 . 1 1 67 67 ALA CA C 67 48.722 48.722 53.627 -4.905 25554 7415 1 8 . 1 1 67 67 ALA CB C 67 14.171 14.171 19.015 -4.844 25554 7416 1 8 . 1 1 67 67 ALA H H 67 8.657 8.657 8.713 -0.056 25554 7417 1 8 . 1 1 68 68 GLY N N 68 115.357 115.357 105.031 10.326 25554 7418 1 8 . 1 1 68 68 GLY C C 68 189.533 189.533 175.825 13.708 25554 7419 1 8 . 1 1 68 68 GLY CA C 68 45.209 45.209 44.809 0.400 25554 7420 1 8 . 1 1 68 68 GLY H H 68 10.969 10.969 8.394 2.575 25554 7421 1 8 . 1 1 69 69 GLN N N 69 110.111 110.111 119.460 -9.349 25554 7422 1 8 . 1 1 69 69 GLN C C 69 176.859 176.859 177.507 -0.648 25554 7423 1 8 . 1 1 69 69 GLN CA C 69 55.750 55.750 58.572 -2.822 25554 7424 1 8 . 1 1 69 69 GLN CB C 69 27.640 27.640 28.411 -0.771 25554 7425 1 8 . 1 1 69 69 GLN H H 69 8.344 8.344 8.806 -0.462 25554 7426 1 8 . 1 1 70 70 GLU N N 70 114.826 114.826 118.530 -3.704 25554 7427 1 8 . 1 1 70 70 GLU C C 70 176.273 176.273 177.825 -1.552 25554 7428 1 8 . 1 1 70 70 GLU CA C 70 57.507 57.507 58.954 -1.447 25554 7429 1 8 . 1 1 70 70 GLU CB C 70 28.811 28.811 29.512 -0.700 25554 7430 1 8 . 1 1 70 70 GLU H H 70 9.651 9.651 8.638 1.013 25554 7431 1 8 . 1 1 71 71 LYS N N 71 116.685 116.685 117.523 -0.838 25554 7432 1 8 . 1 1 71 71 LYS C C 71 175.979 175.979 178.743 -2.764 25554 7433 1 8 . 1 1 71 71 LYS CA C 71 48.722 48.722 58.672 -9.950 25554 7434 1 8 . 1 1 71 71 LYS CB C 71 37.010 37.010 32.485 4.525 25554 7435 1 8 . 1 1 71 71 LYS H H 71 8.712 8.712 7.853 0.859 25554 7436 1 8 . 1 1 72 72 PHE N N 72 114.959 114.959 118.576 -3.617 25554 7437 1 8 . 1 1 72 72 PHE C C 72 175.686 175.686 175.835 -0.149 25554 7438 1 8 . 1 1 72 72 PHE CA C 72 56.336 56.336 59.415 -3.079 25554 7439 1 8 . 1 1 72 72 PHE CB C 72 36.424 36.424 40.294 -3.870 25554 7440 1 8 . 1 1 72 72 PHE H H 72 7.965 7.965 7.833 0.132 25554 7441 1 8 . 1 1 73 73 GLY N N 73 117.084 117.084 104.503 12.581 25554 7442 1 8 . 1 1 73 73 GLY C C 73 168.068 168.068 172.365 -4.297 25554 7443 1 8 . 1 1 73 73 GLY CA C 73 42.281 42.281 44.633 -2.352 25554 7444 1 8 . 1 1 73 73 GLY H H 73 7.609 7.609 8.084 -0.475 25554 7445 1 8 . 1 1 74 74 GLY N N 74 120.537 120.537 105.861 14.676 25554 7446 1 8 . 1 1 74 74 GLY C C 74 174.514 174.514 174.468 0.046 25554 7447 1 8 . 1 1 74 74 GLY CA C 74 44.037 44.037 44.280 -0.243 25554 7448 1 8 . 1 1 74 74 GLY H H 74 9.326 9.326 8.328 0.998 25554 7449 1 8 . 1 1 75 75 LEU N N 75 127.177 127.177 121.133 6.044 25554 7450 1 8 . 1 1 75 75 LEU C C 75 178.617 178.617 177.690 0.927 25554 7451 1 8 . 1 1 75 75 LEU CA C 75 53.407 53.407 54.330 -0.923 25554 7452 1 8 . 1 1 75 75 LEU CB C 75 42.281 42.281 43.047 -0.766 25554 7453 1 8 . 1 1 75 75 LEU H H 75 7.628 7.628 8.759 -1.131 25554 7454 1 8 . 1 1 76 76 ARG N N 76 116.486 116.486 122.957 -6.471 25554 7455 1 8 . 1 1 76 76 ARG C C 76 176.859 176.859 177.131 -0.272 25554 7456 1 8 . 1 1 76 76 ARG CA C 76 59.264 59.264 56.459 2.805 25554 7457 1 8 . 1 1 76 76 ARG CB C 76 31.154 31.154 31.172 -0.018 25554 7458 1 8 . 1 1 76 76 ARG H H 76 7.143 7.143 8.571 -1.428 25554 7459 1 8 . 1 1 77 77 ASP N N 77 129.236 129.236 122.417 6.819 25554 7460 1 8 . 1 1 77 77 ASP C C 77 177.152 177.152 178.555 -1.403 25554 7461 1 8 . 1 1 77 77 ASP CA C 77 52.822 52.822 57.703 -4.880 25554 7462 1 8 . 1 1 77 77 ASP CB C 77 41.695 41.695 40.491 1.204 25554 7463 1 8 . 1 1 77 77 ASP H H 77 8.947 8.947 8.909 0.038 25554 7464 1 8 . 1 1 78 78 GLY N N 78 127.244 127.244 108.364 18.880 25554 7465 1 8 . 1 1 78 78 GLY C C 78 173.928 173.928 175.227 -1.299 25554 7466 1 8 . 1 1 78 78 GLY CA C 78 44.623 44.623 46.952 -2.329 25554 7467 1 8 . 1 1 78 78 GLY H H 78 8.219 8.219 8.557 -0.338 25554 7468 1 8 . 1 1 79 79 TYR N N 79 120.537 120.537 121.558 -1.021 25554 7469 1 8 . 1 1 79 79 TYR C C 79 176.273 176.273 176.730 -0.457 25554 7470 1 8 . 1 1 79 79 TYR CA C 79 58.678 58.678 60.770 -2.092 25554 7471 1 8 . 1 1 79 79 TYR CB C 79 40.524 40.524 38.483 2.041 25554 7472 1 8 . 1 1 79 79 TYR H H 79 8.563 8.563 7.637 0.926 25554 7473 1 8 . 1 1 80 80 TYR N N 80 115.822 115.822 115.092 0.730 25554 7474 1 8 . 1 1 80 80 TYR C C 80 175.979 175.979 176.731 -0.752 25554 7475 1 8 . 1 1 80 80 TYR CA C 80 58.092 58.092 61.004 -2.912 25554 7476 1 8 . 1 1 80 80 TYR CB C 80 38.181 38.181 38.550 -0.369 25554 7477 1 8 . 1 1 80 80 TYR H H 80 7.194 7.194 7.490 -0.296 25554 7478 1 8 . 1 1 81 81 ILE N N 81 120.072 120.072 118.088 1.984 25554 7479 1 8 . 1 1 81 81 ILE C C 81 177.445 177.445 175.823 1.622 25554 7480 1 8 . 1 1 81 81 ILE CA C 81 67.462 67.462 62.762 4.700 25554 7481 1 8 . 1 1 81 81 ILE CB C 81 41.109 41.109 38.136 2.973 25554 7482 1 8 . 1 1 81 81 ILE H H 81 8.837 8.837 7.809 1.028 25554 7483 1 8 . 1 1 82 82 GLN N N 82 109.580 109.580 119.057 -9.477 25554 7484 1 8 . 1 1 82 82 GLN C C 82 177.152 177.152 174.658 2.494 25554 7485 1 8 . 1 1 82 82 GLN CA C 82 56.336 56.336 56.393 -0.057 25554 7486 1 8 . 1 1 82 82 GLN CB C 82 24.126 24.126 26.485 -2.359 25554 7487 1 8 . 1 1 82 82 GLN H H 82 8.493 8.493 8.676 -0.183 25554 7488 1 8 . 1 1 83 83 ALA N N 83 109.713 109.713 121.622 -11.909 25554 7489 1 8 . 1 1 83 83 ALA C C 83 175.979 175.979 176.750 -0.771 25554 7490 1 8 . 1 1 83 83 ALA CA C 83 54.579 54.579 51.533 3.046 25554 7491 1 8 . 1 1 83 83 ALA CB C 83 16.513 16.513 18.886 -2.373 25554 7492 1 8 . 1 1 83 83 ALA H H 83 6.306 6.306 7.998 -1.692 25554 7493 1 8 . 1 1 84 84 GLN N N 84 131.380 131.380 122.955 8.425 25554 7494 1 8 . 1 1 84 84 GLN C C 84 175.686 175.686 176.033 -0.347 25554 7495 1 8 . 1 1 84 84 GLN CA C 84 51.065 51.065 57.915 -6.850 25554 7496 1 8 . 1 1 84 84 GLN CB C 84 32.325 32.325 29.751 2.574 25554 7497 1 8 . 1 1 84 84 GLN H H 84 11.169 11.169 8.752 2.417 25554 7498 1 8 . 1 1 85 85 CYS N N 85 124.322 124.322 111.309 13.013 25554 7499 1 8 . 1 1 85 85 CYS C C 85 173.049 173.049 172.620 0.429 25554 7500 1 8 . 1 1 85 85 CYS CA C 85 57.507 57.507 56.062 1.444 25554 7501 1 8 . 1 1 85 85 CYS CB C 85 35.253 35.253 31.807 3.446 25554 7502 1 8 . 1 1 85 85 CYS H H 85 8.602 8.602 8.126 0.476 25554 7503 1 8 . 1 1 86 86 ALA N N 86 114.295 114.295 122.670 -8.375 25554 7504 1 8 . 1 1 86 86 ALA CA C 86 57.507 57.507 50.895 6.612 25554 7505 1 8 . 1 1 86 86 ALA CB C 86 21.784 21.784 22.715 -0.931 25554 7506 1 8 . 1 1 86 86 ALA H H 86 6.897 6.897 9.274 -2.377 25554 7507 1 8 . 1 1 87 87 ILE N N 87 120.670 120.670 122.197 -1.527 25554 7508 1 8 . 1 1 87 87 ILE C C 87 173.928 173.928 174.867 -0.939 25554 7509 1 8 . 1 1 87 87 ILE CA C 87 61.020 61.020 59.897 1.123 25554 7510 1 8 . 1 1 87 87 ILE CB C 87 39.938 39.938 40.594 -0.656 25554 7511 1 8 . 1 1 87 87 ILE H H 87 8.282 8.282 8.869 -0.587 25554 7512 1 8 . 1 1 88 88 ILE N N 88 120.205 120.205 128.619 -8.414 25554 7513 1 8 . 1 1 88 88 ILE C C 88 173.635 173.635 175.217 -1.582 25554 7514 1 8 . 1 1 88 88 ILE CA C 88 64.534 64.534 60.048 4.486 25554 7515 1 8 . 1 1 88 88 ILE CB C 88 37.596 37.596 40.060 -2.464 25554 7516 1 8 . 1 1 88 88 ILE H H 88 5.528 5.528 9.127 -3.599 25554 7517 1 8 . 1 1 89 89 MET N N 89 119.209 119.209 126.359 -7.150 25554 7518 1 8 . 1 1 89 89 MET C C 89 176.566 176.566 175.255 1.311 25554 7519 1 8 . 1 1 89 89 MET CA C 89 56.921 56.921 52.636 4.285 25554 7520 1 8 . 1 1 89 89 MET CB C 89 34.668 34.668 33.252 1.416 25554 7521 1 8 . 1 1 89 89 MET H H 89 8.164 8.164 8.896 -0.732 25554 7522 1 8 . 1 1 90 90 PHE N N 90 121.134 121.134 119.108 2.026 25554 7523 1 8 . 1 1 90 90 PHE C C 90 175.393 175.393 173.209 2.184 25554 7524 1 8 . 1 1 90 90 PHE CA C 90 60.435 60.435 55.769 4.666 25554 7525 1 8 . 1 1 90 90 PHE CB C 90 38.767 38.767 42.079 -3.312 25554 7526 1 8 . 1 1 90 90 PHE H H 90 9.334 9.334 8.592 0.742 25554 7527 1 8 . 1 1 91 91 ASP N N 91 125.185 125.185 121.798 3.387 25554 7528 1 8 . 1 1 91 91 ASP C C 91 176.566 176.566 177.544 -0.978 25554 7529 1 8 . 1 1 91 91 ASP CA C 91 52.822 52.822 53.284 -0.462 25554 7530 1 8 . 1 1 91 91 ASP CB C 91 39.938 39.938 41.874 -1.936 25554 7531 1 8 . 1 1 91 91 ASP H H 91 9.056 9.056 8.629 0.427 25554 7532 1 8 . 1 1 92 92 VAL N N 92 115.158 115.158 120.924 -5.766 25554 7533 1 8 . 1 1 92 92 VAL C C 92 173.342 173.342 177.703 -4.361 25554 7534 1 8 . 1 1 92 92 VAL CA C 92 64.534 64.534 65.293 -0.759 25554 7535 1 8 . 1 1 92 92 VAL CB C 92 37.596 37.596 31.784 5.812 25554 7536 1 8 . 1 1 92 92 VAL H H 92 7.738 7.738 8.464 -0.726 25554 7537 1 8 . 1 1 93 93 THR N N 93 112.302 112.302 116.162 -3.860 25554 7538 1 8 . 1 1 93 93 THR C C 93 177.152 177.152 174.934 2.218 25554 7539 1 8 . 1 1 93 93 THR CA C 93 64.534 64.534 65.894 -1.360 25554 7540 1 8 . 1 1 93 93 THR CB C 93 72.147 72.147 68.949 3.198 25554 7541 1 8 . 1 1 93 93 THR H H 93 7.269 7.269 8.094 -0.825 25554 7542 1 8 . 1 1 94 94 SER N N 94 122.263 122.263 114.259 8.004 25554 7543 1 8 . 1 1 94 94 SER C C 94 163.965 163.965 175.252 -11.287 25554 7544 1 8 . 1 1 94 94 SER CA C 94 59.849 59.849 55.997 3.852 25554 7545 1 8 . 1 1 94 94 SER CB C 94 62.192 62.192 63.676 -1.484 25554 7546 1 8 . 1 1 94 94 SER H H 94 7.628 7.628 8.034 -0.406 25554 7547 1 8 . 1 1 95 95 ARG N N 95 113.099 113.099 128.589 -15.490 25554 7548 1 8 . 1 1 95 95 ARG C C 95 176.273 176.273 178.023 -1.750 25554 7549 1 8 . 1 1 95 95 ARG CA C 95 53.407 53.407 59.310 -5.904 25554 7550 1 8 . 1 1 95 95 ARG CB C 95 31.154 31.154 30.117 1.037 25554 7551 1 8 . 1 1 95 95 ARG H H 95 8.102 8.102 9.123 -1.021 25554 7552 1 8 . 1 1 96 96 VAL N N 96 124.787 124.787 118.691 6.096 25554 7553 1 8 . 1 1 96 96 VAL C C 96 178.031 178.031 177.497 0.534 25554 7554 1 8 . 1 1 96 96 VAL CA C 96 68.634 68.634 66.085 2.549 25554 7555 1 8 . 1 1 96 96 VAL CB C 96 24.126 24.126 31.532 -7.406 25554 7556 1 8 . 1 1 96 96 VAL H H 96 9.146 9.146 7.807 1.339 25554 7557 1 8 . 1 1 97 97 THR N N 97 111.970 111.970 113.869 -1.899 25554 7558 1 8 . 1 1 97 97 THR C C 97 178.031 178.031 176.341 1.690 25554 7559 1 8 . 1 1 97 97 THR CA C 97 63.949 63.949 65.718 -1.769 25554 7560 1 8 . 1 1 97 97 THR CB C 97 70.390 70.390 68.999 1.391 25554 7561 1 8 . 1 1 97 97 THR H H 97 7.984 7.984 7.749 0.235 25554 7562 1 8 . 1 1 98 98 TYR N N 98 113.232 113.232 122.833 -9.601 25554 7563 1 8 . 1 1 98 98 TYR C C 98 176.273 176.273 177.250 -0.977 25554 7564 1 8 . 1 1 98 98 TYR H H 98 7.605 7.605 7.730 -0.125 25554 7565 1 8 . 1 1 99 99 LYS N N 99 121.998 121.998 118.938 3.060 25554 7566 1 8 . 1 1 99 99 LYS C C 99 174.221 174.221 178.846 -4.625 25554 7567 1 8 . 1 1 99 99 LYS CA C 99 59.264 59.264 59.313 -0.049 25554 7568 1 8 . 1 1 99 99 LYS CB C 99 34.668 34.668 32.624 2.044 25554 7569 1 8 . 1 1 99 99 LYS H H 99 8.129 8.129 7.915 0.214 25554 7570 1 8 . 1 1 100 100 ASN N N 100 111.970 111.970 118.076 -6.106 25554 7571 1 8 . 1 1 100 100 ASN C C 100 175.979 175.979 177.796 -1.817 25554 7572 1 8 . 1 1 100 100 ASN CA C 100 53.407 53.407 55.565 -2.158 25554 7573 1 8 . 1 1 100 100 ASN CB C 100 37.596 37.596 38.320 -0.724 25554 7574 1 8 . 1 1 100 100 ASN H H 100 5.778 5.778 8.051 -2.273 25554 7575 1 8 . 1 1 101 101 VAL N N 101 118.877 118.877 120.824 -1.947 25554 7576 1 8 . 1 1 101 101 VAL C C 101 173.635 173.635 174.820 -1.185 25554 7577 1 8 . 1 1 101 101 VAL CA C 101 62.777 62.777 68.667 -5.890 25554 7578 1 8 . 1 1 101 101 VAL CB C 101 27.054 27.054 29.364 -2.310 25554 7579 1 8 . 1 1 101 101 VAL H H 101 7.370 7.370 7.910 -0.540 25554 7580 1 8 . 1 1 102 102 PRO C C 102 176.566 176.566 178.771 -2.205 25554 7581 1 8 . 1 1 102 102 PRO CA C 102 62.500 62.500 66.423 -3.923 25554 7582 1 8 . 1 1 102 102 PRO CB C 102 30.853 30.853 31.071 -0.218 25554 7583 1 8 . 1 1 103 103 ASN N N 103 122.728 122.728 116.894 5.834 25554 7584 1 8 . 1 1 103 103 ASN C C 103 175.100 175.100 177.507 -2.407 25554 7585 1 8 . 1 1 103 103 ASN CA C 103 54.579 54.579 55.757 -1.178 25554 7586 1 8 . 1 1 103 103 ASN CB C 103 38.767 38.767 37.700 1.067 25554 7587 1 8 . 1 1 103 103 ASN H H 103 7.879 7.879 8.231 -0.352 25554 7588 1 8 . 1 1 104 104 TRP N N 104 132.158 132.158 121.143 11.015 25554 7589 1 8 . 1 1 104 104 TRP C C 104 176.273 176.273 178.988 -2.715 25554 7590 1 8 . 1 1 104 104 TRP CA C 104 60.435 60.435 61.313 -0.878 25554 7591 1 8 . 1 1 104 104 TRP CB C 104 29.983 29.983 29.227 0.756 25554 7592 1 8 . 1 1 104 104 TRP H H 104 9.541 9.541 7.854 1.687 25554 7593 1 8 . 1 1 105 105 HIS N N 105 120.869 120.869 118.923 1.946 25554 7594 1 8 . 1 1 105 105 HIS C C 105 177.738 177.738 177.478 0.260 25554 7595 1 8 . 1 1 105 105 HIS H H 105 6.971 6.971 8.700 -1.729 25554 7596 1 8 . 1 1 106 106 ARG N N 106 126.314 126.314 119.210 7.104 25554 7597 1 8 . 1 1 106 106 ARG C C 106 176.566 176.566 178.470 -1.904 25554 7598 1 8 . 1 1 106 106 ARG CA C 106 62.777 62.777 59.845 2.932 25554 7599 1 8 . 1 1 106 106 ARG CB C 106 29.397 29.397 30.049 -0.652 25554 7600 1 8 . 1 1 106 106 ARG H H 106 7.507 7.507 8.537 -1.030 25554 7601 1 8 . 1 1 107 107 ASP N N 107 119.076 119.076 120.208 -1.132 25554 7602 1 8 . 1 1 107 107 ASP C C 107 176.566 176.566 178.623 -2.057 25554 7603 1 8 . 1 1 107 107 ASP CA C 107 55.164 55.164 57.244 -2.080 25554 7604 1 8 . 1 1 107 107 ASP CB C 107 41.695 41.695 40.309 1.387 25554 7605 1 8 . 1 1 107 107 ASP H H 107 9.076 9.076 8.016 1.060 25554 7606 1 8 . 1 1 108 108 LEU N N 108 113.299 113.299 121.526 -8.227 25554 7607 1 8 . 1 1 108 108 LEU C C 108 176.273 176.273 177.909 -1.636 25554 7608 1 8 . 1 1 108 108 LEU CA C 108 59.264 59.264 57.670 1.594 25554 7609 1 8 . 1 1 108 108 LEU CB C 108 48.722 48.722 41.870 6.852 25554 7610 1 8 . 1 1 108 108 LEU H H 108 6.725 6.725 8.098 -1.373 25554 7611 1 8 . 1 1 109 109 VAL N N 109 121.267 121.267 119.197 2.070 25554 7612 1 8 . 1 1 109 109 VAL C C 109 175.393 175.393 178.177 -2.784 25554 7613 1 8 . 1 1 109 109 VAL CA C 109 63.949 63.949 65.915 -1.966 25554 7614 1 8 . 1 1 109 109 VAL CB C 109 32.911 32.911 31.414 1.497 25554 7615 1 8 . 1 1 109 109 VAL H H 109 8.763 8.763 8.144 0.619 25554 7616 1 8 . 1 1 110 110 ARG N N 110 112.900 112.900 119.372 -6.472 25554 7617 1 8 . 1 1 110 110 ARG C C 110 176.273 176.273 178.107 -1.834 25554 7618 1 8 . 1 1 110 110 ARG CA C 110 57.507 57.507 59.007 -1.500 25554 7619 1 8 . 1 1 110 110 ARG CB C 110 30.568 30.568 30.350 0.218 25554 7620 1 8 . 1 1 110 110 ARG H H 110 7.241 7.241 7.631 -0.390 25554 7621 1 8 . 1 1 111 111 VAL N N 111 115.556 115.556 117.177 -1.621 25554 7622 1 8 . 1 1 111 111 VAL C C 111 177.445 177.445 176.593 0.852 25554 7623 1 8 . 1 1 111 111 VAL CA C 111 59.849 59.849 65.218 -5.369 25554 7624 1 8 . 1 1 111 111 VAL CB C 111 32.911 32.911 32.553 0.358 25554 7625 1 8 . 1 1 111 111 VAL H H 111 7.566 7.566 7.735 -0.169 25554 7626 1 8 . 1 1 112 112 CYS N N 112 114.295 114.295 118.627 -4.332 25554 7627 1 8 . 1 1 112 112 CYS C C 112 169.826 169.826 172.789 -2.963 25554 7628 1 8 . 1 1 112 112 CYS CA C 112 57.507 57.507 57.928 -0.421 25554 7629 1 8 . 1 1 112 112 CYS CB C 112 35.839 35.839 30.878 4.962 25554 7630 1 8 . 1 1 112 112 CYS H H 112 7.425 7.425 8.356 -0.931 25554 7631 1 8 . 1 1 113 113 GLU N N 113 116.486 116.486 124.774 -8.288 25554 7632 1 8 . 1 1 113 113 GLU C C 113 176.566 176.566 175.935 0.631 25554 7633 1 8 . 1 1 113 113 GLU CA C 113 69.219 69.219 55.811 13.408 25554 7634 1 8 . 1 1 113 113 GLU CB C 113 30.568 30.568 31.869 -1.300 25554 7635 1 8 . 1 1 113 113 GLU H H 113 7.241 7.241 8.680 -1.439 25554 7636 1 8 . 1 1 114 114 ASN N N 114 129.302 129.302 118.887 10.415 25554 7637 1 8 . 1 1 114 114 ASN C C 114 175.100 175.100 174.727 0.373 25554 7638 1 8 . 1 1 114 114 ASN CA C 114 52.236 52.236 53.798 -1.562 25554 7639 1 8 . 1 1 114 114 ASN CB C 114 39.938 39.938 37.295 2.643 25554 7640 1 8 . 1 1 114 114 ASN H H 114 8.919 8.919 8.820 0.099 25554 7641 1 8 . 1 1 115 115 ILE N N 115 110.443 110.443 113.614 -3.171 25554 7642 1 8 . 1 1 115 115 ILE C C 115 175.100 175.100 174.875 0.225 25554 7643 1 8 . 1 1 115 115 ILE CA C 115 65.705 65.705 58.931 6.774 25554 7644 1 8 . 1 1 115 115 ILE CB C 115 39.353 39.353 38.598 0.755 25554 7645 1 8 . 1 1 115 115 ILE H H 115 9.287 9.287 7.555 1.732 25554 7646 1 8 . 1 1 116 116 PRO C C 116 175.979 175.979 175.521 0.458 25554 7647 1 8 . 1 1 116 116 PRO CA C 116 63.086 63.086 62.870 0.215 25554 7648 1 8 . 1 1 116 116 PRO CB C 116 29.681 29.681 32.680 -2.999 25554 7649 1 8 . 1 1 117 117 ILE N N 117 123.591 123.591 125.224 -1.633 25554 7650 1 8 . 1 1 117 117 ILE C C 117 174.807 174.807 175.080 -0.273 25554 7651 1 8 . 1 1 117 117 ILE CA C 117 66.291 66.291 60.160 6.131 25554 7652 1 8 . 1 1 117 117 ILE CB C 117 38.767 38.767 41.755 -2.988 25554 7653 1 8 . 1 1 117 117 ILE H H 117 7.781 7.781 8.776 -0.995 25554 7654 1 8 . 1 1 118 118 VAL N N 118 119.009 119.009 126.342 -7.333 25554 7655 1 8 . 1 1 118 118 VAL C C 118 178.324 178.324 173.978 4.346 25554 7656 1 8 . 1 1 118 118 VAL CA C 118 62.777 62.777 60.602 2.175 25554 7657 1 8 . 1 1 118 118 VAL CB C 118 31.154 31.154 34.839 -3.685 25554 7658 1 8 . 1 1 118 118 VAL H H 118 8.767 8.767 8.906 -0.139 25554 7659 1 8 . 1 1 119 119 LEU N N 119 119.408 119.408 129.223 -9.815 25554 7660 1 8 . 1 1 119 119 LEU C C 119 178.031 178.031 174.700 3.331 25554 7661 1 8 . 1 1 119 119 LEU CA C 119 42.866 42.866 53.334 -10.468 25554 7662 1 8 . 1 1 119 119 LEU CB C 119 38.767 38.767 44.975 -6.208 25554 7663 1 8 . 1 1 119 119 LEU H H 119 7.734 7.734 8.879 -1.145 25554 7664 1 8 . 1 1 120 120 CYS N N 120 113.232 113.232 125.539 -12.307 25554 7665 1 8 . 1 1 120 120 CYS C C 120 178.031 178.031 173.477 4.554 25554 7666 1 8 . 1 1 120 120 CYS H H 120 8.317 8.317 9.109 -0.792 25554 7667 1 8 . 1 1 121 121 GLY N N 121 117.349 117.349 112.106 5.243 25554 7668 1 8 . 1 1 121 121 GLY C C 121 176.851 176.851 172.404 4.447 25554 7669 1 8 . 1 1 121 121 GLY CA C 121 41.109 41.109 43.568 -2.459 25554 7670 1 8 . 1 1 121 121 GLY H H 121 7.515 7.515 8.785 -1.270 25554 7671 1 8 . 1 1 122 122 ASN N N 122 125.318 125.318 124.551 0.767 25554 7672 1 8 . 1 1 122 122 ASN C C 122 175.686 175.686 175.072 0.614 25554 7673 1 8 . 1 1 122 122 ASN CA C 122 50.479 50.479 50.696 -0.217 25554 7674 1 8 . 1 1 122 122 ASN CB C 122 39.353 39.353 41.897 -2.544 25554 7675 1 8 . 1 1 122 122 ASN H H 122 9.162 9.162 8.331 0.831 25554 7676 1 8 . 1 1 123 123 LYS N N 123 124.920 124.920 116.358 8.562 25554 7677 1 8 . 1 1 123 123 LYS C C 123 176.566 176.566 177.122 -0.556 25554 7678 1 8 . 1 1 123 123 LYS CA C 123 70.976 70.976 57.363 13.613 25554 7679 1 8 . 1 1 123 123 LYS CB C 123 35.253 35.253 30.306 4.947 25554 7680 1 8 . 1 1 123 123 LYS H H 123 8.086 8.086 8.928 -0.842 25554 7681 1 8 . 1 1 124 124 VAL N N 124 125.517 125.517 113.201 12.316 25554 7682 1 8 . 1 1 124 124 VAL C C 124 177.738 177.738 176.279 1.459 25554 7683 1 8 . 1 1 124 124 VAL CA C 124 62.777 62.777 64.545 -1.768 25554 7684 1 8 . 1 1 124 124 VAL CB C 124 33.496 33.496 31.099 2.397 25554 7685 1 8 . 1 1 124 124 VAL H H 124 9.483 9.483 7.440 2.043 25554 7686 1 8 . 1 1 125 125 ASP N N 125 119.607 119.607 120.455 -0.848 25554 7687 1 8 . 1 1 125 125 ASP C C 125 176.566 176.566 177.112 -0.546 25554 7688 1 8 . 1 1 125 125 ASP CA C 125 55.750 55.750 56.562 -0.812 25554 7689 1 8 . 1 1 125 125 ASP CB C 125 40.524 40.524 40.637 -0.113 25554 7690 1 8 . 1 1 125 125 ASP H H 125 7.875 7.875 7.814 0.062 25554 7691 1 8 . 1 1 126 126 ILE N N 126 116.088 116.088 120.500 -4.412 25554 7692 1 8 . 1 1 126 126 ILE C C 126 177.152 177.152 177.060 0.092 25554 7693 1 8 . 1 1 126 126 ILE CA C 126 66.291 66.291 61.406 4.885 25554 7694 1 8 . 1 1 126 126 ILE CB C 126 39.353 39.353 38.932 0.421 25554 7695 1 8 . 1 1 126 126 ILE H H 126 7.511 7.511 7.314 0.197 25554 7696 1 8 . 1 1 127 127 LYS N N 127 117.681 117.681 122.618 -4.937 25554 7697 1 8 . 1 1 127 127 LYS C C 127 177.152 177.152 176.864 0.288 25554 7698 1 8 . 1 1 127 127 LYS CA C 127 57.507 57.507 58.022 -0.515 25554 7699 1 8 . 1 1 127 127 LYS CB C 127 31.154 31.154 32.464 -1.310 25554 7700 1 8 . 1 1 127 127 LYS H H 127 8.059 8.059 8.266 -0.207 25554 7701 1 8 . 1 1 128 128 ASP N N 128 118.279 118.279 118.429 -0.150 25554 7702 1 8 . 1 1 128 128 ASP C C 128 176.566 176.566 175.145 1.421 25554 7703 1 8 . 1 1 128 128 ASP CA C 128 53.407 53.407 53.089 0.318 25554 7704 1 8 . 1 1 128 128 ASP CB C 128 40.524 40.524 41.310 -0.786 25554 7705 1 8 . 1 1 128 128 ASP H H 128 7.241 7.241 8.038 -0.797 25554 7706 1 8 . 1 1 129 129 ARG N N 129 118.943 118.943 125.411 -6.468 25554 7707 1 8 . 1 1 129 129 ARG C C 129 177.738 177.738 176.172 1.566 25554 7708 1 8 . 1 1 129 129 ARG CA C 129 45.794 45.794 55.566 -9.772 25554 7709 1 8 . 1 1 129 129 ARG CB C 129 31.154 31.154 30.898 0.256 25554 7710 1 8 . 1 1 129 129 ARG H H 129 8.423 8.423 8.648 -0.225 25554 7711 1 8 . 1 1 130 130 LYS N N 130 109.381 109.381 124.029 -14.648 25554 7712 1 8 . 1 1 130 130 LYS C C 130 176.566 176.566 176.659 -0.093 25554 7713 1 8 . 1 1 130 130 LYS CA C 130 55.164 55.164 57.728 -2.564 25554 7714 1 8 . 1 1 130 130 LYS CB C 130 36.424 36.424 32.897 3.527 25554 7715 1 8 . 1 1 130 130 LYS H H 130 7.296 7.296 8.690 -1.394 25554 7716 1 8 . 1 1 131 131 VAL N N 131 110.377 110.377 120.514 -10.137 25554 7717 1 8 . 1 1 131 131 VAL C C 131 178.617 178.617 174.136 4.481 25554 7718 1 8 . 1 1 131 131 VAL CA C 131 65.705 65.705 61.978 3.727 25554 7719 1 8 . 1 1 131 131 VAL CB C 131 35.839 35.839 32.736 3.103 25554 7720 1 8 . 1 1 131 131 VAL H H 131 9.283 9.283 7.780 1.503 25554 7721 1 8 . 1 1 132 132 LYS N N 132 110.310 110.310 125.220 -14.910 25554 7722 1 8 . 1 1 132 132 LYS C C 132 176.273 176.273 176.782 -0.509 25554 7723 1 8 . 1 1 132 132 LYS CA C 132 59.849 59.849 54.094 5.755 25554 7724 1 8 . 1 1 132 132 LYS CB C 132 35.253 35.253 36.027 -0.774 25554 7725 1 8 . 1 1 132 132 LYS H H 132 9.709 9.709 8.618 1.091 25554 7726 1 8 . 1 1 133 133 ALA N N 133 134.349 134.349 124.233 10.116 25554 7727 1 8 . 1 1 133 133 ALA CA C 133 51.065 51.065 55.177 -4.112 25554 7728 1 8 . 1 1 133 133 ALA CB C 133 12.999 12.999 18.648 -5.649 25554 7729 1 8 . 1 1 133 133 ALA H H 133 6.322 6.322 8.935 -2.613 25554 7730 1 8 . 1 1 134 134 LYS N N 134 117.615 117.615 115.833 1.782 25554 7731 1 8 . 1 1 134 134 LYS C C 134 176.859 176.859 177.334 -0.475 25554 7732 1 8 . 1 1 134 134 LYS CA C 134 55.750 55.750 58.610 -2.860 25554 7733 1 8 . 1 1 134 134 LYS CB C 134 54.579 54.579 32.095 22.484 25554 7734 1 8 . 1 1 134 134 LYS H H 134 6.549 6.549 8.514 -1.965 25554 7735 1 8 . 1 1 135 135 SER N N 135 109.314 109.314 112.020 -2.706 25554 7736 1 8 . 1 1 135 135 SER C C 135 173.635 173.635 174.365 -0.730 25554 7737 1 8 . 1 1 135 135 SER CA C 135 56.336 56.336 58.418 -2.082 25554 7738 1 8 . 1 1 135 135 SER CB C 135 63.949 63.949 63.561 0.388 25554 7739 1 8 . 1 1 135 135 SER H H 135 7.840 7.840 7.668 0.172 25554 7740 1 8 . 1 1 136 136 ILE N N 136 124.123 124.123 124.324 -0.201 25554 7741 1 8 . 1 1 136 136 ILE C C 136 175.100 175.100 175.843 -0.743 25554 7742 1 8 . 1 1 136 136 ILE CA C 136 68.634 68.634 61.106 7.528 25554 7743 1 8 . 1 1 136 136 ILE CB C 136 43.452 43.452 36.144 7.308 25554 7744 1 8 . 1 1 136 136 ILE H H 136 8.098 8.098 7.123 0.975 25554 7745 1 8 . 1 1 137 137 VAL N N 137 113.232 113.232 122.526 -9.294 25554 7746 1 8 . 1 1 137 137 VAL C C 137 176.859 176.859 176.362 0.497 25554 7747 1 8 . 1 1 137 137 VAL CA C 137 64.534 64.534 62.464 2.070 25554 7748 1 8 . 1 1 137 137 VAL CB C 137 34.082 34.082 31.761 2.321 25554 7749 1 8 . 1 1 137 137 VAL H H 137 7.711 7.711 7.841 -0.130 25554 7750 1 8 . 1 1 138 138 PHE N N 138 118.279 118.279 122.764 -4.485 25554 7751 1 8 . 1 1 138 138 PHE C C 138 175.393 175.393 176.259 -0.866 25554 7752 1 8 . 1 1 138 138 PHE CA C 138 58.092 58.092 61.886 -3.795 25554 7753 1 8 . 1 1 138 138 PHE CB C 138 39.353 39.353 39.286 0.067 25554 7754 1 8 . 1 1 138 138 PHE H H 138 8.317 8.317 8.296 0.021 25554 7755 1 8 . 1 1 139 139 HIS N N 139 107.654 107.654 115.434 -7.780 25554 7756 1 8 . 1 1 139 139 HIS C C 139 175.979 175.979 177.131 -1.152 25554 7757 1 8 . 1 1 139 139 HIS CA C 139 53.993 53.993 59.038 -5.045 25554 7758 1 8 . 1 1 139 139 HIS CB C 139 28.811 28.811 29.043 -0.232 25554 7759 1 8 . 1 1 139 139 HIS H H 139 8.016 8.016 8.687 -0.671 25554 7760 1 8 . 1 1 140 140 ARG N N 140 117.084 117.084 119.166 -2.082 25554 7761 1 8 . 1 1 140 140 ARG C C 140 176.859 176.859 178.129 -1.270 25554 7762 1 8 . 1 1 140 140 ARG CA C 140 57.507 57.507 58.708 -1.200 25554 7763 1 8 . 1 1 140 140 ARG CB C 140 31.739 31.739 29.744 1.995 25554 7764 1 8 . 1 1 140 140 ARG H H 140 8.763 8.763 6.738 2.025 25554 7765 1 8 . 1 1 141 141 LYS N N 141 115.623 115.623 117.864 -2.241 25554 7766 1 8 . 1 1 141 141 LYS C C 141 173.635 173.635 178.163 -4.528 25554 7767 1 8 . 1 1 141 141 LYS CA C 141 58.092 58.092 58.404 -0.312 25554 7768 1 8 . 1 1 141 141 LYS CB C 141 33.496 33.496 32.314 1.182 25554 7769 1 8 . 1 1 141 141 LYS H H 141 7.449 7.449 7.212 0.237 25554 7770 1 8 . 1 1 142 142 LYS N N 142 114.162 114.162 114.999 -0.837 25554 7771 1 8 . 1 1 142 142 LYS C C 142 175.979 175.979 176.536 -0.557 25554 7772 1 8 . 1 1 142 142 LYS CA C 142 51.065 51.065 54.880 -3.815 25554 7773 1 8 . 1 1 142 142 LYS CB C 142 34.668 34.668 32.141 2.527 25554 7774 1 8 . 1 1 142 142 LYS H H 142 8.982 8.982 7.250 1.732 25554 7775 1 8 . 1 1 143 143 ASN N N 143 112.103 112.103 114.857 -2.754 25554 7776 1 8 . 1 1 143 143 ASN C C 143 175.100 175.100 174.736 0.364 25554 7777 1 8 . 1 1 143 143 ASN CA C 143 53.407 53.407 53.826 -0.419 25554 7778 1 8 . 1 1 143 143 ASN CB C 143 39.938 39.938 36.900 3.038 25554 7779 1 8 . 1 1 143 143 ASN H H 143 7.402 7.402 8.340 -0.938 25554 7780 1 8 . 1 1 144 144 LEU N N 144 118.810 118.810 118.689 0.121 25554 7781 1 8 . 1 1 144 144 LEU CA C 144 53.993 53.993 55.364 -1.371 25554 7782 1 8 . 1 1 144 144 LEU CB C 144 42.866 42.866 42.609 0.257 25554 7783 1 8 . 1 1 144 144 LEU H H 144 7.793 7.793 7.390 0.403 25554 7784 1 8 . 1 1 145 145 GLN N N 145 119.607 119.607 121.637 -2.030 25554 7785 1 8 . 1 1 145 145 GLN C C 145 176.859 176.859 173.952 2.907 25554 7786 1 8 . 1 1 145 145 GLN CA C 145 55.164 55.164 53.945 1.219 25554 7787 1 8 . 1 1 145 145 GLN CB C 145 29.983 29.983 29.811 0.172 25554 7788 1 8 . 1 1 145 145 GLN H H 145 7.014 7.014 7.760 -0.746 25554 7789 1 8 . 1 1 146 146 TYR N N 146 119.275 119.275 127.594 -8.319 25554 7790 1 8 . 1 1 146 146 TYR C C 146 174.807 174.807 174.359 0.448 25554 7791 1 8 . 1 1 146 146 TYR CA C 146 62.777 62.777 56.068 6.709 25554 7792 1 8 . 1 1 146 146 TYR CB C 146 41.109 41.109 40.466 0.643 25554 7793 1 8 . 1 1 146 146 TYR H H 146 9.350 9.350 8.194 1.156 25554 7794 1 8 . 1 1 147 147 TYR N N 147 123.658 123.658 125.733 -2.075 25554 7795 1 8 . 1 1 147 147 TYR C C 147 177.738 177.738 173.900 3.838 25554 7796 1 8 . 1 1 147 147 TYR CA C 147 58.092 58.092 56.159 1.933 25554 7797 1 8 . 1 1 147 147 TYR CB C 147 39.938 39.938 42.091 -2.153 25554 7798 1 8 . 1 1 147 147 TYR H H 147 8.340 8.340 8.529 -0.189 25554 7799 1 8 . 1 1 148 148 ASP N N 148 121.267 121.267 122.819 -1.552 25554 7800 1 8 . 1 1 148 148 ASP C C 148 176.859 176.859 175.036 1.823 25554 7801 1 8 . 1 1 148 148 ASP CA C 148 54.579 54.579 54.832 -0.253 25554 7802 1 8 . 1 1 148 148 ASP CB C 148 41.109 41.109 41.626 -0.517 25554 7803 1 8 . 1 1 148 148 ASP H H 148 8.911 8.911 8.386 0.525 25554 7804 1 8 . 1 1 149 149 ILE N N 149 119.607 119.607 123.774 -4.167 25554 7805 1 8 . 1 1 149 149 ILE C C 149 174.807 174.807 174.634 0.173 25554 7806 1 8 . 1 1 149 149 ILE CA C 149 61.020 61.020 60.201 0.819 25554 7807 1 8 . 1 1 149 149 ILE CB C 149 39.353 39.353 42.790 -3.437 25554 7808 1 8 . 1 1 149 149 ILE H H 149 8.712 8.712 8.810 -0.098 25554 7809 1 8 . 1 1 150 150 SER N N 150 117.349 117.349 121.240 -3.891 25554 7810 1 8 . 1 1 150 150 SER C C 150 175.686 175.686 173.982 1.704 25554 7811 1 8 . 1 1 150 150 SER CA C 150 60.435 60.435 56.827 3.608 25554 7812 1 8 . 1 1 150 150 SER CB C 150 62.192 62.192 64.868 -2.676 25554 7813 1 8 . 1 1 150 150 SER H H 150 8.454 8.454 9.063 -0.609 25554 7814 1 8 . 1 1 151 151 ALA N N 151 131.162 131.162 130.440 0.722 25554 7815 1 8 . 1 1 151 151 ALA C C 151 160.742 160.742 178.695 -17.953 25554 7816 1 8 . 1 1 151 151 ALA CA C 151 53.993 53.993 55.522 -1.529 25554 7817 1 8 . 1 1 151 151 ALA CB C 151 22.369 22.369 18.857 3.512 25554 7818 1 8 . 1 1 151 151 ALA H H 151 10.640 10.640 9.022 1.618 25554 7819 1 8 . 1 1 152 152 LYS N N 152 121.400 121.400 117.424 3.976 25554 7820 1 8 . 1 1 152 152 LYS C C 152 174.221 174.221 178.859 -4.638 25554 7821 1 8 . 1 1 152 152 LYS CA C 152 59.849 59.849 59.577 0.272 25554 7822 1 8 . 1 1 152 152 LYS CB C 152 34.668 34.668 32.160 2.508 25554 7823 1 8 . 1 1 152 152 LYS H H 152 9.099 9.099 8.499 0.600 25554 7824 1 8 . 1 1 153 153 SER N N 153 115.212 115.212 112.302 2.910 25554 7825 1 8 . 1 1 153 153 SER C C 153 177.152 177.152 174.059 3.093 25554 7826 1 8 . 1 1 153 153 SER CA C 153 62.192 62.192 59.340 2.852 25554 7827 1 8 . 1 1 153 153 SER CB C 153 66.291 66.291 63.479 2.812 25554 7828 1 8 . 1 1 153 153 SER H H 153 8.935 8.935 7.926 1.009 25554 7829 1 8 . 1 1 154 154 ASN N N 154 119.341 119.341 116.547 2.794 25554 7830 1 8 . 1 1 154 154 ASN C C 154 175.979 175.979 173.746 2.233 25554 7831 1 8 . 1 1 154 154 ASN CA C 154 49.894 49.894 54.623 -4.729 25554 7832 1 8 . 1 1 154 154 ASN CB C 154 39.353 39.353 36.852 2.502 25554 7833 1 8 . 1 1 154 154 ASN H H 154 7.488 7.488 7.900 -0.412 25554 7834 1 8 . 1 1 155 155 TYR N N 155 113.498 113.498 122.400 -8.902 25554 7835 1 8 . 1 1 155 155 TYR C C 155 173.928 173.928 175.059 -1.131 25554 7836 1 8 . 1 1 155 155 TYR CA C 155 56.336 56.336 58.997 -2.661 25554 7837 1 8 . 1 1 155 155 TYR CB C 155 37.596 37.596 39.333 -1.737 25554 7838 1 8 . 1 1 155 155 TYR H H 155 6.486 6.486 8.159 -1.673 25554 7839 1 8 . 1 1 156 156 ASN N N 156 122.396 122.396 123.578 -1.182 25554 7840 1 8 . 1 1 156 156 ASN C C 156 175.979 175.979 174.901 1.078 25554 7841 1 8 . 1 1 156 156 ASN CA C 156 51.651 51.651 53.886 -2.236 25554 7842 1 8 . 1 1 156 156 ASN CB C 156 38.767 38.767 36.562 2.205 25554 7843 1 8 . 1 1 156 156 ASN H H 156 8.352 8.352 8.875 -0.523 25554 7844 1 8 . 1 1 157 157 PHE N N 157 123.459 123.459 118.619 4.840 25554 7845 1 8 . 1 1 157 157 PHE C C 157 174.221 174.221 176.665 -2.444 25554 7846 1 8 . 1 1 157 157 PHE CA C 157 57.507 57.507 61.332 -3.825 25554 7847 1 8 . 1 1 157 157 PHE CB C 157 39.353 39.353 39.581 -0.229 25554 7848 1 8 . 1 1 157 157 PHE H H 157 7.429 7.429 8.128 -0.699 25554 7849 1 8 . 1 1 158 158 GLU N N 158 112.568 112.568 118.244 -5.676 25554 7850 1 8 . 1 1 158 158 GLU C C 158 176.566 176.566 178.090 -1.524 25554 7851 1 8 . 1 1 158 158 GLU CA C 158 72.147 72.147 59.191 12.956 25554 7852 1 8 . 1 1 158 158 GLU CB C 158 27.640 27.640 28.638 -0.998 25554 7853 1 8 . 1 1 158 158 GLU H H 158 7.495 7.495 9.006 -1.511 25554 7854 1 8 . 1 1 159 159 LYS N N 159 113.232 113.232 119.573 -6.341 25554 7855 1 8 . 1 1 159 159 LYS C C 159 176.566 176.566 175.689 0.877 25554 7856 1 8 . 1 1 159 159 LYS CA C 159 53.993 53.993 60.504 -6.511 25554 7857 1 8 . 1 1 159 159 LYS CB C 159 33.496 33.496 29.746 3.750 25554 7858 1 8 . 1 1 159 159 LYS H H 159 6.862 6.862 7.332 -0.470 25554 7859 1 8 . 1 1 160 160 PRO C C 160 176.273 176.273 178.415 -2.142 25554 7860 1 8 . 1 1 160 160 PRO CA C 160 64.258 64.258 66.127 -1.869 25554 7861 1 8 . 1 1 160 160 PRO CB C 160 32.318 32.318 31.088 1.230 25554 7862 1 8 . 1 1 161 161 PHE N N 161 120.271 120.271 115.024 5.247 25554 7863 1 8 . 1 1 161 161 PHE C C 161 175.100 175.100 177.783 -2.683 25554 7864 1 8 . 1 1 161 161 PHE CA C 161 56.336 56.336 61.387 -5.051 25554 7865 1 8 . 1 1 161 161 PHE CB C 161 39.353 39.353 37.988 1.365 25554 7866 1 8 . 1 1 161 161 PHE H H 161 8.074 8.074 7.022 1.052 25554 7867 1 8 . 1 1 162 162 LEU N N 162 110.177 110.177 120.725 -10.548 25554 7868 1 8 . 1 1 162 162 LEU C C 162 176.273 176.273 178.013 -1.740 25554 7869 1 8 . 1 1 162 162 LEU CA C 162 55.750 55.750 58.105 -2.355 25554 7870 1 8 . 1 1 162 162 LEU CB C 162 44.037 44.037 41.209 2.828 25554 7871 1 8 . 1 1 162 162 LEU H H 162 7.527 7.527 8.236 -0.709 25554 7872 1 8 . 1 1 163 163 TRP N N 163 123.525 123.525 121.100 2.425 25554 7873 1 8 . 1 1 163 163 TRP C C 163 177.152 177.152 178.113 -0.961 25554 7874 1 8 . 1 1 163 163 TRP CA C 163 61.606 61.606 62.382 -0.776 25554 7875 1 8 . 1 1 163 163 TRP CB C 163 28.811 28.811 29.651 -0.840 25554 7876 1 8 . 1 1 163 163 TRP H H 163 7.476 7.476 8.011 -0.535 25554 7877 1 8 . 1 1 164 164 LEU N N 164 119.740 119.740 118.988 0.752 25554 7878 1 8 . 1 1 164 164 LEU C C 164 175.686 175.686 179.126 -3.440 25554 7879 1 8 . 1 1 164 164 LEU CA C 164 61.020 61.020 57.904 3.116 25554 7880 1 8 . 1 1 164 164 LEU CB C 164 45.794 45.794 41.473 4.321 25554 7881 1 8 . 1 1 164 164 LEU H H 164 9.412 9.412 8.135 1.277 25554 7882 1 8 . 1 1 165 165 ALA N N 165 118.013 118.013 121.724 -3.711 25554 7883 1 8 . 1 1 165 165 ALA C C 165 165.723 165.723 179.608 -13.885 25554 7884 1 8 . 1 1 165 165 ALA CA C 165 52.236 52.236 55.347 -3.111 25554 7885 1 8 . 1 1 165 165 ALA CB C 165 21.784 21.784 18.288 3.496 25554 7886 1 8 . 1 1 165 165 ALA H H 165 7.707 7.707 8.685 -0.978 25554 7887 1 8 . 1 1 166 166 ARG N N 166 122.994 122.994 118.124 4.870 25554 7888 1 8 . 1 1 166 166 ARG C C 166 175.979 175.979 178.940 -2.961 25554 7889 1 8 . 1 1 166 166 ARG CA C 166 49.308 49.308 59.331 -10.023 25554 7890 1 8 . 1 1 166 166 ARG CB C 166 29.397 29.397 30.076 -0.679 25554 7891 1 8 . 1 1 166 166 ARG H H 166 8.692 8.692 8.197 0.495 25554 7892 1 8 . 1 1 167 167 LYS N N 167 112.568 112.568 119.124 -6.556 25554 7893 1 8 . 1 1 167 167 LYS C C 167 176.273 176.273 179.083 -2.810 25554 7894 1 8 . 1 1 167 167 LYS CA C 167 58.092 58.092 58.411 -0.319 25554 7895 1 8 . 1 1 167 167 LYS CB C 167 34.668 34.668 31.599 3.069 25554 7896 1 8 . 1 1 167 167 LYS H H 167 6.819 6.819 7.439 -0.620 25554 7897 1 8 . 1 1 168 168 LEU N N 168 114.959 114.959 119.006 -4.047 25554 7898 1 8 . 1 1 168 168 LEU C C 168 177.738 177.738 179.039 -1.301 25554 7899 1 8 . 1 1 168 168 LEU CA C 168 56.921 56.921 57.227 -0.306 25554 7900 1 8 . 1 1 168 168 LEU CB C 168 41.695 41.695 41.493 0.202 25554 7901 1 8 . 1 1 168 168 LEU H H 168 7.269 7.269 7.823 -0.554 25554 7902 1 8 . 1 1 169 169 ILE N N 169 124.986 124.986 117.327 7.659 25554 7903 1 8 . 1 1 169 169 ILE C C 169 171.877 171.877 177.214 -5.337 25554 7904 1 8 . 1 1 169 169 ILE CA C 169 68.048 68.048 63.187 4.861 25554 7905 1 8 . 1 1 169 169 ILE CB C 169 39.353 39.353 38.524 0.829 25554 7906 1 8 . 1 1 169 169 ILE H H 169 8.915 8.915 8.203 0.712 25554 7907 1 8 . 1 1 170 170 GLY N N 170 113.099 113.099 106.307 6.792 25554 7908 1 8 . 1 1 170 170 GLY C C 170 162.496 162.496 173.865 -11.369 25554 7909 1 8 . 1 1 170 170 GLY CA C 170 44.037 44.037 45.208 -1.171 25554 7910 1 8 . 1 1 170 170 GLY H H 170 6.686 6.686 8.077 -1.391 25554 7911 1 8 . 1 1 171 171 ASP N N 171 113.232 113.232 121.739 -8.507 25554 7912 1 8 . 1 1 171 171 ASP C C 171 178.910 178.910 175.711 3.199 25554 7913 1 8 . 1 1 171 171 ASP CA C 171 50.479 50.479 50.767 -0.288 25554 7914 1 8 . 1 1 171 171 ASP CB C 171 41.109 41.109 41.068 0.041 25554 7915 1 8 . 1 1 171 171 ASP H H 171 6.815 6.815 8.010 -1.195 25554 7916 1 8 . 1 1 172 172 PRO C C 172 176.566 176.566 176.870 -0.304 25554 7917 1 8 . 1 1 172 172 PRO CA C 172 63.965 63.965 64.519 -0.554 25554 7918 1 8 . 1 1 172 172 PRO CB C 172 31.732 31.732 32.304 -0.572 25554 7919 1 8 . 1 1 173 173 ASN N N 173 109.779 109.779 113.965 -4.186 25554 7920 1 8 . 1 1 173 173 ASN C C 173 175.979 175.979 175.806 0.173 25554 7921 1 8 . 1 1 173 173 ASN CA C 173 54.579 54.579 54.071 0.508 25554 7922 1 8 . 1 1 173 173 ASN CB C 173 36.424 36.424 38.272 -1.848 25554 7923 1 8 . 1 1 173 173 ASN H H 173 8.016 8.016 8.190 -0.174 25554 7924 1 8 . 1 1 174 174 LEU N N 174 109.248 109.248 122.362 -13.114 25554 7925 1 8 . 1 1 174 174 LEU C C 174 176.566 176.566 175.886 0.680 25554 7926 1 8 . 1 1 174 174 LEU CA C 174 56.336 56.336 55.752 0.584 25554 7927 1 8 . 1 1 174 174 LEU CB C 174 44.037 44.037 43.132 0.905 25554 7928 1 8 . 1 1 174 174 LEU H H 174 7.871 7.871 7.400 0.471 25554 7929 1 8 . 1 1 175 175 GLU N N 175 125.185 125.185 124.190 0.995 25554 7930 1 8 . 1 1 175 175 GLU C C 175 177.445 177.445 175.439 2.006 25554 7931 1 8 . 1 1 175 175 GLU CA C 175 76.247 76.247 54.670 21.577 25554 7932 1 8 . 1 1 175 175 GLU CB C 175 28.811 28.811 32.931 -4.120 25554 7933 1 8 . 1 1 175 175 GLU H H 175 9.127 9.127 8.615 0.512 25554 7934 1 8 . 1 1 176 176 PHE N N 176 136.873 136.873 120.354 16.519 25554 7935 1 8 . 1 1 176 176 PHE C C 176 178.617 178.617 176.168 2.449 25554 7936 1 8 . 1 1 176 176 PHE CA C 176 59.264 59.264 56.318 2.946 25554 7937 1 8 . 1 1 176 176 PHE CB C 176 44.623 44.623 39.044 5.579 25554 7938 1 8 . 1 1 176 176 PHE H H 176 10.058 10.058 8.943 1.115 25554 7939 1 8 . 1 1 177 177 VAL N N 177 118.877 118.877 123.990 -5.113 25554 7940 1 8 . 1 1 177 177 VAL C C 177 177.445 177.445 175.580 1.865 25554 7941 1 8 . 1 1 177 177 VAL CA C 177 62.777 62.777 63.266 -0.489 25554 7942 1 8 . 1 1 177 177 VAL CB C 177 34.668 34.668 32.768 1.900 25554 7943 1 8 . 1 1 177 177 VAL H H 177 7.789 7.789 8.975 -1.186 25554 7944 1 8 . 1 1 178 178 ALA N N 178 128.904 128.904 121.736 7.168 25554 7945 1 8 . 1 1 178 178 ALA CA C 178 57.507 57.507 51.173 6.334 25554 7946 1 8 . 1 1 178 178 ALA CB C 178 19.441 19.441 21.622 -2.181 25554 7947 1 8 . 1 1 178 178 ALA H H 178 7.566 7.566 8.018 -0.452 25554 7948 1 8 . 1 1 179 179 MET N N 179 120.736 120.736 123.587 -2.851 25554 7949 1 8 . 1 1 179 179 MET C C 179 176.859 176.859 175.260 1.599 25554 7950 1 8 . 1 1 179 179 MET CA C 179 56.336 56.336 54.347 1.989 25554 7951 1 8 . 1 1 179 179 MET CB C 179 34.668 34.668 32.111 2.557 25554 7952 1 8 . 1 1 179 179 MET H H 179 7.930 7.930 8.655 -0.725 25554 7953 1 8 . 1 1 180 180 PRO C C 180 177.445 177.445 175.616 1.829 25554 7954 1 8 . 1 1 180 180 PRO CA C 180 64.844 64.844 62.374 2.470 25554 7955 1 8 . 1 1 180 180 PRO CB C 180 29.974 29.974 32.414 -2.440 25554 7956 1 8 . 1 1 181 181 ALA N N 181 128.439 128.439 123.121 5.318 25554 7957 1 8 . 1 1 181 181 ALA C C 181 176.273 176.273 175.784 0.489 25554 7958 1 8 . 1 1 181 181 ALA CA C 181 58.092 58.092 51.721 6.371 25554 7959 1 8 . 1 1 181 181 ALA CB C 181 21.198 21.198 19.424 1.774 25554 7960 1 8 . 1 1 181 181 ALA H H 181 8.673 8.673 8.158 0.515 25554 7961 1 8 . 1 1 182 182 LEU N N 182 122.130 122.130 123.956 -1.826 25554 7962 1 8 . 1 1 182 182 LEU C C 182 177.445 177.445 176.611 0.834 25554 7963 1 8 . 1 1 182 182 LEU CA C 182 55.164 55.164 52.897 2.267 25554 7964 1 8 . 1 1 182 182 LEU CB C 182 42.866 42.866 45.011 -2.145 25554 7965 1 8 . 1 1 182 182 LEU H H 182 8.821 8.821 8.223 0.598 25554 7966 1 8 . 1 1 183 183 ALA N N 183 108.783 108.783 125.892 -17.109 25554 7967 1 8 . 1 1 183 183 ALA C C 183 160.742 160.742 175.245 -14.503 25554 7968 1 8 . 1 1 183 183 ALA CA C 183 51.651 51.651 50.177 1.474 25554 7969 1 8 . 1 1 183 183 ALA CB C 183 18.856 18.856 18.204 0.652 25554 7970 1 8 . 1 1 183 183 ALA H H 183 7.621 7.621 8.388 -0.767 25554 7971 1 8 . 1 1 184 184 PRO C C 184 177.152 177.152 175.123 2.029 25554 7972 1 8 . 1 1 184 184 PRO CA C 184 64.258 64.258 61.906 2.352 25554 7973 1 8 . 1 1 184 184 PRO CB C 184 29.681 29.681 31.273 -1.592 25554 7974 1 8 . 1 1 185 185 PRO C C 185 175.686 175.686 177.023 -1.337 25554 7975 1 8 . 1 1 185 185 PRO CA C 185 63.379 63.379 63.252 0.127 25554 7976 1 8 . 1 1 185 185 PRO CB C 185 35.248 35.248 31.994 3.254 25554 7977 1 8 . 1 1 186 186 GLU N N 186 104.931 104.931 124.137 -19.206 25554 7978 1 8 . 1 1 186 186 GLU C C 186 174.221 174.221 176.462 -2.241 25554 7979 1 8 . 1 1 186 186 GLU CA C 186 57.507 57.507 58.473 -0.966 25554 7980 1 8 . 1 1 186 186 GLU CB C 186 31.739 31.739 30.186 1.553 25554 7981 1 8 . 1 1 186 186 GLU H H 186 8.673 8.673 8.661 0.012 25554 7982 1 8 . 1 1 187 187 VAL N N 187 124.455 124.455 111.318 13.137 25554 7983 1 8 . 1 1 187 187 VAL C C 187 178.910 178.910 174.560 4.350 25554 7984 1 8 . 1 1 187 187 VAL CA C 187 63.363 63.363 59.729 3.634 25554 7985 1 8 . 1 1 187 187 VAL CB C 187 34.082 34.082 35.251 -1.169 25554 7986 1 8 . 1 1 187 187 VAL H H 187 8.622 8.622 7.395 1.227 25554 7987 1 8 . 1 1 188 188 VAL N N 188 128.572 128.572 123.219 5.353 25554 7988 1 8 . 1 1 188 188 VAL C C 188 178.324 178.324 174.891 3.433 25554 7989 1 8 . 1 1 188 188 VAL CA C 188 68.634 68.634 60.961 7.673 25554 7990 1 8 . 1 1 188 188 VAL CB C 188 31.154 31.154 33.151 -1.997 25554 7991 1 8 . 1 1 188 188 VAL H H 188 8.497 8.497 8.354 0.143 25554 7992 1 8 . 1 1 189 189 MET N N 189 122.795 122.795 127.337 -4.542 25554 7993 1 8 . 1 1 189 189 MET C C 189 177.445 177.445 175.169 2.276 25554 7994 1 8 . 1 1 189 189 MET CA C 189 55.164 55.164 55.597 -0.433 25554 7995 1 8 . 1 1 189 189 MET CB C 189 35.253 35.253 32.886 2.367 25554 7996 1 8 . 1 1 189 189 MET H H 189 6.991 6.991 8.563 -1.572 25554 7997 1 8 . 1 1 190 190 ASP N N 190 114.959 114.959 128.099 -13.140 25554 7998 1 8 . 1 1 190 190 ASP C C 190 175.686 175.686 175.422 0.264 25554 7999 1 8 . 1 1 190 190 ASP CA C 190 51.065 51.065 52.406 -1.341 25554 8000 1 8 . 1 1 190 190 ASP CB C 190 41.695 41.695 41.055 0.640 25554 8001 1 8 . 1 1 190 190 ASP H H 190 7.210 7.210 8.524 -1.314 25554 8002 1 8 . 1 1 191 191 PRO C C 191 176.566 176.566 178.145 -1.579 25554 8003 1 8 . 1 1 191 191 PRO CA C 191 63.965 63.965 65.715 -1.750 25554 8004 1 8 . 1 1 191 191 PRO CB C 191 31.146 31.146 31.672 -0.527 25554 8005 1 8 . 1 1 192 192 ALA N N 192 109.513 109.513 120.943 -11.430 25554 8006 1 8 . 1 1 192 192 ALA CA C 192 53.993 53.993 54.843 -0.850 25554 8007 1 8 . 1 1 192 192 ALA CB C 192 19.441 19.441 17.962 1.479 25554 8008 1 8 . 1 1 192 192 ALA H H 192 7.394 7.394 8.256 -0.862 25554 8009 1 8 . 1 1 193 193 LEU N N 193 119.009 119.009 119.670 -0.661 25554 8010 1 8 . 1 1 193 193 LEU C C 193 175.979 175.979 178.900 -2.921 25554 8011 1 8 . 1 1 193 193 LEU CA C 193 56.336 56.336 57.036 -0.700 25554 8012 1 8 . 1 1 193 193 LEU CB C 193 42.866 42.866 41.193 1.673 25554 8013 1 8 . 1 1 193 193 LEU H H 193 8.340 8.340 7.985 0.355 25554 8014 1 8 . 1 1 194 194 ALA N N 194 121.666 121.666 121.545 0.121 25554 8015 1 8 . 1 1 194 194 ALA C C 194 166.896 166.896 179.290 -12.394 25554 8016 1 8 . 1 1 194 194 ALA CA C 194 55.164 55.164 54.786 0.378 25554 8017 1 8 . 1 1 194 194 ALA CB C 194 16.513 16.513 18.032 -1.518 25554 8018 1 8 . 1 1 194 194 ALA H H 194 8.176 8.176 8.171 0.005 25554 8019 1 8 . 1 1 195 195 ALA N N 195 119.541 119.541 121.260 -1.719 25554 8020 1 8 . 1 1 195 195 ALA C C 195 173.928 173.928 179.692 -5.764 25554 8021 1 8 . 1 1 195 195 ALA CA C 195 57.507 57.507 55.132 2.375 25554 8022 1 8 . 1 1 195 195 ALA CB C 195 19.441 19.441 18.376 1.065 25554 8023 1 8 . 1 1 195 195 ALA H H 195 8.364 8.364 8.223 0.141 25554 8024 1 8 . 1 1 196 196 GLN N N 196 107.322 107.322 118.386 -11.064 25554 8025 1 8 . 1 1 196 196 GLN C C 196 176.273 176.273 178.682 -2.409 25554 8026 1 8 . 1 1 196 196 GLN CA C 196 56.921 56.921 59.144 -2.223 25554 8027 1 8 . 1 1 196 196 GLN CB C 196 29.983 29.983 28.676 1.307 25554 8028 1 8 . 1 1 196 196 GLN H H 196 7.910 7.910 8.136 -0.226 25554 8029 1 8 . 1 1 197 197 TYR N N 197 115.623 115.623 119.189 -3.566 25554 8030 1 8 . 1 1 197 197 TYR CA C 197 67.462 67.462 59.126 8.336 25554 8031 1 8 . 1 1 197 197 TYR CB C 197 41.695 41.695 37.556 4.139 25554 8032 1 8 . 1 1 197 197 TYR H H 197 8.196 8.196 8.262 -0.066 25554 8033 1 8 . 1 1 198 198 GLU N N 198 110.244 110.244 120.064 -9.820 25554 8034 1 8 . 1 1 198 198 GLU C C 198 176.273 176.273 179.201 -2.928 25554 8035 1 8 . 1 1 198 198 GLU CA C 198 53.407 53.407 59.270 -5.863 25554 8036 1 8 . 1 1 198 198 GLU CB C 198 30.568 30.568 29.263 1.305 25554 8037 1 8 . 1 1 198 198 GLU H H 198 7.523 7.523 8.378 -0.855 25554 8038 1 8 . 1 1 199 199 HIS N N 199 118.611 118.611 120.261 -1.650 25554 8039 1 8 . 1 1 199 199 HIS C C 199 175.686 175.686 177.348 -1.662 25554 8040 1 8 . 1 1 199 199 HIS CA C 199 56.921 56.921 59.569 -2.648 25554 8041 1 8 . 1 1 199 199 HIS CB C 199 28.226 28.226 29.826 -1.600 25554 8042 1 8 . 1 1 199 199 HIS H H 199 8.512 8.512 8.599 -0.087 25554 8043 1 8 . 1 1 200 200 ASP N N 200 120.736 120.736 120.284 0.452 25554 8044 1 8 . 1 1 200 200 ASP C C 200 176.273 176.273 178.671 -2.398 25554 8045 1 8 . 1 1 200 200 ASP CA C 200 56.921 56.921 57.391 -0.470 25554 8046 1 8 . 1 1 200 200 ASP CB C 200 40.524 40.524 40.445 0.079 25554 8047 1 8 . 1 1 200 200 ASP H H 200 7.519 7.519 8.567 -1.048 25554 8048 1 8 . 1 1 201 201 LEU N N 201 116.353 116.353 120.909 -4.556 25554 8049 1 8 . 1 1 201 201 LEU C C 201 178.910 178.910 178.331 0.579 25554 8050 1 8 . 1 1 201 201 LEU CA C 201 61.606 61.606 58.200 3.406 25554 8051 1 8 . 1 1 201 201 LEU CB C 201 41.109 41.109 42.078 -0.969 25554 8052 1 8 . 1 1 201 201 LEU H H 201 7.722 7.722 8.258 -0.536 25554 8053 1 8 . 1 1 202 202 GLU N N 202 118.080 118.080 119.530 -1.450 25554 8054 1 8 . 1 1 202 202 GLU C C 202 176.566 176.566 179.204 -2.638 25554 8055 1 8 . 1 1 202 202 GLU CA C 202 56.921 56.921 59.783 -2.862 25554 8056 1 8 . 1 1 202 202 GLU CB C 202 30.568 30.568 29.577 0.991 25554 8057 1 8 . 1 1 202 202 GLU H H 202 8.857 8.857 8.055 0.802 25554 8058 1 8 . 1 1 203 203 VAL N N 203 129.369 129.369 120.158 9.211 25554 8059 1 8 . 1 1 203 203 VAL C C 203 178.617 178.617 177.924 0.693 25554 8060 1 8 . 1 1 203 203 VAL CA C 203 64.534 64.534 66.166 -1.632 25554 8061 1 8 . 1 1 203 203 VAL CB C 203 27.640 27.640 31.355 -3.715 25554 8062 1 8 . 1 1 203 203 VAL H H 203 9.283 9.283 8.284 0.999 25554 8063 1 8 . 1 1 204 204 ALA N N 204 109.580 109.580 122.450 -12.870 25554 8064 1 8 . 1 1 204 204 ALA C C 204 176.859 176.859 180.127 -3.268 25554 8065 1 8 . 1 1 204 204 ALA CA C 204 54.579 54.579 55.221 -0.642 25554 8066 1 8 . 1 1 204 204 ALA CB C 204 18.270 18.270 18.361 -0.091 25554 8067 1 8 . 1 1 204 204 ALA H H 204 8.528 8.528 8.144 0.384 25554 8068 1 8 . 1 1 205 205 GLN N N 205 115.756 115.756 117.913 -2.157 25554 8069 1 8 . 1 1 205 205 GLN C C 205 175.979 175.979 179.086 -3.107 25554 8070 1 8 . 1 1 205 205 GLN CA C 205 48.137 48.137 58.653 -10.516 25554 8071 1 8 . 1 1 205 205 GLN CB C 205 25.883 25.883 28.125 -2.242 25554 8072 1 8 . 1 1 205 205 GLN H H 205 7.973 7.973 8.365 -0.392 25554 8073 1 8 . 1 1 206 206 THR N N 206 120.271 120.271 116.208 4.063 25554 8074 1 8 . 1 1 206 206 THR C C 206 176.273 176.273 176.159 0.114 25554 8075 1 8 . 1 1 206 206 THR CA C 206 67.462 67.462 65.811 1.651 25554 8076 1 8 . 1 1 206 206 THR CB C 206 70.390 70.390 69.143 1.247 25554 8077 1 8 . 1 1 206 206 THR H H 206 7.585 7.585 8.062 -0.477 25554 8078 1 8 . 1 1 207 207 THR N N 207 111.970 111.970 109.468 2.502 25554 8079 1 8 . 1 1 207 207 THR C C 207 176.566 176.566 175.316 1.250 25554 8080 1 8 . 1 1 207 207 THR CA C 207 64.534 64.534 60.760 3.774 25554 8081 1 8 . 1 1 207 207 THR CB C 207 72.733 72.733 69.986 2.747 25554 8082 1 8 . 1 1 207 207 THR H H 207 7.468 7.468 7.943 -0.475 25554 8083 1 8 . 1 1 208 208 ALA N N 208 115.623 115.623 124.564 -8.941 25554 8084 1 8 . 1 1 208 208 ALA C C 208 168.947 168.947 179.004 -10.057 25554 8085 1 8 . 1 1 208 208 ALA CA C 208 55.164 55.164 54.813 0.351 25554 8086 1 8 . 1 1 208 208 ALA CB C 208 22.369 22.369 18.727 3.643 25554 8087 1 8 . 1 1 208 208 ALA H H 208 7.390 7.390 8.472 -1.082 25554 8088 1 8 . 1 1 209 209 LEU N N 209 117.814 117.814 120.376 -2.562 25554 8089 1 8 . 1 1 209 209 LEU C C 209 176.273 176.273 175.175 1.098 25554 8090 1 8 . 1 1 209 209 LEU CA C 209 58.678 58.678 57.487 1.191 25554 8091 1 8 . 1 1 209 209 LEU CB C 209 46.380 46.380 40.185 6.195 25554 8092 1 8 . 1 1 209 209 LEU H H 209 7.652 7.652 7.538 0.114 25554 8093 1 8 . 1 1 210 210 PRO C C 210 176.566 176.566 177.273 -0.707 25554 8094 1 8 . 1 1 210 210 PRO CA C 210 63.086 63.086 63.339 -0.253 25554 8095 1 8 . 1 1 210 210 PRO CB C 210 31.146 31.146 32.105 -0.959 25554 8096 1 8 . 1 1 211 211 ASP N N 211 121.134 121.134 123.940 -2.806 25554 8097 1 8 . 1 1 211 211 ASP C C 211 176.273 176.273 178.378 -2.105 25554 8098 1 8 . 1 1 211 211 ASP CA C 211 52.236 52.236 57.537 -5.301 25554 8099 1 8 . 1 1 211 211 ASP CB C 211 42.281 42.281 40.414 1.867 25554 8100 1 8 . 1 1 211 211 ASP H H 211 9.510 9.510 8.688 0.822 25554 8101 1 8 . 1 1 212 212 GLU N N 212 131.162 131.162 119.343 11.819 25554 8102 1 8 . 1 1 212 212 GLU C C 212 176.273 176.273 178.695 -2.422 25554 8103 1 8 . 1 1 212 212 GLU CA C 212 55.164 55.164 59.387 -4.223 25554 8104 1 8 . 1 1 212 212 GLU CB C 212 30.568 30.568 29.507 1.061 25554 8105 1 8 . 1 1 212 212 GLU H H 212 8.399 8.399 8.465 -0.066 25554 8106 1 8 . 1 1 213 213 ASP N N 213 115.822 115.822 119.305 -3.483 25554 8107 1 8 . 1 1 213 213 ASP C C 213 174.807 174.807 177.827 -3.020 25554 8108 1 8 . 1 1 213 213 ASP CA C 213 51.065 51.065 56.809 -5.745 25554 8109 1 8 . 1 1 213 213 ASP CB C 213 41.109 41.109 40.120 0.989 25554 8110 1 8 . 1 1 213 213 ASP H H 213 10.699 10.699 8.272 2.427 25554 8111 1 8 . 1 1 214 214 ASP N N 214 112.369 112.369 119.215 -6.846 25554 8112 1 8 . 1 1 214 214 ASP C C 214 178.910 178.910 177.519 1.391 25554 8113 1 8 . 1 1 214 214 ASP CA C 214 54.579 54.579 56.015 -1.436 25554 8114 1 8 . 1 1 214 214 ASP CB C 214 39.353 39.353 40.372 -1.019 25554 8115 1 8 . 1 1 214 214 ASP H H 214 7.464 7.464 7.867 -0.403 25554 8116 1 8 . 1 1 215 215 ASP N N 215 127.244 127.244 119.378 7.866 25554 8117 1 8 . 1 1 215 215 ASP C C 215 176.859 176.859 177.421 -0.562 25554 8118 1 8 . 1 1 215 215 ASP CA C 215 54.579 54.579 55.795 -1.216 25554 8119 1 8 . 1 1 215 215 ASP CB C 215 40.524 40.524 41.038 -0.514 25554 8120 1 8 . 1 1 215 215 ASP H H 215 8.301 8.301 8.023 0.278 25554 8121 1 9 . 1 1 2 2 ALA N N 2 131.228 131.228 124.132 7.096 25554 8122 1 9 . 1 1 2 2 ALA C C 2 187.031 187.031 178.912 8.119 25554 8123 1 9 . 1 1 2 2 ALA CA C 2 53.407 53.407 54.774 -1.367 25554 8124 1 9 . 1 1 2 2 ALA CB C 2 20.027 20.027 17.833 2.194 25554 8125 1 9 . 1 1 2 2 ALA H H 2 10.644 10.644 8.487 2.157 25554 8126 1 9 . 1 1 3 3 ALA N N 3 124.521 124.521 120.424 4.097 25554 8127 1 9 . 1 1 3 3 ALA C C 3 176.566 176.566 179.176 -2.610 25554 8128 1 9 . 1 1 3 3 ALA CA C 3 49.894 49.894 54.275 -4.380 25554 8129 1 9 . 1 1 3 3 ALA CB C 3 18.270 18.270 18.132 0.138 25554 8130 1 9 . 1 1 3 3 ALA H H 3 8.669 8.669 8.290 0.379 25554 8131 1 9 . 1 1 4 4 GLN N N 4 118.080 118.080 118.408 -0.328 25554 8132 1 9 . 1 1 4 4 GLN C C 4 176.273 176.273 177.959 -1.686 25554 8133 1 9 . 1 1 4 4 GLN CA C 4 54.579 54.579 57.751 -3.172 25554 8134 1 9 . 1 1 4 4 GLN CB C 4 27.054 27.054 28.583 -1.529 25554 8135 1 9 . 1 1 4 4 GLN H H 4 8.919 8.919 8.210 0.709 25554 8136 1 9 . 1 1 5 5 GLY N N 5 121.002 121.002 105.022 15.980 25554 8137 1 9 . 1 1 5 5 GLY C C 5 181.877 181.877 175.425 6.452 25554 8138 1 9 . 1 1 5 5 GLY CA C 5 45.794 45.794 45.160 0.634 25554 8139 1 9 . 1 1 5 5 GLY H H 5 8.082 8.082 8.311 -0.229 25554 8140 1 9 . 1 1 6 6 GLU N N 6 129.435 129.435 121.401 8.034 25554 8141 1 9 . 1 1 6 6 GLU C C 6 176.566 176.566 176.636 -0.070 25554 8142 1 9 . 1 1 6 6 GLU CA C 6 56.336 56.336 60.198 -3.862 25554 8143 1 9 . 1 1 6 6 GLU CB C 6 28.811 28.811 28.326 0.485 25554 8144 1 9 . 1 1 6 6 GLU H H 6 9.267 9.267 8.336 0.931 25554 8145 1 9 . 1 1 7 7 PRO C C 7 176.566 176.566 176.840 -0.274 25554 8146 1 9 . 1 1 7 7 PRO CA C 7 63.672 63.672 64.233 -0.560 25554 8147 1 9 . 1 1 7 7 PRO CB C 7 31.146 31.146 31.999 -0.853 25554 8148 1 9 . 1 1 8 8 GLN N N 8 112.502 112.502 116.554 -4.052 25554 8149 1 9 . 1 1 8 8 GLN C C 8 177.445 177.445 173.893 3.552 25554 8150 1 9 . 1 1 8 8 GLN CA C 8 50.479 50.479 54.361 -3.882 25554 8151 1 9 . 1 1 8 8 GLN CB C 8 28.811 28.811 32.361 -3.550 25554 8152 1 9 . 1 1 8 8 GLN H H 8 6.220 6.220 8.065 -1.845 25554 8153 1 9 . 1 1 9 9 VAL N N 9 117.416 117.416 126.285 -8.869 25554 8154 1 9 . 1 1 9 9 VAL C C 9 178.324 178.324 174.151 4.173 25554 8155 1 9 . 1 1 9 9 VAL CA C 9 63.363 63.363 61.180 2.183 25554 8156 1 9 . 1 1 9 9 VAL CB C 9 34.668 34.668 34.178 0.490 25554 8157 1 9 . 1 1 9 9 VAL H H 9 6.561 6.561 8.948 -2.387 25554 8158 1 9 . 1 1 10 10 GLN N N 10 113.896 113.896 124.187 -10.291 25554 8159 1 9 . 1 1 10 10 GLN C C 10 176.273 176.273 174.701 1.572 25554 8160 1 9 . 1 1 10 10 GLN CA C 10 55.164 55.164 53.742 1.421 25554 8161 1 9 . 1 1 10 10 GLN CB C 10 28.226 28.226 32.499 -4.273 25554 8162 1 9 . 1 1 10 10 GLN H H 10 7.847 7.847 8.114 -0.267 25554 8163 1 9 . 1 1 11 11 PHE N N 11 118.744 118.744 122.321 -3.577 25554 8164 1 9 . 1 1 11 11 PHE C C 11 176.566 176.566 174.535 2.031 25554 8165 1 9 . 1 1 11 11 PHE CA C 11 59.849 59.849 56.368 3.481 25554 8166 1 9 . 1 1 11 11 PHE CB C 11 41.109 41.109 42.422 -1.313 25554 8167 1 9 . 1 1 11 11 PHE H H 11 8.262 8.262 8.882 -0.620 25554 8168 1 9 . 1 1 12 12 LYS N N 12 124.123 124.123 123.784 0.339 25554 8169 1 9 . 1 1 12 12 LYS C C 12 177.152 177.152 175.121 2.031 25554 8170 1 9 . 1 1 12 12 LYS CA C 12 57.507 57.507 55.677 1.830 25554 8171 1 9 . 1 1 12 12 LYS CB C 12 28.811 28.811 32.978 -4.167 25554 8172 1 9 . 1 1 12 12 LYS H H 12 8.415 8.415 9.015 -0.600 25554 8173 1 9 . 1 1 13 13 LEU N N 13 112.103 112.103 128.496 -16.393 25554 8174 1 9 . 1 1 13 13 LEU C C 13 177.738 177.738 174.965 2.773 25554 8175 1 9 . 1 1 13 13 LEU CA C 13 54.579 54.579 53.450 1.129 25554 8176 1 9 . 1 1 13 13 LEU CB C 13 42.866 42.866 45.668 -2.802 25554 8177 1 9 . 1 1 13 13 LEU H H 13 6.905 6.905 9.120 -2.215 25554 8178 1 9 . 1 1 14 14 VAL N N 14 127.310 127.310 127.475 -0.165 25554 8179 1 9 . 1 1 14 14 VAL C C 14 175.393 175.393 174.319 1.074 25554 8180 1 9 . 1 1 14 14 VAL CA C 14 70.976 70.976 62.253 8.723 25554 8181 1 9 . 1 1 14 14 VAL CB C 14 28.811 28.811 32.702 -3.891 25554 8182 1 9 . 1 1 14 14 VAL H H 14 8.305 8.305 9.149 -0.844 25554 8183 1 9 . 1 1 15 15 LEU N N 15 121.400 121.400 128.957 -7.557 25554 8184 1 9 . 1 1 15 15 LEU C C 15 173.342 173.342 176.352 -3.010 25554 8185 1 9 . 1 1 15 15 LEU CA C 15 56.336 56.336 53.467 2.869 25554 8186 1 9 . 1 1 15 15 LEU CB C 15 41.695 41.695 43.281 -1.586 25554 8187 1 9 . 1 1 15 15 LEU H H 15 7.785 7.785 8.502 -0.717 25554 8188 1 9 . 1 1 16 16 VAL N N 16 121.267 121.267 115.825 5.442 25554 8189 1 9 . 1 1 16 16 VAL C C 16 178.324 178.324 174.576 3.748 25554 8190 1 9 . 1 1 16 16 VAL CA C 16 63.363 63.363 58.514 4.849 25554 8191 1 9 . 1 1 16 16 VAL CB C 16 35.839 35.839 35.503 0.336 25554 8192 1 9 . 1 1 16 16 VAL H H 16 8.935 8.935 8.877 0.058 25554 8193 1 9 . 1 1 17 17 GLY N N 17 127.908 127.908 107.401 20.507 25554 8194 1 9 . 1 1 17 17 GLY C C 17 174.514 174.514 172.155 2.359 25554 8195 1 9 . 1 1 17 17 GLY CA C 17 42.281 42.281 44.344 -2.063 25554 8196 1 9 . 1 1 17 17 GLY H H 17 9.682 9.682 6.600 3.082 25554 8197 1 9 . 1 1 18 18 ASP N N 18 119.673 119.673 119.125 0.548 25554 8198 1 9 . 1 1 18 18 ASP C C 18 176.859 176.859 176.739 0.120 25554 8199 1 9 . 1 1 18 18 ASP CA C 18 55.750 55.750 53.153 2.598 25554 8200 1 9 . 1 1 18 18 ASP CB C 18 39.938 39.938 42.874 -2.936 25554 8201 1 9 . 1 1 18 18 ASP H H 18 7.879 7.879 7.790 0.089 25554 8202 1 9 . 1 1 19 19 GLY N N 19 120.670 120.670 109.259 11.411 25554 8203 1 9 . 1 1 19 19 GLY C C 19 178.324 178.324 174.990 3.334 25554 8204 1 9 . 1 1 19 19 GLY CA C 19 42.281 42.281 46.095 -3.814 25554 8205 1 9 . 1 1 19 19 GLY H H 19 8.825 8.825 8.598 0.227 25554 8206 1 9 . 1 1 20 20 GLY N N 20 129.369 129.369 111.415 17.954 25554 8207 1 9 . 1 1 20 20 GLY C C 20 174.221 174.221 175.571 -1.350 25554 8208 1 9 . 1 1 20 20 GLY CA C 20 41.695 41.695 45.811 -4.116 25554 8209 1 9 . 1 1 20 20 GLY H H 20 8.477 8.477 8.523 -0.046 25554 8210 1 9 . 1 1 21 21 THR N N 21 114.560 114.560 112.520 2.040 25554 8211 1 9 . 1 1 21 21 THR C C 21 178.617 178.617 175.155 3.462 25554 8212 1 9 . 1 1 21 21 THR CA C 21 62.192 62.192 62.022 0.170 25554 8213 1 9 . 1 1 21 21 THR CB C 21 70.390 70.390 68.970 1.420 25554 8214 1 9 . 1 1 21 21 THR H H 21 8.196 8.196 7.515 0.681 25554 8215 1 9 . 1 1 22 22 GLY N N 22 112.369 112.369 110.113 2.256 25554 8216 1 9 . 1 1 22 22 GLY C C 22 184.807 184.807 175.098 9.709 25554 8217 1 9 . 1 1 22 22 GLY CA C 22 45.209 45.209 45.582 -0.373 25554 8218 1 9 . 1 1 22 22 GLY H H 22 6.772 6.772 8.315 -1.543 25554 8219 1 9 . 1 1 23 23 LYS N N 23 124.056 124.056 120.711 3.345 25554 8220 1 9 . 1 1 23 23 LYS C C 23 176.566 176.566 178.218 -1.652 25554 8221 1 9 . 1 1 23 23 LYS CA C 23 56.921 56.921 59.682 -2.761 25554 8222 1 9 . 1 1 23 23 LYS CB C 23 35.839 35.839 32.179 3.660 25554 8223 1 9 . 1 1 23 23 LYS H H 23 8.180 8.180 8.169 0.011 25554 8224 1 9 . 1 1 24 24 THR N N 24 114.627 114.627 114.540 0.087 25554 8225 1 9 . 1 1 24 24 THR C C 24 178.324 178.324 176.821 1.503 25554 8226 1 9 . 1 1 24 24 THR CA C 24 62.192 62.192 66.489 -4.297 25554 8227 1 9 . 1 1 24 24 THR CB C 24 71.562 71.562 68.484 3.078 25554 8228 1 9 . 1 1 24 24 THR H H 24 8.469 8.469 8.297 0.172 25554 8229 1 9 . 1 1 25 25 THR N N 25 110.377 110.377 118.581 -8.204 25554 8230 1 9 . 1 1 25 25 THR C C 25 178.324 178.324 175.938 2.386 25554 8231 1 9 . 1 1 25 25 THR CA C 25 64.534 64.534 67.258 -2.724 25554 8232 1 9 . 1 1 25 25 THR CB C 25 71.562 71.562 68.596 2.966 25554 8233 1 9 . 1 1 25 25 THR H H 25 8.415 8.415 8.133 0.282 25554 8234 1 9 . 1 1 26 26 PHE N N 26 114.295 114.295 122.900 -8.605 25554 8235 1 9 . 1 1 26 26 PHE C C 26 174.514 174.514 177.239 -2.725 25554 8236 1 9 . 1 1 26 26 PHE CA C 26 53.407 53.407 61.807 -8.400 25554 8237 1 9 . 1 1 26 26 PHE CB C 26 40.524 40.524 39.053 1.471 25554 8238 1 9 . 1 1 26 26 PHE H H 26 7.707 7.707 8.157 -0.450 25554 8239 1 9 . 1 1 27 27 VAL N N 27 123.525 123.525 118.205 5.320 25554 8240 1 9 . 1 1 27 27 VAL C C 27 178.031 178.031 178.271 -0.240 25554 8241 1 9 . 1 1 27 27 VAL CA C 27 67.462 67.462 66.181 1.281 25554 8242 1 9 . 1 1 27 27 VAL CB C 27 29.397 29.397 31.564 -2.167 25554 8243 1 9 . 1 1 27 27 VAL H H 27 6.987 6.987 8.279 -1.292 25554 8244 1 9 . 1 1 28 28 LYS N N 28 114.228 114.228 118.287 -4.059 25554 8245 1 9 . 1 1 28 28 LYS C C 28 176.566 176.566 178.186 -1.620 25554 8246 1 9 . 1 1 28 28 LYS CA C 28 58.092 58.092 58.284 -0.192 25554 8247 1 9 . 1 1 28 28 LYS CB C 28 34.082 34.082 31.950 2.132 25554 8248 1 9 . 1 1 28 28 LYS H H 28 7.429 7.429 8.184 -0.755 25554 8249 1 9 . 1 1 29 29 ARG N N 29 112.037 112.037 116.291 -4.254 25554 8250 1 9 . 1 1 29 29 ARG C C 29 174.221 174.221 176.474 -2.253 25554 8251 1 9 . 1 1 29 29 ARG CA C 29 72.147 72.147 57.775 14.372 25554 8252 1 9 . 1 1 29 29 ARG CB C 29 37.596 37.596 29.583 8.013 25554 8253 1 9 . 1 1 29 29 ARG H H 29 6.803 6.803 7.614 -0.811 25554 8254 1 9 . 1 1 30 30 HIS N N 30 122.396 122.396 119.502 2.894 25554 8255 1 9 . 1 1 30 30 HIS C C 30 172.170 172.170 176.274 -4.104 25554 8256 1 9 . 1 1 30 30 HIS CA C 30 51.651 51.651 55.705 -4.054 25554 8257 1 9 . 1 1 30 30 HIS CB C 30 30.568 30.568 29.478 1.090 25554 8258 1 9 . 1 1 30 30 HIS H H 30 7.644 7.644 7.168 0.476 25554 8259 1 9 . 1 1 31 31 LEU N N 31 110.377 110.377 127.895 -17.518 25554 8260 1 9 . 1 1 31 31 LEU C C 31 178.031 178.031 178.550 -0.519 25554 8261 1 9 . 1 1 31 31 LEU CA C 31 55.164 55.164 57.846 -2.682 25554 8262 1 9 . 1 1 31 31 LEU CB C 31 42.281 42.281 41.847 0.434 25554 8263 1 9 . 1 1 31 31 LEU H H 31 7.894 7.894 8.348 -0.454 25554 8264 1 9 . 1 1 32 32 THR N N 32 118.213 118.213 114.408 3.805 25554 8265 1 9 . 1 1 32 32 THR C C 32 178.910 178.910 176.820 2.090 25554 8266 1 9 . 1 1 32 32 THR CA C 32 63.949 63.949 67.105 -3.156 25554 8267 1 9 . 1 1 32 32 THR CB C 32 72.733 72.733 68.493 4.240 25554 8268 1 9 . 1 1 32 32 THR H H 32 7.570 7.570 8.091 -0.521 25554 8269 1 9 . 1 1 33 33 GLY N N 33 127.841 127.841 109.730 18.111 25554 8270 1 9 . 1 1 33 33 GLY C C 33 161.914 161.914 175.754 -13.840 25554 8271 1 9 . 1 1 33 33 GLY CA C 33 42.866 42.866 46.968 -4.102 25554 8272 1 9 . 1 1 33 33 GLY H H 33 9.662 9.662 8.809 0.853 25554 8273 1 9 . 1 1 34 34 GLU N N 34 122.263 122.263 122.769 -0.506 25554 8274 1 9 . 1 1 34 34 GLU C C 34 176.859 176.859 179.247 -2.388 25554 8275 1 9 . 1 1 34 34 GLU CA C 34 51.651 51.651 58.156 -6.505 25554 8276 1 9 . 1 1 34 34 GLU CB C 34 29.397 29.397 29.250 0.147 25554 8277 1 9 . 1 1 34 34 GLU H H 34 7.140 7.140 7.619 -0.479 25554 8278 1 9 . 1 1 35 35 PHE N N 35 111.838 111.838 117.698 -5.860 25554 8279 1 9 . 1 1 35 35 PHE C C 35 174.221 174.221 177.711 -3.490 25554 8280 1 9 . 1 1 35 35 PHE CA C 35 49.308 49.308 60.031 -10.723 25554 8281 1 9 . 1 1 35 35 PHE CB C 35 41.695 41.695 38.984 2.711 25554 8282 1 9 . 1 1 35 35 PHE H H 35 6.772 6.772 7.912 -1.140 25554 8283 1 9 . 1 1 36 36 GLU N N 36 124.388 124.388 118.172 6.216 25554 8284 1 9 . 1 1 36 36 GLU C C 36 176.859 176.859 174.476 2.383 25554 8285 1 9 . 1 1 36 36 GLU CA C 36 58.092 58.092 55.303 2.789 25554 8286 1 9 . 1 1 36 36 GLU CB C 36 30.568 30.568 28.695 1.873 25554 8287 1 9 . 1 1 36 36 GLU H H 36 7.734 7.734 8.097 -0.363 25554 8288 1 9 . 1 1 37 37 LYS N N 37 118.810 118.810 122.394 -3.584 25554 8289 1 9 . 1 1 37 37 LYS C C 37 172.756 172.756 175.970 -3.214 25554 8290 1 9 . 1 1 37 37 LYS CA C 37 48.137 48.137 55.032 -6.895 25554 8291 1 9 . 1 1 37 37 LYS CB C 37 37.010 37.010 33.618 3.392 25554 8292 1 9 . 1 1 37 37 LYS H H 37 8.509 8.509 7.274 1.235 25554 8293 1 9 . 1 1 38 38 LYS N N 38 108.052 108.052 126.782 -18.730 25554 8294 1 9 . 1 1 38 38 LYS C C 38 176.273 176.273 174.969 1.304 25554 8295 1 9 . 1 1 38 38 LYS CA C 38 59.849 59.849 54.833 5.016 25554 8296 1 9 . 1 1 38 38 LYS CB C 38 34.668 34.668 35.144 -0.476 25554 8297 1 9 . 1 1 38 38 LYS H H 38 7.715 7.715 8.597 -0.882 25554 8298 1 9 . 1 1 39 39 TYR N N 39 108.650 108.650 121.703 -13.053 25554 8299 1 9 . 1 1 39 39 TYR C C 39 175.686 175.686 176.333 -0.647 25554 8300 1 9 . 1 1 39 39 TYR CA C 39 61.020 61.020 57.935 3.085 25554 8301 1 9 . 1 1 39 39 TYR CB C 39 36.424 36.424 40.193 -3.769 25554 8302 1 9 . 1 1 39 39 TYR H H 39 7.362 7.362 8.612 -1.250 25554 8303 1 9 . 1 1 40 40 VAL N N 40 117.947 117.947 125.496 -7.549 25554 8304 1 9 . 1 1 40 40 VAL C C 40 175.393 175.393 175.479 -0.086 25554 8305 1 9 . 1 1 40 40 VAL CA C 40 61.020 61.020 61.169 -0.148 25554 8306 1 9 . 1 1 40 40 VAL CB C 40 31.154 31.154 32.686 -1.532 25554 8307 1 9 . 1 1 40 40 VAL H H 40 8.442 8.442 9.137 -0.695 25554 8308 1 9 . 1 1 42 42 THR N N 42 117.150 117.150 114.473 2.677 25554 8309 1 9 . 1 1 42 42 THR C C 42 178.910 178.910 176.668 2.242 25554 8310 1 9 . 1 1 42 42 THR CA C 42 60.435 60.435 64.630 -4.195 25554 8311 1 9 . 1 1 42 42 THR CB C 42 70.390 70.390 68.670 1.720 25554 8312 1 9 . 1 1 42 42 THR H H 42 8.192 8.192 8.133 0.059 25554 8313 1 9 . 1 1 43 43 LEU N N 43 119.209 119.209 120.912 -1.703 25554 8314 1 9 . 1 1 43 43 LEU C C 43 174.807 174.807 177.937 -3.130 25554 8315 1 9 . 1 1 43 43 LEU CA C 43 57.507 57.507 55.791 1.716 25554 8316 1 9 . 1 1 43 43 LEU CB C 43 42.866 42.866 42.163 0.703 25554 8317 1 9 . 1 1 43 43 LEU H H 43 9.260 9.260 7.996 1.264 25554 8318 1 9 . 1 1 44 44 GLY N N 44 114.361 114.361 106.929 7.432 25554 8319 1 9 . 1 1 44 44 GLY C C 44 178.910 178.910 173.570 5.340 25554 8320 1 9 . 1 1 44 44 GLY CA C 44 54.579 54.579 45.651 8.928 25554 8321 1 9 . 1 1 44 44 GLY H H 44 6.979 6.979 8.143 -1.164 25554 8322 1 9 . 1 1 45 45 VAL N N 45 110.244 110.244 119.456 -9.212 25554 8323 1 9 . 1 1 45 45 VAL C C 45 174.807 174.807 174.346 0.461 25554 8324 1 9 . 1 1 45 45 VAL CA C 45 63.363 63.363 60.377 2.986 25554 8325 1 9 . 1 1 45 45 VAL CB C 45 17.099 17.099 35.754 -18.655 25554 8326 1 9 . 1 1 45 45 VAL H H 45 8.309 8.309 7.912 0.397 25554 8327 1 9 . 1 1 46 46 GLU N N 46 130.365 130.365 125.745 4.620 25554 8328 1 9 . 1 1 46 46 GLU C C 46 176.859 176.859 175.677 1.182 25554 8329 1 9 . 1 1 46 46 GLU CA C 46 55.164 55.164 53.931 1.233 25554 8330 1 9 . 1 1 46 46 GLU CB C 46 32.325 32.325 31.253 1.072 25554 8331 1 9 . 1 1 46 46 GLU H H 46 9.741 9.741 9.197 0.544 25554 8332 1 9 . 1 1 47 47 VAL N N 47 115.623 115.623 124.816 -9.193 25554 8333 1 9 . 1 1 47 47 VAL C C 47 178.324 178.324 175.017 3.307 25554 8334 1 9 . 1 1 47 47 VAL CA C 47 63.363 63.363 60.624 2.739 25554 8335 1 9 . 1 1 47 47 VAL CB C 47 32.911 32.911 32.944 -0.033 25554 8336 1 9 . 1 1 47 47 VAL H H 47 7.339 7.339 8.485 -1.146 25554 8337 1 9 . 1 1 48 48 HIS N N 48 129.236 129.236 126.996 2.240 25554 8338 1 9 . 1 1 48 48 HIS C C 48 169.240 169.240 173.205 -3.965 25554 8339 1 9 . 1 1 48 48 HIS CA C 48 49.894 49.894 53.210 -3.316 25554 8340 1 9 . 1 1 48 48 HIS CB C 48 27.640 27.640 31.354 -3.714 25554 8341 1 9 . 1 1 48 48 HIS H H 48 10.390 10.390 9.095 1.295 25554 8342 1 9 . 1 1 49 49 PRO C C 49 176.273 176.273 175.689 0.584 25554 8343 1 9 . 1 1 49 49 PRO CA C 49 62.500 62.500 62.907 -0.407 25554 8344 1 9 . 1 1 49 49 PRO CB C 49 29.974 29.974 32.086 -2.112 25554 8345 1 9 . 1 1 50 50 LEU N N 50 119.408 119.408 127.786 -8.378 25554 8346 1 9 . 1 1 50 50 LEU C C 50 177.445 177.445 175.118 2.327 25554 8347 1 9 . 1 1 50 50 LEU CA C 50 59.264 59.264 53.642 5.622 25554 8348 1 9 . 1 1 50 50 LEU CB C 50 42.281 42.281 42.733 -0.452 25554 8349 1 9 . 1 1 50 50 LEU H H 50 7.492 7.492 9.073 -1.581 25554 8350 1 9 . 1 1 51 51 VAL N N 51 117.947 117.947 122.590 -4.643 25554 8351 1 9 . 1 1 51 51 VAL C C 51 174.514 174.514 174.809 -0.295 25554 8352 1 9 . 1 1 51 51 VAL CA C 51 64.534 64.534 61.145 3.389 25554 8353 1 9 . 1 1 51 51 VAL CB C 51 37.010 37.010 33.529 3.481 25554 8354 1 9 . 1 1 51 51 VAL H H 51 7.715 7.715 8.215 -0.500 25554 8355 1 9 . 1 1 52 52 PHE N N 52 124.853 124.853 126.626 -1.773 25554 8356 1 9 . 1 1 52 52 PHE C C 52 175.100 175.100 174.035 1.065 25554 8357 1 9 . 1 1 52 52 PHE CA C 52 56.336 56.336 56.361 -0.026 25554 8358 1 9 . 1 1 52 52 PHE CB C 52 39.938 39.938 41.830 -1.892 25554 8359 1 9 . 1 1 52 52 PHE H H 52 8.935 8.935 8.971 -0.036 25554 8360 1 9 . 1 1 53 53 HIS N N 53 120.603 120.603 122.553 -1.950 25554 8361 1 9 . 1 1 53 53 HIS C C 53 170.119 170.119 175.027 -4.908 25554 8362 1 9 . 1 1 53 53 HIS CA C 53 55.164 55.164 55.280 -0.116 25554 8363 1 9 . 1 1 53 53 HIS CB C 53 30.568 30.568 30.888 -0.320 25554 8364 1 9 . 1 1 53 53 HIS H H 53 8.356 8.356 8.392 -0.036 25554 8365 1 9 . 1 1 54 54 THR N N 54 112.634 112.634 116.921 -4.287 25554 8366 1 9 . 1 1 54 54 THR C C 54 178.910 178.910 175.921 2.989 25554 8367 1 9 . 1 1 54 54 THR CA C 54 63.363 63.363 59.401 3.962 25554 8368 1 9 . 1 1 54 54 THR CB C 54 72.733 72.733 71.377 1.356 25554 8369 1 9 . 1 1 54 54 THR H H 54 7.574 7.574 8.962 -1.388 25554 8370 1 9 . 1 1 55 55 ASN N N 55 131.095 131.095 121.151 9.944 25554 8371 1 9 . 1 1 55 55 ASN C C 55 176.273 176.273 177.047 -0.774 25554 8372 1 9 . 1 1 55 55 ASN CA C 55 51.065 51.065 55.961 -4.896 25554 8373 1 9 . 1 1 55 55 ASN CB C 55 37.010 37.010 38.234 -1.224 25554 8374 1 9 . 1 1 55 55 ASN H H 55 10.187 10.187 9.248 0.939 25554 8375 1 9 . 1 1 56 56 ARG N N 56 122.064 122.064 117.841 4.223 25554 8376 1 9 . 1 1 56 56 ARG C C 56 175.100 175.100 176.386 -1.286 25554 8377 1 9 . 1 1 56 56 ARG CA C 56 61.606 61.606 56.377 5.229 25554 8378 1 9 . 1 1 56 56 ARG CB C 56 32.911 32.911 30.419 2.491 25554 8379 1 9 . 1 1 56 56 ARG H H 56 7.433 7.433 8.451 -1.018 25554 8380 1 9 . 1 1 57 57 GLY N N 57 127.709 127.709 106.494 21.215 25554 8381 1 9 . 1 1 57 57 GLY C C 57 175.979 175.979 171.348 4.631 25554 8382 1 9 . 1 1 57 57 GLY CA C 57 42.281 42.281 44.448 -2.167 25554 8383 1 9 . 1 1 57 57 GLY H H 57 9.373 9.373 8.034 1.339 25554 8384 1 9 . 1 1 58 58 PRO C C 58 177.152 177.152 175.745 1.407 25554 8385 1 9 . 1 1 58 58 PRO CA C 58 65.137 65.137 62.711 2.426 25554 8386 1 9 . 1 1 58 58 PRO CB C 58 29.095 29.095 32.466 -3.371 25554 8387 1 9 . 1 1 59 59 ILE N N 59 128.638 128.638 124.972 3.666 25554 8388 1 9 . 1 1 59 59 ILE C C 59 175.979 175.979 174.796 1.183 25554 8389 1 9 . 1 1 59 59 ILE CA C 59 65.120 65.120 60.105 5.015 25554 8390 1 9 . 1 1 59 59 ILE CB C 59 40.524 40.524 40.816 -0.292 25554 8391 1 9 . 1 1 59 59 ILE H H 59 8.794 8.794 8.788 0.006 25554 8392 1 9 . 1 1 60 60 LYS N N 60 115.756 115.756 127.267 -11.511 25554 8393 1 9 . 1 1 60 60 LYS C C 60 175.979 175.979 175.072 0.907 25554 8394 1 9 . 1 1 60 60 LYS CA C 60 56.921 56.921 54.104 2.817 25554 8395 1 9 . 1 1 60 60 LYS CB C 60 32.325 32.325 35.824 -3.499 25554 8396 1 9 . 1 1 60 60 LYS H H 60 7.253 7.253 9.008 -1.755 25554 8397 1 9 . 1 1 61 61 PHE N N 61 120.670 120.670 126.068 -5.398 25554 8398 1 9 . 1 1 61 61 PHE C C 61 175.393 175.393 175.244 0.149 25554 8399 1 9 . 1 1 61 61 PHE CA C 61 57.507 57.507 56.559 0.948 25554 8400 1 9 . 1 1 61 61 PHE CB C 61 41.109 41.109 41.149 -0.040 25554 8401 1 9 . 1 1 61 61 PHE H H 61 7.515 7.515 9.434 -1.919 25554 8402 1 9 . 1 1 62 62 ASN N N 62 119.076 119.076 124.187 -5.111 25554 8403 1 9 . 1 1 62 62 ASN C C 62 175.100 175.100 174.720 0.380 25554 8404 1 9 . 1 1 62 62 ASN CA C 62 53.407 53.407 52.876 0.531 25554 8405 1 9 . 1 1 62 62 ASN CB C 62 38.767 38.767 39.035 -0.269 25554 8406 1 9 . 1 1 62 62 ASN H H 62 7.558 7.558 9.056 -1.498 25554 8407 1 9 . 1 1 63 63 VAL N N 63 106.127 106.127 124.546 -18.419 25554 8408 1 9 . 1 1 63 63 VAL C C 63 175.100 175.100 175.471 -0.371 25554 8409 1 9 . 1 1 63 63 VAL CA C 63 61.020 61.020 62.814 -1.794 25554 8410 1 9 . 1 1 63 63 VAL CB C 63 31.154 31.154 32.384 -1.230 25554 8411 1 9 . 1 1 63 63 VAL H H 63 8.113 8.113 8.829 -0.716 25554 8412 1 9 . 1 1 64 64 TRP N N 64 129.302 129.302 130.316 -1.014 25554 8413 1 9 . 1 1 64 64 TRP C C 64 177.152 177.152 175.278 1.874 25554 8414 1 9 . 1 1 64 64 TRP CA C 64 59.264 59.264 55.984 3.280 25554 8415 1 9 . 1 1 64 64 TRP CB C 64 29.397 29.397 29.516 -0.119 25554 8416 1 9 . 1 1 64 64 TRP H H 64 8.970 8.970 9.624 -0.654 25554 8417 1 9 . 1 1 65 65 ASP N N 65 119.607 119.607 124.514 -4.907 25554 8418 1 9 . 1 1 65 65 ASP C C 65 174.514 174.514 176.008 -1.494 25554 8419 1 9 . 1 1 65 65 ASP CA C 65 55.164 55.164 52.188 2.976 25554 8420 1 9 . 1 1 65 65 ASP CB C 65 41.109 41.109 44.078 -2.969 25554 8421 1 9 . 1 1 65 65 ASP H H 65 8.638 8.638 9.180 -0.542 25554 8422 1 9 . 1 1 66 66 THR N N 66 122.463 122.463 115.798 6.665 25554 8423 1 9 . 1 1 66 66 THR C C 66 178.617 178.617 175.034 3.583 25554 8424 1 9 . 1 1 66 66 THR CA C 66 68.048 68.048 62.550 5.498 25554 8425 1 9 . 1 1 66 66 THR CB C 66 71.562 71.562 69.603 1.959 25554 8426 1 9 . 1 1 66 66 THR H H 66 8.293 8.293 8.601 -0.308 25554 8427 1 9 . 1 1 67 67 ALA N N 67 104.865 104.865 126.378 -21.513 25554 8428 1 9 . 1 1 67 67 ALA C C 67 177.738 177.738 177.416 0.322 25554 8429 1 9 . 1 1 67 67 ALA CA C 67 48.722 48.722 54.209 -5.487 25554 8430 1 9 . 1 1 67 67 ALA CB C 67 14.171 14.171 19.025 -4.854 25554 8431 1 9 . 1 1 67 67 ALA H H 67 8.657 8.657 8.961 -0.304 25554 8432 1 9 . 1 1 68 68 GLY N N 68 115.357 115.357 103.589 11.768 25554 8433 1 9 . 1 1 68 68 GLY C C 68 189.533 189.533 176.020 13.513 25554 8434 1 9 . 1 1 68 68 GLY CA C 68 45.209 45.209 44.973 0.236 25554 8435 1 9 . 1 1 68 68 GLY H H 68 10.969 10.969 8.316 2.653 25554 8436 1 9 . 1 1 69 69 GLN N N 69 110.111 110.111 120.200 -10.089 25554 8437 1 9 . 1 1 69 69 GLN C C 69 176.859 176.859 177.138 -0.279 25554 8438 1 9 . 1 1 69 69 GLN CA C 69 55.750 55.750 58.460 -2.710 25554 8439 1 9 . 1 1 69 69 GLN CB C 69 27.640 27.640 27.624 0.016 25554 8440 1 9 . 1 1 69 69 GLN H H 69 8.344 8.344 8.876 -0.532 25554 8441 1 9 . 1 1 70 70 GLU N N 70 114.826 114.826 119.847 -5.021 25554 8442 1 9 . 1 1 70 70 GLU C C 70 176.273 176.273 177.744 -1.471 25554 8443 1 9 . 1 1 70 70 GLU CA C 70 57.507 57.507 58.746 -1.239 25554 8444 1 9 . 1 1 70 70 GLU CB C 70 28.811 28.811 29.356 -0.545 25554 8445 1 9 . 1 1 70 70 GLU H H 70 9.651 9.651 8.511 1.140 25554 8446 1 9 . 1 1 71 71 LYS N N 71 116.685 116.685 117.432 -0.747 25554 8447 1 9 . 1 1 71 71 LYS C C 71 175.979 175.979 178.761 -2.782 25554 8448 1 9 . 1 1 71 71 LYS CA C 71 48.722 48.722 58.706 -9.984 25554 8449 1 9 . 1 1 71 71 LYS CB C 71 37.010 37.010 32.572 4.439 25554 8450 1 9 . 1 1 71 71 LYS H H 71 8.712 8.712 7.660 1.052 25554 8451 1 9 . 1 1 72 72 PHE N N 72 114.959 114.959 118.791 -3.832 25554 8452 1 9 . 1 1 72 72 PHE C C 72 175.686 175.686 175.863 -0.177 25554 8453 1 9 . 1 1 72 72 PHE CA C 72 56.336 56.336 59.463 -3.127 25554 8454 1 9 . 1 1 72 72 PHE CB C 72 36.424 36.424 40.207 -3.783 25554 8455 1 9 . 1 1 72 72 PHE H H 72 7.965 7.965 7.810 0.155 25554 8456 1 9 . 1 1 73 73 GLY N N 73 117.084 117.084 104.418 12.666 25554 8457 1 9 . 1 1 73 73 GLY C C 73 168.068 168.068 172.261 -4.193 25554 8458 1 9 . 1 1 73 73 GLY CA C 73 42.281 42.281 44.619 -2.338 25554 8459 1 9 . 1 1 73 73 GLY H H 73 7.609 7.609 8.094 -0.485 25554 8460 1 9 . 1 1 74 74 GLY N N 74 120.537 120.537 105.666 14.871 25554 8461 1 9 . 1 1 74 74 GLY C C 74 174.514 174.514 174.284 0.230 25554 8462 1 9 . 1 1 74 74 GLY CA C 74 44.037 44.037 44.085 -0.048 25554 8463 1 9 . 1 1 74 74 GLY H H 74 9.326 9.326 8.266 1.060 25554 8464 1 9 . 1 1 75 75 LEU N N 75 127.177 127.177 120.679 6.498 25554 8465 1 9 . 1 1 75 75 LEU C C 75 178.617 178.617 177.263 1.354 25554 8466 1 9 . 1 1 75 75 LEU CA C 75 53.407 53.407 54.097 -0.690 25554 8467 1 9 . 1 1 75 75 LEU CB C 75 42.281 42.281 42.766 -0.485 25554 8468 1 9 . 1 1 75 75 LEU H H 75 7.628 7.628 8.567 -0.939 25554 8469 1 9 . 1 1 76 76 ARG N N 76 116.486 116.486 122.554 -6.068 25554 8470 1 9 . 1 1 76 76 ARG C C 76 176.859 176.859 177.024 -0.165 25554 8471 1 9 . 1 1 76 76 ARG CA C 76 59.264 59.264 56.268 2.996 25554 8472 1 9 . 1 1 76 76 ARG CB C 76 31.154 31.154 31.174 -0.020 25554 8473 1 9 . 1 1 76 76 ARG H H 76 7.143 7.143 8.465 -1.322 25554 8474 1 9 . 1 1 77 77 ASP N N 77 129.236 129.236 122.327 6.909 25554 8475 1 9 . 1 1 77 77 ASP C C 77 177.152 177.152 178.437 -1.285 25554 8476 1 9 . 1 1 77 77 ASP CA C 77 52.822 52.822 57.440 -4.618 25554 8477 1 9 . 1 1 77 77 ASP CB C 77 41.695 41.695 40.495 1.200 25554 8478 1 9 . 1 1 77 77 ASP H H 77 8.947 8.947 8.902 0.045 25554 8479 1 9 . 1 1 78 78 GLY N N 78 127.244 127.244 108.393 18.851 25554 8480 1 9 . 1 1 78 78 GLY C C 78 173.928 173.928 175.176 -1.248 25554 8481 1 9 . 1 1 78 78 GLY CA C 78 44.623 44.623 46.874 -2.251 25554 8482 1 9 . 1 1 78 78 GLY H H 78 8.219 8.219 8.510 -0.291 25554 8483 1 9 . 1 1 79 79 TYR N N 79 120.537 120.537 121.326 -0.789 25554 8484 1 9 . 1 1 79 79 TYR C C 79 176.273 176.273 176.623 -0.350 25554 8485 1 9 . 1 1 79 79 TYR CA C 79 58.678 58.678 60.866 -2.188 25554 8486 1 9 . 1 1 79 79 TYR CB C 79 40.524 40.524 38.457 2.067 25554 8487 1 9 . 1 1 79 79 TYR H H 79 8.563 8.563 7.619 0.944 25554 8488 1 9 . 1 1 80 80 TYR N N 80 115.822 115.822 114.542 1.280 25554 8489 1 9 . 1 1 80 80 TYR C C 80 175.979 175.979 176.648 -0.669 25554 8490 1 9 . 1 1 80 80 TYR CA C 80 58.092 58.092 60.411 -2.319 25554 8491 1 9 . 1 1 80 80 TYR CB C 80 38.181 38.181 38.721 -0.540 25554 8492 1 9 . 1 1 80 80 TYR H H 80 7.194 7.194 7.321 -0.127 25554 8493 1 9 . 1 1 81 81 ILE N N 81 120.072 120.072 118.768 1.304 25554 8494 1 9 . 1 1 81 81 ILE C C 81 177.445 177.445 175.957 1.488 25554 8495 1 9 . 1 1 81 81 ILE CA C 81 67.462 67.462 63.144 4.318 25554 8496 1 9 . 1 1 81 81 ILE CB C 81 41.109 41.109 37.904 3.205 25554 8497 1 9 . 1 1 81 81 ILE H H 81 8.837 8.837 7.844 0.993 25554 8498 1 9 . 1 1 82 82 GLN N N 82 109.580 109.580 119.279 -9.699 25554 8499 1 9 . 1 1 82 82 GLN C C 82 177.152 177.152 174.671 2.481 25554 8500 1 9 . 1 1 82 82 GLN CA C 82 56.336 56.336 56.531 -0.195 25554 8501 1 9 . 1 1 82 82 GLN CB C 82 24.126 24.126 26.165 -2.039 25554 8502 1 9 . 1 1 82 82 GLN H H 82 8.493 8.493 8.663 -0.170 25554 8503 1 9 . 1 1 83 83 ALA N N 83 109.713 109.713 121.503 -11.790 25554 8504 1 9 . 1 1 83 83 ALA C C 83 175.979 175.979 176.386 -0.407 25554 8505 1 9 . 1 1 83 83 ALA CA C 83 54.579 54.579 51.407 3.172 25554 8506 1 9 . 1 1 83 83 ALA CB C 83 16.513 16.513 19.137 -2.624 25554 8507 1 9 . 1 1 83 83 ALA H H 83 6.306 6.306 7.400 -1.094 25554 8508 1 9 . 1 1 84 84 GLN N N 84 131.380 131.380 121.747 9.633 25554 8509 1 9 . 1 1 84 84 GLN C C 84 175.686 175.686 175.970 -0.284 25554 8510 1 9 . 1 1 84 84 GLN CA C 84 51.065 51.065 58.149 -7.084 25554 8511 1 9 . 1 1 84 84 GLN CB C 84 32.325 32.325 29.669 2.656 25554 8512 1 9 . 1 1 84 84 GLN H H 84 11.169 11.169 8.836 2.333 25554 8513 1 9 . 1 1 85 85 CYS N N 85 124.322 124.322 110.963 13.359 25554 8514 1 9 . 1 1 85 85 CYS C C 85 173.049 173.049 172.766 0.283 25554 8515 1 9 . 1 1 85 85 CYS CA C 85 57.507 57.507 55.966 1.541 25554 8516 1 9 . 1 1 85 85 CYS CB C 85 35.253 35.253 31.963 3.290 25554 8517 1 9 . 1 1 85 85 CYS H H 85 8.602 8.602 8.225 0.377 25554 8518 1 9 . 1 1 86 86 ALA N N 86 114.295 114.295 121.855 -7.560 25554 8519 1 9 . 1 1 86 86 ALA CA C 86 57.507 57.507 50.633 6.875 25554 8520 1 9 . 1 1 86 86 ALA CB C 86 21.784 21.784 22.692 -0.908 25554 8521 1 9 . 1 1 86 86 ALA H H 86 6.897 6.897 9.193 -2.296 25554 8522 1 9 . 1 1 87 87 ILE N N 87 120.670 120.670 120.461 0.209 25554 8523 1 9 . 1 1 87 87 ILE C C 87 173.928 173.928 174.727 -0.799 25554 8524 1 9 . 1 1 87 87 ILE CA C 87 61.020 61.020 59.777 1.243 25554 8525 1 9 . 1 1 87 87 ILE CB C 87 39.938 39.938 41.503 -1.565 25554 8526 1 9 . 1 1 87 87 ILE H H 87 8.282 8.282 8.724 -0.442 25554 8527 1 9 . 1 1 88 88 ILE N N 88 120.205 120.205 127.477 -7.272 25554 8528 1 9 . 1 1 88 88 ILE C C 88 173.635 173.635 174.991 -1.356 25554 8529 1 9 . 1 1 88 88 ILE CA C 88 64.534 64.534 59.918 4.616 25554 8530 1 9 . 1 1 88 88 ILE CB C 88 37.596 37.596 40.215 -2.619 25554 8531 1 9 . 1 1 88 88 ILE H H 88 5.528 5.528 8.771 -3.243 25554 8532 1 9 . 1 1 89 89 MET N N 89 119.209 119.209 126.678 -7.469 25554 8533 1 9 . 1 1 89 89 MET C C 89 176.566 176.566 175.345 1.221 25554 8534 1 9 . 1 1 89 89 MET CA C 89 56.921 56.921 53.949 2.972 25554 8535 1 9 . 1 1 89 89 MET CB C 89 34.668 34.668 34.837 -0.169 25554 8536 1 9 . 1 1 89 89 MET H H 89 8.164 8.164 8.817 -0.653 25554 8537 1 9 . 1 1 90 90 PHE N N 90 121.134 121.134 120.137 0.997 25554 8538 1 9 . 1 1 90 90 PHE C C 90 175.393 175.393 173.133 2.260 25554 8539 1 9 . 1 1 90 90 PHE CA C 90 60.435 60.435 55.676 4.759 25554 8540 1 9 . 1 1 90 90 PHE CB C 90 38.767 38.767 41.784 -3.017 25554 8541 1 9 . 1 1 90 90 PHE H H 90 9.334 9.334 8.543 0.791 25554 8542 1 9 . 1 1 91 91 ASP N N 91 125.185 125.185 121.806 3.379 25554 8543 1 9 . 1 1 91 91 ASP C C 91 176.566 176.566 178.082 -1.516 25554 8544 1 9 . 1 1 91 91 ASP CA C 91 52.822 52.822 53.441 -0.619 25554 8545 1 9 . 1 1 91 91 ASP CB C 91 39.938 39.938 41.724 -1.786 25554 8546 1 9 . 1 1 91 91 ASP H H 91 9.056 9.056 8.792 0.264 25554 8547 1 9 . 1 1 92 92 VAL N N 92 115.158 115.158 122.491 -7.333 25554 8548 1 9 . 1 1 92 92 VAL C C 92 173.342 173.342 177.602 -4.260 25554 8549 1 9 . 1 1 92 92 VAL CA C 92 64.534 64.534 65.490 -0.956 25554 8550 1 9 . 1 1 92 92 VAL CB C 92 37.596 37.596 31.591 6.005 25554 8551 1 9 . 1 1 92 92 VAL H H 92 7.738 7.738 8.520 -0.782 25554 8552 1 9 . 1 1 93 93 THR N N 93 112.302 112.302 115.083 -2.781 25554 8553 1 9 . 1 1 93 93 THR C C 93 177.152 177.152 174.590 2.562 25554 8554 1 9 . 1 1 93 93 THR CA C 93 64.534 64.534 65.507 -0.973 25554 8555 1 9 . 1 1 93 93 THR CB C 93 72.147 72.147 69.251 2.896 25554 8556 1 9 . 1 1 93 93 THR H H 93 7.269 7.269 8.238 -0.969 25554 8557 1 9 . 1 1 94 94 SER N N 94 122.263 122.263 115.781 6.482 25554 8558 1 9 . 1 1 94 94 SER C C 94 163.965 163.965 174.917 -10.952 25554 8559 1 9 . 1 1 94 94 SER CA C 94 59.849 59.849 56.698 3.151 25554 8560 1 9 . 1 1 94 94 SER CB C 94 62.192 62.192 65.327 -3.135 25554 8561 1 9 . 1 1 94 94 SER H H 94 7.628 7.628 7.659 -0.031 25554 8562 1 9 . 1 1 95 95 ARG N N 95 113.099 113.099 126.593 -13.494 25554 8563 1 9 . 1 1 95 95 ARG C C 95 176.273 176.273 177.837 -1.564 25554 8564 1 9 . 1 1 95 95 ARG CA C 95 53.407 53.407 59.569 -6.162 25554 8565 1 9 . 1 1 95 95 ARG CB C 95 31.154 31.154 30.159 0.995 25554 8566 1 9 . 1 1 95 95 ARG H H 95 8.102 8.102 8.836 -0.734 25554 8567 1 9 . 1 1 96 96 VAL N N 96 124.787 124.787 118.299 6.488 25554 8568 1 9 . 1 1 96 96 VAL C C 96 178.031 178.031 177.808 0.223 25554 8569 1 9 . 1 1 96 96 VAL CA C 96 68.634 68.634 66.466 2.168 25554 8570 1 9 . 1 1 96 96 VAL CB C 96 24.126 24.126 31.348 -7.222 25554 8571 1 9 . 1 1 96 96 VAL H H 96 9.146 9.146 8.083 1.063 25554 8572 1 9 . 1 1 97 97 THR N N 97 111.970 111.970 112.315 -0.345 25554 8573 1 9 . 1 1 97 97 THR C C 97 178.031 178.031 176.342 1.689 25554 8574 1 9 . 1 1 97 97 THR CA C 97 63.949 63.949 65.617 -1.668 25554 8575 1 9 . 1 1 97 97 THR CB C 97 70.390 70.390 68.975 1.415 25554 8576 1 9 . 1 1 97 97 THR H H 97 7.984 7.984 7.549 0.435 25554 8577 1 9 . 1 1 98 98 TYR N N 98 113.232 113.232 122.838 -9.606 25554 8578 1 9 . 1 1 98 98 TYR C C 98 176.273 176.273 177.137 -0.864 25554 8579 1 9 . 1 1 98 98 TYR H H 98 7.605 7.605 7.695 -0.090 25554 8580 1 9 . 1 1 99 99 LYS N N 99 121.998 121.998 118.066 3.932 25554 8581 1 9 . 1 1 99 99 LYS C C 99 174.221 174.221 178.610 -4.389 25554 8582 1 9 . 1 1 99 99 LYS CA C 99 59.264 59.264 59.136 0.128 25554 8583 1 9 . 1 1 99 99 LYS CB C 99 34.668 34.668 32.392 2.276 25554 8584 1 9 . 1 1 99 99 LYS H H 99 8.129 8.129 7.827 0.302 25554 8585 1 9 . 1 1 100 100 ASN N N 100 111.970 111.970 117.563 -5.593 25554 8586 1 9 . 1 1 100 100 ASN C C 100 175.979 175.979 177.500 -1.521 25554 8587 1 9 . 1 1 100 100 ASN CA C 100 53.407 53.407 55.293 -1.886 25554 8588 1 9 . 1 1 100 100 ASN CB C 100 37.596 37.596 38.444 -0.848 25554 8589 1 9 . 1 1 100 100 ASN H H 100 5.778 5.778 8.090 -2.312 25554 8590 1 9 . 1 1 101 101 VAL N N 101 118.877 118.877 120.668 -1.791 25554 8591 1 9 . 1 1 101 101 VAL C C 101 173.635 173.635 174.761 -1.126 25554 8592 1 9 . 1 1 101 101 VAL CA C 101 62.777 62.777 68.582 -5.805 25554 8593 1 9 . 1 1 101 101 VAL CB C 101 27.054 27.054 29.340 -2.287 25554 8594 1 9 . 1 1 101 101 VAL H H 101 7.370 7.370 7.681 -0.311 25554 8595 1 9 . 1 1 102 102 PRO C C 102 176.566 176.566 178.778 -2.212 25554 8596 1 9 . 1 1 102 102 PRO CA C 102 62.500 62.500 66.421 -3.921 25554 8597 1 9 . 1 1 102 102 PRO CB C 102 30.853 30.853 31.176 -0.323 25554 8598 1 9 . 1 1 103 103 ASN N N 103 122.728 122.728 116.953 5.775 25554 8599 1 9 . 1 1 103 103 ASN C C 103 175.100 175.100 177.508 -2.408 25554 8600 1 9 . 1 1 103 103 ASN CA C 103 54.579 54.579 55.720 -1.141 25554 8601 1 9 . 1 1 103 103 ASN CB C 103 38.767 38.767 37.702 1.065 25554 8602 1 9 . 1 1 103 103 ASN H H 103 7.879 7.879 8.490 -0.611 25554 8603 1 9 . 1 1 104 104 TRP N N 104 132.158 132.158 121.116 11.042 25554 8604 1 9 . 1 1 104 104 TRP C C 104 176.273 176.273 178.846 -2.573 25554 8605 1 9 . 1 1 104 104 TRP CA C 104 60.435 60.435 61.475 -1.040 25554 8606 1 9 . 1 1 104 104 TRP CB C 104 29.983 29.983 29.210 0.773 25554 8607 1 9 . 1 1 104 104 TRP H H 104 9.541 9.541 7.689 1.852 25554 8608 1 9 . 1 1 105 105 HIS N N 105 120.869 120.869 118.916 1.953 25554 8609 1 9 . 1 1 105 105 HIS C C 105 177.738 177.738 177.475 0.263 25554 8610 1 9 . 1 1 105 105 HIS H H 105 6.971 6.971 8.551 -1.580 25554 8611 1 9 . 1 1 106 106 ARG N N 106 126.314 126.314 119.196 7.118 25554 8612 1 9 . 1 1 106 106 ARG C C 106 176.566 176.566 178.430 -1.864 25554 8613 1 9 . 1 1 106 106 ARG CA C 106 62.777 62.777 59.820 2.957 25554 8614 1 9 . 1 1 106 106 ARG CB C 106 29.397 29.397 30.061 -0.664 25554 8615 1 9 . 1 1 106 106 ARG H H 106 7.507 7.507 8.446 -0.939 25554 8616 1 9 . 1 1 107 107 ASP N N 107 119.076 119.076 120.115 -1.039 25554 8617 1 9 . 1 1 107 107 ASP C C 107 176.566 176.566 178.574 -2.008 25554 8618 1 9 . 1 1 107 107 ASP CA C 107 55.164 55.164 57.196 -2.032 25554 8619 1 9 . 1 1 107 107 ASP CB C 107 41.695 41.695 40.353 1.342 25554 8620 1 9 . 1 1 107 107 ASP H H 107 9.076 9.076 8.009 1.067 25554 8621 1 9 . 1 1 108 108 LEU N N 108 113.299 113.299 121.088 -7.789 25554 8622 1 9 . 1 1 108 108 LEU C C 108 176.273 176.273 178.180 -1.907 25554 8623 1 9 . 1 1 108 108 LEU CA C 108 59.264 59.264 57.511 1.753 25554 8624 1 9 . 1 1 108 108 LEU CB C 108 48.722 48.722 41.867 6.855 25554 8625 1 9 . 1 1 108 108 LEU H H 108 6.725 6.725 7.937 -1.212 25554 8626 1 9 . 1 1 109 109 VAL N N 109 121.267 121.267 118.958 2.309 25554 8627 1 9 . 1 1 109 109 VAL C C 109 175.393 175.393 178.119 -2.726 25554 8628 1 9 . 1 1 109 109 VAL CA C 109 63.949 63.949 65.890 -1.941 25554 8629 1 9 . 1 1 109 109 VAL CB C 109 32.911 32.911 31.465 1.446 25554 8630 1 9 . 1 1 109 109 VAL H H 109 8.763 8.763 7.972 0.791 25554 8631 1 9 . 1 1 110 110 ARG N N 110 112.900 112.900 119.317 -6.417 25554 8632 1 9 . 1 1 110 110 ARG C C 110 176.273 176.273 178.051 -1.778 25554 8633 1 9 . 1 1 110 110 ARG CA C 110 57.507 57.507 58.845 -1.338 25554 8634 1 9 . 1 1 110 110 ARG CB C 110 30.568 30.568 30.363 0.205 25554 8635 1 9 . 1 1 110 110 ARG H H 110 7.241 7.241 7.614 -0.373 25554 8636 1 9 . 1 1 111 111 VAL N N 111 115.556 115.556 116.595 -1.039 25554 8637 1 9 . 1 1 111 111 VAL C C 111 177.445 177.445 175.701 1.744 25554 8638 1 9 . 1 1 111 111 VAL CA C 111 59.849 59.849 65.374 -5.525 25554 8639 1 9 . 1 1 111 111 VAL CB C 111 32.911 32.911 32.750 0.161 25554 8640 1 9 . 1 1 111 111 VAL H H 111 7.566 7.566 7.322 0.244 25554 8641 1 9 . 1 1 112 112 CYS N N 112 114.295 114.295 117.304 -3.009 25554 8642 1 9 . 1 1 112 112 CYS C C 112 169.826 169.826 172.749 -2.923 25554 8643 1 9 . 1 1 112 112 CYS CA C 112 57.507 57.507 58.050 -0.543 25554 8644 1 9 . 1 1 112 112 CYS CB C 112 35.839 35.839 31.129 4.710 25554 8645 1 9 . 1 1 112 112 CYS H H 112 7.425 7.425 8.021 -0.596 25554 8646 1 9 . 1 1 113 113 GLU N N 113 116.486 116.486 125.308 -8.822 25554 8647 1 9 . 1 1 113 113 GLU C C 113 176.566 176.566 175.693 0.873 25554 8648 1 9 . 1 1 113 113 GLU CA C 113 69.219 69.219 56.037 13.182 25554 8649 1 9 . 1 1 113 113 GLU CB C 113 30.568 30.568 31.114 -0.546 25554 8650 1 9 . 1 1 113 113 GLU H H 113 7.241 7.241 8.664 -1.423 25554 8651 1 9 . 1 1 114 114 ASN N N 114 129.302 129.302 117.923 11.379 25554 8652 1 9 . 1 1 114 114 ASN C C 114 175.100 175.100 174.558 0.542 25554 8653 1 9 . 1 1 114 114 ASN CA C 114 52.236 52.236 54.315 -2.079 25554 8654 1 9 . 1 1 114 114 ASN CB C 114 39.938 39.938 37.143 2.795 25554 8655 1 9 . 1 1 114 114 ASN H H 114 8.919 8.919 8.721 0.198 25554 8656 1 9 . 1 1 115 115 ILE N N 115 110.443 110.443 113.913 -3.470 25554 8657 1 9 . 1 1 115 115 ILE C C 115 175.100 175.100 174.525 0.575 25554 8658 1 9 . 1 1 115 115 ILE CA C 115 65.705 65.705 58.959 6.745 25554 8659 1 9 . 1 1 115 115 ILE CB C 115 39.353 39.353 38.194 1.159 25554 8660 1 9 . 1 1 115 115 ILE H H 115 9.287 9.287 7.618 1.669 25554 8661 1 9 . 1 1 116 116 PRO C C 116 175.979 175.979 175.550 0.429 25554 8662 1 9 . 1 1 116 116 PRO CA C 116 63.086 63.086 62.856 0.230 25554 8663 1 9 . 1 1 116 116 PRO CB C 116 29.681 29.681 32.452 -2.771 25554 8664 1 9 . 1 1 117 117 ILE N N 117 123.591 123.591 124.871 -1.280 25554 8665 1 9 . 1 1 117 117 ILE C C 117 174.807 174.807 174.967 -0.160 25554 8666 1 9 . 1 1 117 117 ILE CA C 117 66.291 66.291 60.059 6.231 25554 8667 1 9 . 1 1 117 117 ILE CB C 117 38.767 38.767 41.944 -3.177 25554 8668 1 9 . 1 1 117 117 ILE H H 117 7.781 7.781 8.731 -0.950 25554 8669 1 9 . 1 1 118 118 VAL N N 118 119.009 119.009 124.747 -5.738 25554 8670 1 9 . 1 1 118 118 VAL C C 118 178.324 178.324 174.039 4.285 25554 8671 1 9 . 1 1 118 118 VAL CA C 118 62.777 62.777 60.468 2.309 25554 8672 1 9 . 1 1 118 118 VAL CB C 118 31.154 31.154 35.101 -3.947 25554 8673 1 9 . 1 1 118 118 VAL H H 118 8.767 8.767 8.776 -0.009 25554 8674 1 9 . 1 1 119 119 LEU N N 119 119.408 119.408 128.469 -9.061 25554 8675 1 9 . 1 1 119 119 LEU C C 119 178.031 178.031 174.603 3.428 25554 8676 1 9 . 1 1 119 119 LEU CA C 119 42.866 42.866 53.368 -10.502 25554 8677 1 9 . 1 1 119 119 LEU CB C 119 38.767 38.767 44.881 -6.114 25554 8678 1 9 . 1 1 119 119 LEU H H 119 7.734 7.734 8.724 -0.990 25554 8679 1 9 . 1 1 120 120 CYS N N 120 113.232 113.232 125.609 -12.377 25554 8680 1 9 . 1 1 120 120 CYS C C 120 178.031 178.031 173.541 4.490 25554 8681 1 9 . 1 1 120 120 CYS H H 120 8.317 8.317 9.127 -0.810 25554 8682 1 9 . 1 1 121 121 GLY N N 121 117.349 117.349 111.826 5.523 25554 8683 1 9 . 1 1 121 121 GLY C C 121 176.851 176.851 172.239 4.612 25554 8684 1 9 . 1 1 121 121 GLY CA C 121 41.109 41.109 43.542 -2.433 25554 8685 1 9 . 1 1 121 121 GLY H H 121 7.515 7.515 8.621 -1.106 25554 8686 1 9 . 1 1 122 122 ASN N N 122 125.318 125.318 124.723 0.595 25554 8687 1 9 . 1 1 122 122 ASN C C 122 175.686 175.686 174.956 0.730 25554 8688 1 9 . 1 1 122 122 ASN CA C 122 50.479 50.479 51.147 -0.668 25554 8689 1 9 . 1 1 122 122 ASN CB C 122 39.353 39.353 41.157 -1.804 25554 8690 1 9 . 1 1 122 122 ASN H H 122 9.162 9.162 8.431 0.731 25554 8691 1 9 . 1 1 123 123 LYS N N 123 124.920 124.920 118.975 5.945 25554 8692 1 9 . 1 1 123 123 LYS C C 123 176.566 176.566 177.312 -0.746 25554 8693 1 9 . 1 1 123 123 LYS CA C 123 70.976 70.976 57.376 13.600 25554 8694 1 9 . 1 1 123 123 LYS CB C 123 35.253 35.253 30.172 5.081 25554 8695 1 9 . 1 1 123 123 LYS H H 123 8.086 8.086 8.956 -0.870 25554 8696 1 9 . 1 1 124 124 VAL N N 124 125.517 125.517 112.625 12.892 25554 8697 1 9 . 1 1 124 124 VAL C C 124 177.738 177.738 176.567 1.171 25554 8698 1 9 . 1 1 124 124 VAL CA C 124 62.777 62.777 63.503 -0.726 25554 8699 1 9 . 1 1 124 124 VAL CB C 124 33.496 33.496 31.342 2.154 25554 8700 1 9 . 1 1 124 124 VAL H H 124 9.483 9.483 7.539 1.944 25554 8701 1 9 . 1 1 125 125 ASP N N 125 119.607 119.607 121.515 -1.908 25554 8702 1 9 . 1 1 125 125 ASP C C 125 176.566 176.566 177.120 -0.554 25554 8703 1 9 . 1 1 125 125 ASP CA C 125 55.750 55.750 56.519 -0.769 25554 8704 1 9 . 1 1 125 125 ASP CB C 125 40.524 40.524 40.691 -0.167 25554 8705 1 9 . 1 1 125 125 ASP H H 125 7.875 7.875 7.778 0.097 25554 8706 1 9 . 1 1 126 126 ILE N N 126 116.088 116.088 121.002 -4.914 25554 8707 1 9 . 1 1 126 126 ILE C C 126 177.152 177.152 176.946 0.206 25554 8708 1 9 . 1 1 126 126 ILE CA C 126 66.291 66.291 61.478 4.813 25554 8709 1 9 . 1 1 126 126 ILE CB C 126 39.353 39.353 38.532 0.821 25554 8710 1 9 . 1 1 126 126 ILE H H 126 7.511 7.511 7.305 0.206 25554 8711 1 9 . 1 1 127 127 LYS N N 127 117.681 117.681 125.079 -7.398 25554 8712 1 9 . 1 1 127 127 LYS C C 127 177.152 177.152 176.910 0.242 25554 8713 1 9 . 1 1 127 127 LYS CA C 127 57.507 57.507 58.563 -1.056 25554 8714 1 9 . 1 1 127 127 LYS CB C 127 31.154 31.154 32.685 -1.531 25554 8715 1 9 . 1 1 127 127 LYS H H 127 8.059 8.059 8.512 -0.453 25554 8716 1 9 . 1 1 128 128 ASP N N 128 118.279 118.279 119.241 -0.962 25554 8717 1 9 . 1 1 128 128 ASP C C 128 176.566 176.566 175.170 1.396 25554 8718 1 9 . 1 1 128 128 ASP CA C 128 53.407 53.407 53.229 0.178 25554 8719 1 9 . 1 1 128 128 ASP CB C 128 40.524 40.524 40.331 0.193 25554 8720 1 9 . 1 1 128 128 ASP H H 128 7.241 7.241 8.039 -0.798 25554 8721 1 9 . 1 1 129 129 ARG N N 129 118.943 118.943 125.725 -6.782 25554 8722 1 9 . 1 1 129 129 ARG C C 129 177.738 177.738 175.793 1.945 25554 8723 1 9 . 1 1 129 129 ARG CA C 129 45.794 45.794 55.876 -10.082 25554 8724 1 9 . 1 1 129 129 ARG CB C 129 31.154 31.154 31.032 0.121 25554 8725 1 9 . 1 1 129 129 ARG H H 129 8.423 8.423 8.012 0.411 25554 8726 1 9 . 1 1 130 130 LYS N N 130 109.381 109.381 124.068 -14.687 25554 8727 1 9 . 1 1 130 130 LYS C C 130 176.566 176.566 176.596 -0.030 25554 8728 1 9 . 1 1 130 130 LYS CA C 130 55.164 55.164 56.333 -1.169 25554 8729 1 9 . 1 1 130 130 LYS CB C 130 36.424 36.424 33.619 2.805 25554 8730 1 9 . 1 1 130 130 LYS H H 130 7.296 7.296 8.161 -0.865 25554 8731 1 9 . 1 1 131 131 VAL N N 131 110.377 110.377 120.901 -10.524 25554 8732 1 9 . 1 1 131 131 VAL C C 131 178.617 178.617 174.291 4.326 25554 8733 1 9 . 1 1 131 131 VAL CA C 131 65.705 65.705 62.336 3.369 25554 8734 1 9 . 1 1 131 131 VAL CB C 131 35.839 35.839 31.949 3.890 25554 8735 1 9 . 1 1 131 131 VAL H H 131 9.283 9.283 8.121 1.162 25554 8736 1 9 . 1 1 132 132 LYS N N 132 110.310 110.310 125.657 -15.347 25554 8737 1 9 . 1 1 132 132 LYS C C 132 176.273 176.273 177.060 -0.787 25554 8738 1 9 . 1 1 132 132 LYS CA C 132 59.849 59.849 54.275 5.574 25554 8739 1 9 . 1 1 132 132 LYS CB C 132 35.253 35.253 35.491 -0.238 25554 8740 1 9 . 1 1 132 132 LYS H H 132 9.709 9.709 7.798 1.911 25554 8741 1 9 . 1 1 133 133 ALA N N 133 134.349 134.349 124.943 9.406 25554 8742 1 9 . 1 1 133 133 ALA CA C 133 51.065 51.065 55.438 -4.373 25554 8743 1 9 . 1 1 133 133 ALA CB C 133 12.999 12.999 18.003 -5.005 25554 8744 1 9 . 1 1 133 133 ALA H H 133 6.322 6.322 8.872 -2.550 25554 8745 1 9 . 1 1 134 134 LYS N N 134 117.615 117.615 116.300 1.315 25554 8746 1 9 . 1 1 134 134 LYS C C 134 176.859 176.859 177.615 -0.756 25554 8747 1 9 . 1 1 134 134 LYS CA C 134 55.750 55.750 59.138 -3.388 25554 8748 1 9 . 1 1 134 134 LYS CB C 134 54.579 54.579 32.254 22.325 25554 8749 1 9 . 1 1 134 134 LYS H H 134 6.549 6.549 8.402 -1.853 25554 8750 1 9 . 1 1 135 135 SER N N 135 109.314 109.314 111.233 -1.919 25554 8751 1 9 . 1 1 135 135 SER C C 135 173.635 173.635 174.784 -1.149 25554 8752 1 9 . 1 1 135 135 SER CA C 135 56.336 56.336 58.773 -2.437 25554 8753 1 9 . 1 1 135 135 SER CB C 135 63.949 63.949 63.561 0.388 25554 8754 1 9 . 1 1 135 135 SER H H 135 7.840 7.840 7.586 0.254 25554 8755 1 9 . 1 1 136 136 ILE N N 136 124.123 124.123 124.741 -0.618 25554 8756 1 9 . 1 1 136 136 ILE C C 136 175.100 175.100 176.257 -1.157 25554 8757 1 9 . 1 1 136 136 ILE CA C 136 68.634 68.634 60.263 8.371 25554 8758 1 9 . 1 1 136 136 ILE CB C 136 43.452 43.452 34.991 8.461 25554 8759 1 9 . 1 1 136 136 ILE H H 136 8.098 8.098 7.248 0.850 25554 8760 1 9 . 1 1 137 137 VAL N N 137 113.232 113.232 119.712 -6.480 25554 8761 1 9 . 1 1 137 137 VAL C C 137 176.859 176.859 176.903 -0.044 25554 8762 1 9 . 1 1 137 137 VAL CA C 137 64.534 64.534 62.529 2.005 25554 8763 1 9 . 1 1 137 137 VAL CB C 137 34.082 34.082 32.390 1.692 25554 8764 1 9 . 1 1 137 137 VAL H H 137 7.711 7.711 7.680 0.031 25554 8765 1 9 . 1 1 138 138 PHE N N 138 118.279 118.279 122.361 -4.082 25554 8766 1 9 . 1 1 138 138 PHE C C 138 175.393 175.393 176.519 -1.126 25554 8767 1 9 . 1 1 138 138 PHE CA C 138 58.092 58.092 62.059 -3.967 25554 8768 1 9 . 1 1 138 138 PHE CB C 138 39.353 39.353 39.264 0.089 25554 8769 1 9 . 1 1 138 138 PHE H H 138 8.317 8.317 8.409 -0.092 25554 8770 1 9 . 1 1 139 139 HIS N N 139 107.654 107.654 115.718 -8.064 25554 8771 1 9 . 1 1 139 139 HIS C C 139 175.979 175.979 177.216 -1.237 25554 8772 1 9 . 1 1 139 139 HIS CA C 139 53.993 53.993 59.255 -5.262 25554 8773 1 9 . 1 1 139 139 HIS CB C 139 28.811 28.811 28.926 -0.115 25554 8774 1 9 . 1 1 139 139 HIS H H 139 8.016 8.016 8.795 -0.779 25554 8775 1 9 . 1 1 140 140 ARG N N 140 117.084 117.084 118.667 -1.583 25554 8776 1 9 . 1 1 140 140 ARG C C 140 176.859 176.859 178.062 -1.203 25554 8777 1 9 . 1 1 140 140 ARG CA C 140 57.507 57.507 58.505 -0.998 25554 8778 1 9 . 1 1 140 140 ARG CB C 140 31.739 31.739 29.856 1.883 25554 8779 1 9 . 1 1 140 140 ARG H H 140 8.763 8.763 6.666 2.097 25554 8780 1 9 . 1 1 141 141 LYS N N 141 115.623 115.623 117.061 -1.438 25554 8781 1 9 . 1 1 141 141 LYS C C 141 173.635 173.635 178.030 -4.395 25554 8782 1 9 . 1 1 141 141 LYS CA C 141 58.092 58.092 58.674 -0.582 25554 8783 1 9 . 1 1 141 141 LYS CB C 141 33.496 33.496 32.243 1.253 25554 8784 1 9 . 1 1 141 141 LYS H H 141 7.449 7.449 7.229 0.220 25554 8785 1 9 . 1 1 142 142 LYS N N 142 114.162 114.162 114.706 -0.544 25554 8786 1 9 . 1 1 142 142 LYS C C 142 175.979 175.979 176.426 -0.447 25554 8787 1 9 . 1 1 142 142 LYS CA C 142 51.065 51.065 54.839 -3.774 25554 8788 1 9 . 1 1 142 142 LYS CB C 142 34.668 34.668 32.391 2.277 25554 8789 1 9 . 1 1 142 142 LYS H H 142 8.982 8.982 7.536 1.446 25554 8790 1 9 . 1 1 143 143 ASN N N 143 112.103 112.103 115.002 -2.899 25554 8791 1 9 . 1 1 143 143 ASN C C 143 175.100 175.100 174.692 0.408 25554 8792 1 9 . 1 1 143 143 ASN CA C 143 53.407 53.407 53.761 -0.353 25554 8793 1 9 . 1 1 143 143 ASN CB C 143 39.938 39.938 36.803 3.135 25554 8794 1 9 . 1 1 143 143 ASN H H 143 7.402 7.402 8.237 -0.835 25554 8795 1 9 . 1 1 144 144 LEU N N 144 118.810 118.810 118.071 0.739 25554 8796 1 9 . 1 1 144 144 LEU CA C 144 53.993 53.993 55.064 -1.071 25554 8797 1 9 . 1 1 144 144 LEU CB C 144 42.866 42.866 43.009 -0.143 25554 8798 1 9 . 1 1 144 144 LEU H H 144 7.793 7.793 7.494 0.299 25554 8799 1 9 . 1 1 145 145 GLN N N 145 119.607 119.607 119.322 0.285 25554 8800 1 9 . 1 1 145 145 GLN C C 145 176.859 176.859 173.890 2.969 25554 8801 1 9 . 1 1 145 145 GLN CA C 145 55.164 55.164 53.886 1.278 25554 8802 1 9 . 1 1 145 145 GLN CB C 145 29.983 29.983 30.188 -0.205 25554 8803 1 9 . 1 1 145 145 GLN H H 145 7.014 7.014 7.768 -0.754 25554 8804 1 9 . 1 1 146 146 TYR N N 146 119.275 119.275 127.291 -8.016 25554 8805 1 9 . 1 1 146 146 TYR C C 146 174.807 174.807 174.219 0.588 25554 8806 1 9 . 1 1 146 146 TYR CA C 146 62.777 62.777 56.185 6.591 25554 8807 1 9 . 1 1 146 146 TYR CB C 146 41.109 41.109 40.564 0.545 25554 8808 1 9 . 1 1 146 146 TYR H H 146 9.350 9.350 8.158 1.192 25554 8809 1 9 . 1 1 147 147 TYR N N 147 123.658 123.658 125.832 -2.174 25554 8810 1 9 . 1 1 147 147 TYR C C 147 177.738 177.738 173.871 3.867 25554 8811 1 9 . 1 1 147 147 TYR CA C 147 58.092 58.092 56.298 1.794 25554 8812 1 9 . 1 1 147 147 TYR CB C 147 39.938 39.938 42.174 -2.236 25554 8813 1 9 . 1 1 147 147 TYR H H 147 8.340 8.340 8.314 0.026 25554 8814 1 9 . 1 1 148 148 ASP N N 148 121.267 121.267 122.867 -1.600 25554 8815 1 9 . 1 1 148 148 ASP C C 148 176.859 176.859 174.627 2.232 25554 8816 1 9 . 1 1 148 148 ASP CA C 148 54.579 54.579 54.217 0.362 25554 8817 1 9 . 1 1 148 148 ASP CB C 148 41.109 41.109 41.557 -0.448 25554 8818 1 9 . 1 1 148 148 ASP H H 148 8.911 8.911 8.502 0.409 25554 8819 1 9 . 1 1 149 149 ILE N N 149 119.607 119.607 123.120 -3.513 25554 8820 1 9 . 1 1 149 149 ILE C C 149 174.807 174.807 173.800 1.007 25554 8821 1 9 . 1 1 149 149 ILE CA C 149 61.020 61.020 59.736 1.284 25554 8822 1 9 . 1 1 149 149 ILE CB C 149 39.353 39.353 42.195 -2.842 25554 8823 1 9 . 1 1 149 149 ILE H H 149 8.712 8.712 8.785 -0.073 25554 8824 1 9 . 1 1 150 150 SER N N 150 117.349 117.349 123.944 -6.595 25554 8825 1 9 . 1 1 150 150 SER C C 150 175.686 175.686 173.936 1.750 25554 8826 1 9 . 1 1 150 150 SER CA C 150 60.435 60.435 56.786 3.649 25554 8827 1 9 . 1 1 150 150 SER CB C 150 62.192 62.192 65.049 -2.857 25554 8828 1 9 . 1 1 150 150 SER H H 150 8.454 8.454 9.100 -0.646 25554 8829 1 9 . 1 1 151 151 ALA N N 151 131.162 131.162 130.453 0.709 25554 8830 1 9 . 1 1 151 151 ALA C C 151 160.742 160.742 178.969 -18.227 25554 8831 1 9 . 1 1 151 151 ALA CA C 151 53.993 53.993 55.796 -1.803 25554 8832 1 9 . 1 1 151 151 ALA CB C 151 22.369 22.369 18.953 3.416 25554 8833 1 9 . 1 1 151 151 ALA H H 151 10.640 10.640 8.994 1.646 25554 8834 1 9 . 1 1 152 152 LYS N N 152 121.400 121.400 117.394 4.006 25554 8835 1 9 . 1 1 152 152 LYS C C 152 174.221 174.221 178.475 -4.254 25554 8836 1 9 . 1 1 152 152 LYS CA C 152 59.849 59.849 59.617 0.232 25554 8837 1 9 . 1 1 152 152 LYS CB C 152 34.668 34.668 32.192 2.476 25554 8838 1 9 . 1 1 152 152 LYS H H 152 9.099 9.099 8.601 0.498 25554 8839 1 9 . 1 1 153 153 SER N N 153 115.212 115.212 112.250 2.962 25554 8840 1 9 . 1 1 153 153 SER C C 153 177.152 177.152 174.375 2.777 25554 8841 1 9 . 1 1 153 153 SER CA C 153 62.192 62.192 58.174 4.018 25554 8842 1 9 . 1 1 153 153 SER CB C 153 66.291 66.291 63.151 3.139 25554 8843 1 9 . 1 1 153 153 SER H H 153 8.935 8.935 7.901 1.034 25554 8844 1 9 . 1 1 154 154 ASN N N 154 119.341 119.341 118.470 0.871 25554 8845 1 9 . 1 1 154 154 ASN C C 154 175.979 175.979 173.778 2.201 25554 8846 1 9 . 1 1 154 154 ASN CA C 154 49.894 49.894 54.726 -4.832 25554 8847 1 9 . 1 1 154 154 ASN CB C 154 39.353 39.353 36.684 2.669 25554 8848 1 9 . 1 1 154 154 ASN H H 154 7.488 7.488 7.766 -0.278 25554 8849 1 9 . 1 1 155 155 TYR N N 155 113.498 113.498 122.334 -8.836 25554 8850 1 9 . 1 1 155 155 TYR C C 155 173.928 173.928 174.920 -0.992 25554 8851 1 9 . 1 1 155 155 TYR CA C 155 56.336 56.336 58.687 -2.350 25554 8852 1 9 . 1 1 155 155 TYR CB C 155 37.596 37.596 39.530 -1.934 25554 8853 1 9 . 1 1 155 155 TYR H H 155 6.486 6.486 8.387 -1.901 25554 8854 1 9 . 1 1 156 156 ASN N N 156 122.396 122.396 123.861 -1.465 25554 8855 1 9 . 1 1 156 156 ASN C C 156 175.979 175.979 175.120 0.859 25554 8856 1 9 . 1 1 156 156 ASN CA C 156 51.651 51.651 54.150 -2.499 25554 8857 1 9 . 1 1 156 156 ASN CB C 156 38.767 38.767 36.547 2.220 25554 8858 1 9 . 1 1 156 156 ASN H H 156 8.352 8.352 8.915 -0.563 25554 8859 1 9 . 1 1 157 157 PHE N N 157 123.459 123.459 118.870 4.589 25554 8860 1 9 . 1 1 157 157 PHE C C 157 174.221 174.221 176.801 -2.580 25554 8861 1 9 . 1 1 157 157 PHE CA C 157 57.507 57.507 60.946 -3.439 25554 8862 1 9 . 1 1 157 157 PHE CB C 157 39.353 39.353 39.442 -0.089 25554 8863 1 9 . 1 1 157 157 PHE H H 157 7.429 7.429 8.196 -0.767 25554 8864 1 9 . 1 1 158 158 GLU N N 158 112.568 112.568 119.156 -6.588 25554 8865 1 9 . 1 1 158 158 GLU C C 158 176.566 176.566 178.217 -1.651 25554 8866 1 9 . 1 1 158 158 GLU CA C 158 72.147 72.147 59.482 12.665 25554 8867 1 9 . 1 1 158 158 GLU CB C 158 27.640 27.640 29.194 -1.554 25554 8868 1 9 . 1 1 158 158 GLU H H 158 7.495 7.495 8.847 -1.352 25554 8869 1 9 . 1 1 159 159 LYS N N 159 113.232 113.232 118.130 -4.898 25554 8870 1 9 . 1 1 159 159 LYS C C 159 176.566 176.566 176.234 0.332 25554 8871 1 9 . 1 1 159 159 LYS CA C 159 53.993 53.993 60.062 -6.069 25554 8872 1 9 . 1 1 159 159 LYS CB C 159 33.496 33.496 29.270 4.226 25554 8873 1 9 . 1 1 159 159 LYS H H 159 6.862 6.862 7.190 -0.328 25554 8874 1 9 . 1 1 160 160 PRO C C 160 176.273 176.273 178.664 -2.391 25554 8875 1 9 . 1 1 160 160 PRO CA C 160 64.258 64.258 65.660 -1.403 25554 8876 1 9 . 1 1 160 160 PRO CB C 160 32.318 32.318 31.054 1.264 25554 8877 1 9 . 1 1 161 161 PHE N N 161 120.271 120.271 116.069 4.202 25554 8878 1 9 . 1 1 161 161 PHE C C 161 175.100 175.100 177.597 -2.497 25554 8879 1 9 . 1 1 161 161 PHE CA C 161 56.336 56.336 61.645 -5.309 25554 8880 1 9 . 1 1 161 161 PHE CB C 161 39.353 39.353 37.990 1.363 25554 8881 1 9 . 1 1 161 161 PHE H H 161 8.074 8.074 7.138 0.936 25554 8882 1 9 . 1 1 162 162 LEU N N 162 110.177 110.177 120.496 -10.319 25554 8883 1 9 . 1 1 162 162 LEU C C 162 176.273 176.273 178.078 -1.805 25554 8884 1 9 . 1 1 162 162 LEU CA C 162 55.750 55.750 58.062 -2.312 25554 8885 1 9 . 1 1 162 162 LEU CB C 162 44.037 44.037 41.072 2.965 25554 8886 1 9 . 1 1 162 162 LEU H H 162 7.527 7.527 8.164 -0.637 25554 8887 1 9 . 1 1 163 163 TRP N N 163 123.525 123.525 120.993 2.532 25554 8888 1 9 . 1 1 163 163 TRP C C 163 177.152 177.152 178.190 -1.038 25554 8889 1 9 . 1 1 163 163 TRP CA C 163 61.606 61.606 62.465 -0.859 25554 8890 1 9 . 1 1 163 163 TRP CB C 163 28.811 28.811 29.576 -0.765 25554 8891 1 9 . 1 1 163 163 TRP H H 163 7.476 7.476 7.989 -0.513 25554 8892 1 9 . 1 1 164 164 LEU N N 164 119.740 119.740 118.987 0.753 25554 8893 1 9 . 1 1 164 164 LEU C C 164 175.686 175.686 179.111 -3.425 25554 8894 1 9 . 1 1 164 164 LEU CA C 164 61.020 61.020 57.967 3.053 25554 8895 1 9 . 1 1 164 164 LEU CB C 164 45.794 45.794 41.553 4.241 25554 8896 1 9 . 1 1 164 164 LEU H H 164 9.412 9.412 8.083 1.329 25554 8897 1 9 . 1 1 165 165 ALA N N 165 118.013 118.013 121.714 -3.701 25554 8898 1 9 . 1 1 165 165 ALA C C 165 165.723 165.723 179.616 -13.893 25554 8899 1 9 . 1 1 165 165 ALA CA C 165 52.236 52.236 55.381 -3.145 25554 8900 1 9 . 1 1 165 165 ALA CB C 165 21.784 21.784 18.345 3.439 25554 8901 1 9 . 1 1 165 165 ALA H H 165 7.707 7.707 8.627 -0.920 25554 8902 1 9 . 1 1 166 166 ARG N N 166 122.994 122.994 118.249 4.745 25554 8903 1 9 . 1 1 166 166 ARG C C 166 175.979 175.979 178.921 -2.942 25554 8904 1 9 . 1 1 166 166 ARG CA C 166 49.308 49.308 59.362 -10.054 25554 8905 1 9 . 1 1 166 166 ARG CB C 166 29.397 29.397 30.098 -0.701 25554 8906 1 9 . 1 1 166 166 ARG H H 166 8.692 8.692 8.258 0.434 25554 8907 1 9 . 1 1 167 167 LYS N N 167 112.568 112.568 119.277 -6.709 25554 8908 1 9 . 1 1 167 167 LYS C C 167 176.273 176.273 179.114 -2.841 25554 8909 1 9 . 1 1 167 167 LYS CA C 167 58.092 58.092 58.455 -0.363 25554 8910 1 9 . 1 1 167 167 LYS CB C 167 34.668 34.668 31.581 3.087 25554 8911 1 9 . 1 1 167 167 LYS H H 167 6.819 6.819 7.669 -0.850 25554 8912 1 9 . 1 1 168 168 LEU N N 168 114.959 114.959 119.170 -4.211 25554 8913 1 9 . 1 1 168 168 LEU C C 168 177.738 177.738 179.068 -1.330 25554 8914 1 9 . 1 1 168 168 LEU CA C 168 56.921 56.921 57.236 -0.315 25554 8915 1 9 . 1 1 168 168 LEU CB C 168 41.695 41.695 41.477 0.217 25554 8916 1 9 . 1 1 168 168 LEU H H 168 7.269 7.269 7.895 -0.626 25554 8917 1 9 . 1 1 169 169 ILE N N 169 124.986 124.986 117.467 7.519 25554 8918 1 9 . 1 1 169 169 ILE C C 169 171.877 171.877 177.266 -5.389 25554 8919 1 9 . 1 1 169 169 ILE CA C 169 68.048 68.048 63.281 4.767 25554 8920 1 9 . 1 1 169 169 ILE CB C 169 39.353 39.353 38.560 0.793 25554 8921 1 9 . 1 1 169 169 ILE H H 169 8.915 8.915 8.111 0.804 25554 8922 1 9 . 1 1 170 170 GLY N N 170 113.099 113.099 107.072 6.027 25554 8923 1 9 . 1 1 170 170 GLY C C 170 162.496 162.496 174.041 -11.545 25554 8924 1 9 . 1 1 170 170 GLY CA C 170 44.037 44.037 45.087 -1.050 25554 8925 1 9 . 1 1 170 170 GLY H H 170 6.686 6.686 8.065 -1.379 25554 8926 1 9 . 1 1 171 171 ASP N N 171 113.232 113.232 121.317 -8.085 25554 8927 1 9 . 1 1 171 171 ASP C C 171 178.910 178.910 175.621 3.289 25554 8928 1 9 . 1 1 171 171 ASP CA C 171 50.479 50.479 50.470 0.009 25554 8929 1 9 . 1 1 171 171 ASP CB C 171 41.109 41.109 41.479 -0.370 25554 8930 1 9 . 1 1 171 171 ASP H H 171 6.815 6.815 8.024 -1.209 25554 8931 1 9 . 1 1 172 172 PRO C C 172 176.566 176.566 177.053 -0.487 25554 8932 1 9 . 1 1 172 172 PRO CA C 172 63.965 63.965 64.428 -0.463 25554 8933 1 9 . 1 1 172 172 PRO CB C 172 31.732 31.732 32.103 -0.371 25554 8934 1 9 . 1 1 173 173 ASN N N 173 109.779 109.779 114.320 -4.541 25554 8935 1 9 . 1 1 173 173 ASN C C 173 175.979 175.979 176.008 -0.029 25554 8936 1 9 . 1 1 173 173 ASN CA C 173 54.579 54.579 53.679 0.900 25554 8937 1 9 . 1 1 173 173 ASN CB C 173 36.424 36.424 38.626 -2.202 25554 8938 1 9 . 1 1 173 173 ASN H H 173 8.016 8.016 8.256 -0.240 25554 8939 1 9 . 1 1 174 174 LEU N N 174 109.248 109.248 122.750 -13.502 25554 8940 1 9 . 1 1 174 174 LEU C C 174 176.566 176.566 175.358 1.208 25554 8941 1 9 . 1 1 174 174 LEU CA C 174 56.336 56.336 56.075 0.261 25554 8942 1 9 . 1 1 174 174 LEU CB C 174 44.037 44.037 42.583 1.454 25554 8943 1 9 . 1 1 174 174 LEU H H 174 7.871 7.871 7.329 0.542 25554 8944 1 9 . 1 1 175 175 GLU N N 175 125.185 125.185 124.504 0.681 25554 8945 1 9 . 1 1 175 175 GLU C C 175 177.445 177.445 174.847 2.598 25554 8946 1 9 . 1 1 175 175 GLU CA C 175 76.247 76.247 55.123 21.125 25554 8947 1 9 . 1 1 175 175 GLU CB C 175 28.811 28.811 34.179 -5.368 25554 8948 1 9 . 1 1 175 175 GLU H H 175 9.127 9.127 8.506 0.621 25554 8949 1 9 . 1 1 176 176 PHE N N 176 136.873 136.873 121.792 15.081 25554 8950 1 9 . 1 1 176 176 PHE C C 176 178.617 178.617 175.912 2.705 25554 8951 1 9 . 1 1 176 176 PHE CA C 176 59.264 59.264 56.373 2.891 25554 8952 1 9 . 1 1 176 176 PHE CB C 176 44.623 44.623 39.274 5.349 25554 8953 1 9 . 1 1 176 176 PHE H H 176 10.058 10.058 9.036 1.022 25554 8954 1 9 . 1 1 177 177 VAL N N 177 118.877 118.877 125.096 -6.219 25554 8955 1 9 . 1 1 177 177 VAL C C 177 177.445 177.445 175.328 2.117 25554 8956 1 9 . 1 1 177 177 VAL CA C 177 62.777 62.777 63.768 -0.991 25554 8957 1 9 . 1 1 177 177 VAL CB C 177 34.668 34.668 32.980 1.688 25554 8958 1 9 . 1 1 177 177 VAL H H 177 7.789 7.789 9.264 -1.475 25554 8959 1 9 . 1 1 178 178 ALA N N 178 128.904 128.904 121.064 7.840 25554 8960 1 9 . 1 1 178 178 ALA CA C 178 57.507 57.507 51.006 6.501 25554 8961 1 9 . 1 1 178 178 ALA CB C 178 19.441 19.441 21.685 -2.244 25554 8962 1 9 . 1 1 178 178 ALA H H 178 7.566 7.566 7.946 -0.380 25554 8963 1 9 . 1 1 179 179 MET N N 179 120.736 120.736 122.467 -1.731 25554 8964 1 9 . 1 1 179 179 MET C C 179 176.859 176.859 174.616 2.243 25554 8965 1 9 . 1 1 179 179 MET CA C 179 56.336 56.336 52.899 3.437 25554 8966 1 9 . 1 1 179 179 MET CB C 179 34.668 34.668 32.940 1.728 25554 8967 1 9 . 1 1 179 179 MET H H 179 7.930 7.930 8.627 -0.698 25554 8968 1 9 . 1 1 180 180 PRO C C 180 177.445 177.445 175.654 1.791 25554 8969 1 9 . 1 1 180 180 PRO CA C 180 64.844 64.844 62.394 2.450 25554 8970 1 9 . 1 1 180 180 PRO CB C 180 29.974 29.974 32.464 -2.490 25554 8971 1 9 . 1 1 181 181 ALA N N 181 128.439 128.439 123.942 4.497 25554 8972 1 9 . 1 1 181 181 ALA C C 181 176.273 176.273 176.034 0.239 25554 8973 1 9 . 1 1 181 181 ALA CA C 181 58.092 58.092 52.392 5.699 25554 8974 1 9 . 1 1 181 181 ALA CB C 181 21.198 21.198 19.200 1.998 25554 8975 1 9 . 1 1 181 181 ALA H H 181 8.673 8.673 8.211 0.462 25554 8976 1 9 . 1 1 182 182 LEU N N 182 122.130 122.130 123.326 -1.196 25554 8977 1 9 . 1 1 182 182 LEU C C 182 177.445 177.445 176.877 0.568 25554 8978 1 9 . 1 1 182 182 LEU CA C 182 55.164 55.164 52.654 2.510 25554 8979 1 9 . 1 1 182 182 LEU CB C 182 42.866 42.866 45.138 -2.272 25554 8980 1 9 . 1 1 182 182 LEU H H 182 8.821 8.821 8.036 0.785 25554 8981 1 9 . 1 1 183 183 ALA N N 183 108.783 108.783 125.382 -16.599 25554 8982 1 9 . 1 1 183 183 ALA C C 183 160.742 160.742 175.329 -14.587 25554 8983 1 9 . 1 1 183 183 ALA CA C 183 51.651 51.651 50.392 1.259 25554 8984 1 9 . 1 1 183 183 ALA CB C 183 18.856 18.856 18.126 0.730 25554 8985 1 9 . 1 1 183 183 ALA H H 183 7.621 7.621 8.289 -0.668 25554 8986 1 9 . 1 1 184 184 PRO C C 184 177.152 177.152 174.861 2.291 25554 8987 1 9 . 1 1 184 184 PRO CA C 184 64.258 64.258 61.980 2.278 25554 8988 1 9 . 1 1 184 184 PRO CB C 184 29.681 29.681 31.518 -1.837 25554 8989 1 9 . 1 1 185 185 PRO C C 185 175.686 175.686 177.031 -1.345 25554 8990 1 9 . 1 1 185 185 PRO CA C 185 63.379 63.379 63.163 0.216 25554 8991 1 9 . 1 1 185 185 PRO CB C 185 35.248 35.248 32.250 2.998 25554 8992 1 9 . 1 1 186 186 GLU N N 186 104.931 104.931 123.754 -18.823 25554 8993 1 9 . 1 1 186 186 GLU C C 186 174.221 174.221 176.352 -2.131 25554 8994 1 9 . 1 1 186 186 GLU CA C 186 57.507 57.507 58.473 -0.966 25554 8995 1 9 . 1 1 186 186 GLU CB C 186 31.739 31.739 30.186 1.553 25554 8996 1 9 . 1 1 186 186 GLU H H 186 8.673 8.673 8.895 -0.222 25554 8997 1 9 . 1 1 187 187 VAL N N 187 124.455 124.455 118.390 6.065 25554 8998 1 9 . 1 1 187 187 VAL C C 187 178.910 178.910 174.254 4.656 25554 8999 1 9 . 1 1 187 187 VAL CA C 187 63.363 63.363 60.628 2.735 25554 9000 1 9 . 1 1 187 187 VAL CB C 187 34.082 34.082 35.530 -1.448 25554 9001 1 9 . 1 1 187 187 VAL H H 187 8.622 8.622 7.475 1.147 25554 9002 1 9 . 1 1 188 188 VAL N N 188 128.572 128.572 124.028 4.544 25554 9003 1 9 . 1 1 188 188 VAL C C 188 178.324 178.324 174.992 3.332 25554 9004 1 9 . 1 1 188 188 VAL CA C 188 68.634 68.634 61.412 7.222 25554 9005 1 9 . 1 1 188 188 VAL CB C 188 31.154 31.154 32.668 -1.514 25554 9006 1 9 . 1 1 188 188 VAL H H 188 8.497 8.497 8.293 0.204 25554 9007 1 9 . 1 1 189 189 MET N N 189 122.795 122.795 127.212 -4.417 25554 9008 1 9 . 1 1 189 189 MET C C 189 177.445 177.445 175.159 2.286 25554 9009 1 9 . 1 1 189 189 MET CA C 189 55.164 55.164 55.141 0.023 25554 9010 1 9 . 1 1 189 189 MET CB C 189 35.253 35.253 33.333 1.920 25554 9011 1 9 . 1 1 189 189 MET H H 189 6.991 6.991 8.485 -1.494 25554 9012 1 9 . 1 1 190 190 ASP N N 190 114.959 114.959 128.258 -13.299 25554 9013 1 9 . 1 1 190 190 ASP C C 190 175.686 175.686 175.608 0.078 25554 9014 1 9 . 1 1 190 190 ASP CA C 190 51.065 51.065 52.036 -0.971 25554 9015 1 9 . 1 1 190 190 ASP CB C 190 41.695 41.695 42.234 -0.539 25554 9016 1 9 . 1 1 190 190 ASP H H 190 7.210 7.210 8.508 -1.298 25554 9017 1 9 . 1 1 191 191 PRO C C 191 176.566 176.566 177.944 -1.378 25554 9018 1 9 . 1 1 191 191 PRO CA C 191 63.965 63.965 65.198 -1.233 25554 9019 1 9 . 1 1 191 191 PRO CB C 191 31.146 31.146 31.743 -0.597 25554 9020 1 9 . 1 1 192 192 ALA N N 192 109.513 109.513 119.405 -9.892 25554 9021 1 9 . 1 1 192 192 ALA CA C 192 53.993 53.993 54.745 -0.752 25554 9022 1 9 . 1 1 192 192 ALA CB C 192 19.441 19.441 18.098 1.343 25554 9023 1 9 . 1 1 192 192 ALA H H 192 7.394 7.394 7.791 -0.397 25554 9024 1 9 . 1 1 193 193 LEU N N 193 119.009 119.009 120.639 -1.630 25554 9025 1 9 . 1 1 193 193 LEU C C 193 175.979 175.979 178.206 -2.227 25554 9026 1 9 . 1 1 193 193 LEU CA C 193 56.336 56.336 57.046 -0.710 25554 9027 1 9 . 1 1 193 193 LEU CB C 193 42.866 42.866 41.378 1.488 25554 9028 1 9 . 1 1 193 193 LEU H H 193 8.340 8.340 7.655 0.685 25554 9029 1 9 . 1 1 194 194 ALA N N 194 121.666 121.666 121.632 0.034 25554 9030 1 9 . 1 1 194 194 ALA C C 194 166.896 166.896 179.248 -12.352 25554 9031 1 9 . 1 1 194 194 ALA CA C 194 55.164 55.164 54.949 0.215 25554 9032 1 9 . 1 1 194 194 ALA CB C 194 16.513 16.513 18.051 -1.538 25554 9033 1 9 . 1 1 194 194 ALA H H 194 8.176 8.176 8.067 0.109 25554 9034 1 9 . 1 1 195 195 ALA N N 195 119.541 119.541 121.165 -1.624 25554 9035 1 9 . 1 1 195 195 ALA C C 195 173.928 173.928 179.249 -5.321 25554 9036 1 9 . 1 1 195 195 ALA CA C 195 57.507 57.507 55.197 2.309 25554 9037 1 9 . 1 1 195 195 ALA CB C 195 19.441 19.441 18.276 1.165 25554 9038 1 9 . 1 1 195 195 ALA H H 195 8.364 8.364 8.435 -0.071 25554 9039 1 9 . 1 1 196 196 GLN N N 196 107.322 107.322 119.146 -11.824 25554 9040 1 9 . 1 1 196 196 GLN C C 196 176.273 176.273 178.145 -1.872 25554 9041 1 9 . 1 1 196 196 GLN CA C 196 56.921 56.921 58.961 -2.040 25554 9042 1 9 . 1 1 196 196 GLN CB C 196 29.983 29.983 28.670 1.313 25554 9043 1 9 . 1 1 196 196 GLN H H 196 7.910 7.910 7.955 -0.045 25554 9044 1 9 . 1 1 197 197 TYR N N 197 115.623 115.623 119.282 -3.659 25554 9045 1 9 . 1 1 197 197 TYR CA C 197 67.462 67.462 59.352 8.110 25554 9046 1 9 . 1 1 197 197 TYR CB C 197 41.695 41.695 37.851 3.844 25554 9047 1 9 . 1 1 197 197 TYR H H 197 8.196 8.196 8.341 -0.145 25554 9048 1 9 . 1 1 198 198 GLU N N 198 110.244 110.244 119.002 -8.758 25554 9049 1 9 . 1 1 198 198 GLU C C 198 176.273 176.273 179.034 -2.761 25554 9050 1 9 . 1 1 198 198 GLU CA C 198 53.407 53.407 59.550 -6.143 25554 9051 1 9 . 1 1 198 198 GLU CB C 198 30.568 30.568 29.194 1.374 25554 9052 1 9 . 1 1 198 198 GLU H H 198 7.523 7.523 8.275 -0.752 25554 9053 1 9 . 1 1 199 199 HIS N N 199 118.611 118.611 119.979 -1.368 25554 9054 1 9 . 1 1 199 199 HIS C C 199 175.686 175.686 177.275 -1.589 25554 9055 1 9 . 1 1 199 199 HIS CA C 199 56.921 56.921 59.726 -2.805 25554 9056 1 9 . 1 1 199 199 HIS CB C 199 28.226 28.226 29.947 -1.721 25554 9057 1 9 . 1 1 199 199 HIS H H 199 8.512 8.512 8.285 0.227 25554 9058 1 9 . 1 1 200 200 ASP N N 200 120.736 120.736 120.495 0.241 25554 9059 1 9 . 1 1 200 200 ASP C C 200 176.273 176.273 178.802 -2.529 25554 9060 1 9 . 1 1 200 200 ASP CA C 200 56.921 56.921 57.471 -0.549 25554 9061 1 9 . 1 1 200 200 ASP CB C 200 40.524 40.524 40.546 -0.022 25554 9062 1 9 . 1 1 200 200 ASP H H 200 7.519 7.519 8.695 -1.176 25554 9063 1 9 . 1 1 201 201 LEU N N 201 116.353 116.353 121.077 -4.724 25554 9064 1 9 . 1 1 201 201 LEU C C 201 178.910 178.910 178.337 0.573 25554 9065 1 9 . 1 1 201 201 LEU CA C 201 61.606 61.606 58.229 3.377 25554 9066 1 9 . 1 1 201 201 LEU CB C 201 41.109 41.109 42.052 -0.943 25554 9067 1 9 . 1 1 201 201 LEU H H 201 7.722 7.722 8.382 -0.660 25554 9068 1 9 . 1 1 202 202 GLU N N 202 118.080 118.080 119.612 -1.532 25554 9069 1 9 . 1 1 202 202 GLU C C 202 176.566 176.566 179.194 -2.628 25554 9070 1 9 . 1 1 202 202 GLU CA C 202 56.921 56.921 59.924 -3.003 25554 9071 1 9 . 1 1 202 202 GLU CB C 202 30.568 30.568 29.558 1.010 25554 9072 1 9 . 1 1 202 202 GLU H H 202 8.857 8.857 8.120 0.737 25554 9073 1 9 . 1 1 203 203 VAL N N 203 129.369 129.369 120.088 9.281 25554 9074 1 9 . 1 1 203 203 VAL C C 203 178.617 178.617 177.765 0.852 25554 9075 1 9 . 1 1 203 203 VAL CA C 203 64.534 64.534 66.219 -1.685 25554 9076 1 9 . 1 1 203 203 VAL CB C 203 27.640 27.640 31.520 -3.880 25554 9077 1 9 . 1 1 203 203 VAL H H 203 9.283 9.283 7.955 1.328 25554 9078 1 9 . 1 1 204 204 ALA N N 204 109.580 109.580 122.673 -13.093 25554 9079 1 9 . 1 1 204 204 ALA C C 204 176.859 176.859 179.946 -3.087 25554 9080 1 9 . 1 1 204 204 ALA CA C 204 54.579 54.579 55.063 -0.484 25554 9081 1 9 . 1 1 204 204 ALA CB C 204 18.270 18.270 18.477 -0.207 25554 9082 1 9 . 1 1 204 204 ALA H H 204 8.528 8.528 8.336 0.192 25554 9083 1 9 . 1 1 205 205 GLN N N 205 115.756 115.756 116.689 -0.933 25554 9084 1 9 . 1 1 205 205 GLN C C 205 175.979 175.979 178.508 -2.529 25554 9085 1 9 . 1 1 205 205 GLN CA C 205 48.137 48.137 58.285 -10.149 25554 9086 1 9 . 1 1 205 205 GLN CB C 205 25.883 25.883 28.468 -2.585 25554 9087 1 9 . 1 1 205 205 GLN H H 205 7.973 7.973 8.321 -0.348 25554 9088 1 9 . 1 1 206 206 THR N N 206 120.271 120.271 114.951 5.320 25554 9089 1 9 . 1 1 206 206 THR C C 206 176.273 176.273 175.879 0.394 25554 9090 1 9 . 1 1 206 206 THR CA C 206 67.462 67.462 65.656 1.806 25554 9091 1 9 . 1 1 206 206 THR CB C 206 70.390 70.390 69.533 0.857 25554 9092 1 9 . 1 1 206 206 THR H H 206 7.585 7.585 7.898 -0.313 25554 9093 1 9 . 1 1 207 207 THR N N 207 111.970 111.970 113.464 -1.494 25554 9094 1 9 . 1 1 207 207 THR C C 207 176.566 176.566 175.833 0.733 25554 9095 1 9 . 1 1 207 207 THR CA C 207 64.534 64.534 60.298 4.236 25554 9096 1 9 . 1 1 207 207 THR CB C 207 72.733 72.733 68.552 4.181 25554 9097 1 9 . 1 1 207 207 THR H H 207 7.468 7.468 8.302 -0.834 25554 9098 1 9 . 1 1 208 208 ALA N N 208 115.623 115.623 125.659 -10.036 25554 9099 1 9 . 1 1 208 208 ALA C C 208 168.947 168.947 178.485 -9.538 25554 9100 1 9 . 1 1 208 208 ALA CA C 208 55.164 55.164 55.304 -0.140 25554 9101 1 9 . 1 1 208 208 ALA CB C 208 22.369 22.369 18.258 4.111 25554 9102 1 9 . 1 1 208 208 ALA H H 208 7.390 7.390 8.448 -1.058 25554 9103 1 9 . 1 1 209 209 LEU N N 209 117.814 117.814 118.570 -0.756 25554 9104 1 9 . 1 1 209 209 LEU C C 209 176.273 176.273 175.926 0.347 25554 9105 1 9 . 1 1 209 209 LEU CA C 209 58.678 58.678 59.492 -0.814 25554 9106 1 9 . 1 1 209 209 LEU CB C 209 46.380 46.380 39.417 6.963 25554 9107 1 9 . 1 1 209 209 LEU H H 209 7.652 7.652 7.735 -0.083 25554 9108 1 9 . 1 1 210 210 PRO C C 210 176.566 176.566 178.612 -2.046 25554 9109 1 9 . 1 1 210 210 PRO CA C 210 63.086 63.086 65.948 -2.862 25554 9110 1 9 . 1 1 210 210 PRO CB C 210 31.146 31.146 31.120 0.026 25554 9111 1 9 . 1 1 211 211 ASP N N 211 121.134 121.134 117.919 3.215 25554 9112 1 9 . 1 1 211 211 ASP C C 211 176.273 176.273 178.881 -2.608 25554 9113 1 9 . 1 1 211 211 ASP CA C 211 52.236 52.236 56.851 -4.615 25554 9114 1 9 . 1 1 211 211 ASP CB C 211 42.281 42.281 40.196 2.085 25554 9115 1 9 . 1 1 211 211 ASP H H 211 9.510 9.510 7.709 1.801 25554 9116 1 9 . 1 1 212 212 GLU N N 212 131.162 131.162 119.597 11.565 25554 9117 1 9 . 1 1 212 212 GLU C C 212 176.273 176.273 178.912 -2.639 25554 9118 1 9 . 1 1 212 212 GLU CA C 212 55.164 55.164 59.149 -3.985 25554 9119 1 9 . 1 1 212 212 GLU CB C 212 30.568 30.568 29.227 1.341 25554 9120 1 9 . 1 1 212 212 GLU H H 212 8.399 8.399 8.564 -0.165 25554 9121 1 9 . 1 1 213 213 ASP N N 213 115.822 115.822 119.734 -3.912 25554 9122 1 9 . 1 1 213 213 ASP C C 213 174.807 174.807 178.175 -3.368 25554 9123 1 9 . 1 1 213 213 ASP CA C 213 51.065 51.065 56.733 -5.668 25554 9124 1 9 . 1 1 213 213 ASP CB C 213 41.109 41.109 40.303 0.806 25554 9125 1 9 . 1 1 213 213 ASP H H 213 10.699 10.699 7.874 2.825 25554 9126 1 9 . 1 1 214 214 ASP N N 214 112.369 112.369 120.056 -7.687 25554 9127 1 9 . 1 1 214 214 ASP C C 214 178.910 178.910 177.816 1.094 25554 9128 1 9 . 1 1 214 214 ASP CA C 214 54.579 54.579 56.498 -1.919 25554 9129 1 9 . 1 1 214 214 ASP CB C 214 39.353 39.353 40.547 -1.194 25554 9130 1 9 . 1 1 214 214 ASP H H 214 7.464 7.464 7.923 -0.459 25554 9131 1 9 . 1 1 215 215 ASP N N 215 127.244 127.244 119.165 8.079 25554 9132 1 9 . 1 1 215 215 ASP C C 215 176.859 176.859 177.442 -0.583 25554 9133 1 9 . 1 1 215 215 ASP CA C 215 54.579 54.579 55.601 -1.022 25554 9134 1 9 . 1 1 215 215 ASP CB C 215 40.524 40.524 41.164 -0.640 25554 9135 1 9 . 1 1 215 215 ASP H H 215 8.301 8.301 7.878 0.423 25554 9136 1 10 . 1 1 2 2 ALA N N 2 131.228 131.228 123.651 7.577 25554 9137 1 10 . 1 1 2 2 ALA C C 2 187.031 187.031 178.115 8.916 25554 9138 1 10 . 1 1 2 2 ALA CA C 2 53.407 53.407 52.842 0.565 25554 9139 1 10 . 1 1 2 2 ALA CB C 2 20.027 20.027 18.876 1.151 25554 9140 1 10 . 1 1 2 2 ALA H H 2 10.644 10.644 8.132 2.512 25554 9141 1 10 . 1 1 3 3 ALA N N 3 124.521 124.521 121.651 2.870 25554 9142 1 10 . 1 1 3 3 ALA C C 3 176.566 176.566 177.342 -0.776 25554 9143 1 10 . 1 1 3 3 ALA CA C 3 49.894 49.894 51.644 -1.750 25554 9144 1 10 . 1 1 3 3 ALA CB C 3 18.270 18.270 19.356 -1.086 25554 9145 1 10 . 1 1 3 3 ALA H H 3 8.669 8.669 8.108 0.561 25554 9146 1 10 . 1 1 4 4 GLN N N 4 118.080 118.080 121.663 -3.583 25554 9147 1 10 . 1 1 4 4 GLN C C 4 176.273 176.273 177.391 -1.118 25554 9148 1 10 . 1 1 4 4 GLN CA C 4 54.579 54.579 56.530 -1.951 25554 9149 1 10 . 1 1 4 4 GLN CB C 4 27.054 27.054 29.220 -2.166 25554 9150 1 10 . 1 1 4 4 GLN H H 4 8.919 8.919 8.606 0.313 25554 9151 1 10 . 1 1 5 5 GLY N N 5 121.002 121.002 109.855 11.147 25554 9152 1 10 . 1 1 5 5 GLY C C 5 181.877 181.877 173.653 8.224 25554 9153 1 10 . 1 1 5 5 GLY CA C 5 45.794 45.794 44.911 0.883 25554 9154 1 10 . 1 1 5 5 GLY H H 5 8.082 8.082 8.689 -0.607 25554 9155 1 10 . 1 1 6 6 GLU N N 6 129.435 129.435 121.996 7.439 25554 9156 1 10 . 1 1 6 6 GLU C C 6 176.566 176.566 174.798 1.768 25554 9157 1 10 . 1 1 6 6 GLU CA C 6 56.336 56.336 52.816 3.520 25554 9158 1 10 . 1 1 6 6 GLU CB C 6 28.811 28.811 30.711 -1.900 25554 9159 1 10 . 1 1 6 6 GLU H H 6 9.267 9.267 8.117 1.150 25554 9160 1 10 . 1 1 7 7 PRO C C 7 176.566 176.566 176.450 0.116 25554 9161 1 10 . 1 1 7 7 PRO CA C 7 63.672 63.672 62.552 1.120 25554 9162 1 10 . 1 1 7 7 PRO CB C 7 31.146 31.146 32.313 -1.167 25554 9163 1 10 . 1 1 8 8 GLN N N 8 112.502 112.502 118.491 -5.989 25554 9164 1 10 . 1 1 8 8 GLN C C 8 177.445 177.445 175.880 1.565 25554 9165 1 10 . 1 1 8 8 GLN CA C 8 50.479 50.479 56.115 -5.636 25554 9166 1 10 . 1 1 8 8 GLN CB C 8 28.811 28.811 29.309 -0.498 25554 9167 1 10 . 1 1 8 8 GLN H H 8 6.220 6.220 8.270 -2.050 25554 9168 1 10 . 1 1 9 9 VAL N N 9 117.416 117.416 123.503 -6.087 25554 9169 1 10 . 1 1 9 9 VAL C C 9 178.324 178.324 174.454 3.870 25554 9170 1 10 . 1 1 9 9 VAL CA C 9 63.363 63.363 62.516 0.847 25554 9171 1 10 . 1 1 9 9 VAL CB C 9 34.668 34.668 32.110 2.558 25554 9172 1 10 . 1 1 9 9 VAL H H 9 6.561 6.561 8.125 -1.564 25554 9173 1 10 . 1 1 10 10 GLN N N 10 113.896 113.896 124.717 -10.821 25554 9174 1 10 . 1 1 10 10 GLN C C 10 176.273 176.273 174.809 1.464 25554 9175 1 10 . 1 1 10 10 GLN CA C 10 55.164 55.164 53.521 1.643 25554 9176 1 10 . 1 1 10 10 GLN CB C 10 28.226 28.226 32.564 -4.338 25554 9177 1 10 . 1 1 10 10 GLN H H 10 7.847 7.847 8.162 -0.315 25554 9178 1 10 . 1 1 11 11 PHE N N 11 118.744 118.744 122.396 -3.652 25554 9179 1 10 . 1 1 11 11 PHE C C 11 176.566 176.566 174.788 1.778 25554 9180 1 10 . 1 1 11 11 PHE CA C 11 59.849 59.849 56.426 3.423 25554 9181 1 10 . 1 1 11 11 PHE CB C 11 41.109 41.109 42.630 -1.521 25554 9182 1 10 . 1 1 11 11 PHE H H 11 8.262 8.262 8.892 -0.630 25554 9183 1 10 . 1 1 12 12 LYS N N 12 124.123 124.123 123.411 0.712 25554 9184 1 10 . 1 1 12 12 LYS C C 12 177.152 177.152 175.169 1.983 25554 9185 1 10 . 1 1 12 12 LYS CA C 12 57.507 57.507 56.422 1.085 25554 9186 1 10 . 1 1 12 12 LYS CB C 12 28.811 28.811 33.454 -4.643 25554 9187 1 10 . 1 1 12 12 LYS H H 12 8.415 8.415 8.986 -0.571 25554 9188 1 10 . 1 1 13 13 LEU N N 13 112.103 112.103 127.892 -15.789 25554 9189 1 10 . 1 1 13 13 LEU C C 13 177.738 177.738 174.894 2.844 25554 9190 1 10 . 1 1 13 13 LEU CA C 13 54.579 54.579 53.556 1.024 25554 9191 1 10 . 1 1 13 13 LEU CB C 13 42.866 42.866 45.590 -2.724 25554 9192 1 10 . 1 1 13 13 LEU H H 13 6.905 6.905 9.069 -2.164 25554 9193 1 10 . 1 1 14 14 VAL N N 14 127.310 127.310 127.525 -0.215 25554 9194 1 10 . 1 1 14 14 VAL C C 14 175.393 175.393 174.454 0.939 25554 9195 1 10 . 1 1 14 14 VAL CA C 14 70.976 70.976 61.880 9.096 25554 9196 1 10 . 1 1 14 14 VAL CB C 14 28.811 28.811 32.768 -3.957 25554 9197 1 10 . 1 1 14 14 VAL H H 14 8.305 8.305 9.189 -0.884 25554 9198 1 10 . 1 1 15 15 LEU N N 15 121.400 121.400 129.335 -7.935 25554 9199 1 10 . 1 1 15 15 LEU C C 15 173.342 173.342 175.924 -2.582 25554 9200 1 10 . 1 1 15 15 LEU CA C 15 56.336 56.336 53.608 2.728 25554 9201 1 10 . 1 1 15 15 LEU CB C 15 41.695 41.695 43.055 -1.360 25554 9202 1 10 . 1 1 15 15 LEU H H 15 7.785 7.785 8.401 -0.616 25554 9203 1 10 . 1 1 16 16 VAL N N 16 121.267 121.267 115.223 6.044 25554 9204 1 10 . 1 1 16 16 VAL C C 16 178.324 178.324 174.644 3.680 25554 9205 1 10 . 1 1 16 16 VAL CA C 16 63.363 63.363 58.532 4.830 25554 9206 1 10 . 1 1 16 16 VAL CB C 16 35.839 35.839 35.614 0.225 25554 9207 1 10 . 1 1 16 16 VAL H H 16 8.935 8.935 8.865 0.070 25554 9208 1 10 . 1 1 17 17 GLY N N 17 127.908 127.908 108.325 19.583 25554 9209 1 10 . 1 1 17 17 GLY C C 17 174.514 174.514 171.934 2.580 25554 9210 1 10 . 1 1 17 17 GLY CA C 17 42.281 42.281 44.844 -2.563 25554 9211 1 10 . 1 1 17 17 GLY H H 17 9.682 9.682 6.934 2.748 25554 9212 1 10 . 1 1 18 18 ASP N N 18 119.673 119.673 120.727 -1.054 25554 9213 1 10 . 1 1 18 18 ASP C C 18 176.859 176.859 177.216 -0.357 25554 9214 1 10 . 1 1 18 18 ASP CA C 18 55.750 55.750 53.307 2.443 25554 9215 1 10 . 1 1 18 18 ASP CB C 18 39.938 39.938 43.116 -3.178 25554 9216 1 10 . 1 1 18 18 ASP H H 18 7.879 7.879 7.987 -0.108 25554 9217 1 10 . 1 1 19 19 GLY N N 19 120.670 120.670 110.149 10.521 25554 9218 1 10 . 1 1 19 19 GLY C C 19 178.324 178.324 174.934 3.390 25554 9219 1 10 . 1 1 19 19 GLY CA C 19 42.281 42.281 46.085 -3.804 25554 9220 1 10 . 1 1 19 19 GLY H H 19 8.825 8.825 8.606 0.219 25554 9221 1 10 . 1 1 20 20 GLY N N 20 129.369 129.369 112.522 16.847 25554 9222 1 10 . 1 1 20 20 GLY C C 20 174.221 174.221 175.783 -1.562 25554 9223 1 10 . 1 1 20 20 GLY CA C 20 41.695 41.695 45.430 -3.735 25554 9224 1 10 . 1 1 20 20 GLY H H 20 8.477 8.477 8.653 -0.176 25554 9225 1 10 . 1 1 21 21 THR N N 21 114.560 114.560 116.081 -1.521 25554 9226 1 10 . 1 1 21 21 THR C C 21 178.617 178.617 175.219 3.398 25554 9227 1 10 . 1 1 21 21 THR CA C 21 62.192 62.192 63.891 -1.699 25554 9228 1 10 . 1 1 21 21 THR CB C 21 70.390 70.390 68.605 1.785 25554 9229 1 10 . 1 1 21 21 THR H H 21 8.196 8.196 7.700 0.496 25554 9230 1 10 . 1 1 22 22 GLY N N 22 112.369 112.369 107.824 4.545 25554 9231 1 10 . 1 1 22 22 GLY C C 22 184.807 184.807 175.158 9.649 25554 9232 1 10 . 1 1 22 22 GLY CA C 22 45.209 45.209 45.504 -0.295 25554 9233 1 10 . 1 1 22 22 GLY H H 22 6.772 6.772 8.155 -1.383 25554 9234 1 10 . 1 1 23 23 LYS N N 23 124.056 124.056 119.986 4.070 25554 9235 1 10 . 1 1 23 23 LYS C C 23 176.566 176.566 177.935 -1.369 25554 9236 1 10 . 1 1 23 23 LYS CA C 23 56.921 56.921 59.035 -2.114 25554 9237 1 10 . 1 1 23 23 LYS CB C 23 35.839 35.839 32.144 3.695 25554 9238 1 10 . 1 1 23 23 LYS H H 23 8.180 8.180 8.396 -0.216 25554 9239 1 10 . 1 1 24 24 THR N N 24 114.627 114.627 114.443 0.184 25554 9240 1 10 . 1 1 24 24 THR C C 24 178.324 178.324 176.346 1.978 25554 9241 1 10 . 1 1 24 24 THR CA C 24 62.192 62.192 66.739 -4.547 25554 9242 1 10 . 1 1 24 24 THR CB C 24 71.562 71.562 68.200 3.362 25554 9243 1 10 . 1 1 24 24 THR H H 24 8.469 8.469 8.401 0.068 25554 9244 1 10 . 1 1 25 25 THR N N 25 110.377 110.377 118.565 -8.188 25554 9245 1 10 . 1 1 25 25 THR C C 25 178.324 178.324 175.886 2.438 25554 9246 1 10 . 1 1 25 25 THR CA C 25 64.534 64.534 67.317 -2.783 25554 9247 1 10 . 1 1 25 25 THR CB C 25 71.562 71.562 68.546 3.016 25554 9248 1 10 . 1 1 25 25 THR H H 25 8.415 8.415 8.112 0.303 25554 9249 1 10 . 1 1 26 26 PHE N N 26 114.295 114.295 122.688 -8.393 25554 9250 1 10 . 1 1 26 26 PHE C C 26 174.514 174.514 177.192 -2.678 25554 9251 1 10 . 1 1 26 26 PHE CA C 26 53.407 53.407 61.685 -8.278 25554 9252 1 10 . 1 1 26 26 PHE CB C 26 40.524 40.524 39.063 1.461 25554 9253 1 10 . 1 1 26 26 PHE H H 26 7.707 7.707 7.887 -0.180 25554 9254 1 10 . 1 1 27 27 VAL N N 27 123.525 123.525 117.947 5.578 25554 9255 1 10 . 1 1 27 27 VAL C C 27 178.031 178.031 178.290 -0.259 25554 9256 1 10 . 1 1 27 27 VAL CA C 27 67.462 67.462 65.897 1.565 25554 9257 1 10 . 1 1 27 27 VAL CB C 27 29.397 29.397 31.537 -2.140 25554 9258 1 10 . 1 1 27 27 VAL H H 27 6.987 6.987 8.179 -1.192 25554 9259 1 10 . 1 1 28 28 LYS N N 28 114.228 114.228 118.662 -4.434 25554 9260 1 10 . 1 1 28 28 LYS C C 28 176.566 176.566 178.546 -1.980 25554 9261 1 10 . 1 1 28 28 LYS CA C 28 58.092 58.092 57.324 0.768 25554 9262 1 10 . 1 1 28 28 LYS CB C 28 34.082 34.082 31.643 2.438 25554 9263 1 10 . 1 1 28 28 LYS H H 28 7.429 7.429 8.053 -0.624 25554 9264 1 10 . 1 1 29 29 ARG N N 29 112.037 112.037 115.939 -3.902 25554 9265 1 10 . 1 1 29 29 ARG C C 29 174.221 174.221 176.767 -2.546 25554 9266 1 10 . 1 1 29 29 ARG CA C 29 72.147 72.147 57.524 14.623 25554 9267 1 10 . 1 1 29 29 ARG CB C 29 37.596 37.596 29.540 8.056 25554 9268 1 10 . 1 1 29 29 ARG H H 29 6.803 6.803 7.617 -0.814 25554 9269 1 10 . 1 1 30 30 HIS N N 30 122.396 122.396 118.008 4.388 25554 9270 1 10 . 1 1 30 30 HIS C C 30 172.170 172.170 176.455 -4.285 25554 9271 1 10 . 1 1 30 30 HIS CA C 30 51.651 51.651 55.920 -4.269 25554 9272 1 10 . 1 1 30 30 HIS CB C 30 30.568 30.568 28.181 2.387 25554 9273 1 10 . 1 1 30 30 HIS H H 30 7.644 7.644 7.269 0.375 25554 9274 1 10 . 1 1 31 31 LEU N N 31 110.377 110.377 126.743 -16.366 25554 9275 1 10 . 1 1 31 31 LEU C C 31 178.031 178.031 178.384 -0.353 25554 9276 1 10 . 1 1 31 31 LEU CA C 31 55.164 55.164 58.123 -2.959 25554 9277 1 10 . 1 1 31 31 LEU CB C 31 42.281 42.281 41.687 0.594 25554 9278 1 10 . 1 1 31 31 LEU H H 31 7.894 7.894 8.330 -0.436 25554 9279 1 10 . 1 1 32 32 THR N N 32 118.213 118.213 114.961 3.252 25554 9280 1 10 . 1 1 32 32 THR C C 32 178.910 178.910 176.631 2.279 25554 9281 1 10 . 1 1 32 32 THR CA C 32 63.949 63.949 67.115 -3.166 25554 9282 1 10 . 1 1 32 32 THR CB C 32 72.733 72.733 68.237 4.496 25554 9283 1 10 . 1 1 32 32 THR H H 32 7.570 7.570 7.834 -0.264 25554 9284 1 10 . 1 1 33 33 GLY N N 33 127.841 127.841 109.314 18.527 25554 9285 1 10 . 1 1 33 33 GLY C C 33 161.914 161.914 175.966 -14.052 25554 9286 1 10 . 1 1 33 33 GLY CA C 33 42.866 42.866 46.723 -3.857 25554 9287 1 10 . 1 1 33 33 GLY H H 33 9.662 9.662 8.381 1.281 25554 9288 1 10 . 1 1 34 34 GLU N N 34 122.263 122.263 122.879 -0.616 25554 9289 1 10 . 1 1 34 34 GLU C C 34 176.859 176.859 179.319 -2.460 25554 9290 1 10 . 1 1 34 34 GLU CA C 34 51.651 51.651 58.202 -6.551 25554 9291 1 10 . 1 1 34 34 GLU CB C 34 29.397 29.397 29.281 0.116 25554 9292 1 10 . 1 1 34 34 GLU H H 34 7.140 7.140 7.701 -0.561 25554 9293 1 10 . 1 1 35 35 PHE N N 35 111.838 111.838 117.608 -5.770 25554 9294 1 10 . 1 1 35 35 PHE C C 35 174.221 174.221 177.151 -2.930 25554 9295 1 10 . 1 1 35 35 PHE CA C 35 49.308 49.308 59.711 -10.403 25554 9296 1 10 . 1 1 35 35 PHE CB C 35 41.695 41.695 38.996 2.699 25554 9297 1 10 . 1 1 35 35 PHE H H 35 6.772 6.772 7.765 -0.993 25554 9298 1 10 . 1 1 36 36 GLU N N 36 124.388 124.388 118.824 5.564 25554 9299 1 10 . 1 1 36 36 GLU C C 36 176.859 176.859 175.101 1.758 25554 9300 1 10 . 1 1 36 36 GLU CA C 36 58.092 58.092 55.592 2.500 25554 9301 1 10 . 1 1 36 36 GLU CB C 36 30.568 30.568 28.940 1.628 25554 9302 1 10 . 1 1 36 36 GLU H H 36 7.734 7.734 8.257 -0.523 25554 9303 1 10 . 1 1 37 37 LYS N N 37 118.810 118.810 121.680 -2.870 25554 9304 1 10 . 1 1 37 37 LYS C C 37 172.756 172.756 176.047 -3.291 25554 9305 1 10 . 1 1 37 37 LYS CA C 37 48.137 48.137 54.947 -6.810 25554 9306 1 10 . 1 1 37 37 LYS CB C 37 37.010 37.010 34.113 2.897 25554 9307 1 10 . 1 1 37 37 LYS H H 37 8.509 8.509 7.402 1.107 25554 9308 1 10 . 1 1 38 38 LYS N N 38 108.052 108.052 124.569 -16.517 25554 9309 1 10 . 1 1 38 38 LYS C C 38 176.273 176.273 173.953 2.320 25554 9310 1 10 . 1 1 38 38 LYS CA C 38 59.849 59.849 54.813 5.035 25554 9311 1 10 . 1 1 38 38 LYS CB C 38 34.668 34.668 35.657 -0.990 25554 9312 1 10 . 1 1 38 38 LYS H H 38 7.715 7.715 8.665 -0.950 25554 9313 1 10 . 1 1 39 39 TYR N N 39 108.650 108.650 124.761 -16.111 25554 9314 1 10 . 1 1 39 39 TYR C C 39 175.686 175.686 174.894 0.792 25554 9315 1 10 . 1 1 39 39 TYR CA C 39 61.020 61.020 57.386 3.634 25554 9316 1 10 . 1 1 39 39 TYR CB C 39 36.424 36.424 40.319 -3.894 25554 9317 1 10 . 1 1 39 39 TYR H H 39 7.362 7.362 8.610 -1.248 25554 9318 1 10 . 1 1 40 40 VAL N N 40 117.947 117.947 129.120 -11.173 25554 9319 1 10 . 1 1 40 40 VAL C C 40 175.393 175.393 175.108 0.285 25554 9320 1 10 . 1 1 40 40 VAL CA C 40 61.020 61.020 60.992 0.028 25554 9321 1 10 . 1 1 40 40 VAL CB C 40 31.154 31.154 32.575 -1.421 25554 9322 1 10 . 1 1 40 40 VAL H H 40 8.442 8.442 8.506 -0.064 25554 9323 1 10 . 1 1 42 42 THR N N 42 117.150 117.150 114.429 2.721 25554 9324 1 10 . 1 1 42 42 THR C C 42 178.910 178.910 176.739 2.171 25554 9325 1 10 . 1 1 42 42 THR CA C 42 60.435 60.435 64.736 -4.301 25554 9326 1 10 . 1 1 42 42 THR CB C 42 70.390 70.390 68.643 1.747 25554 9327 1 10 . 1 1 42 42 THR H H 42 8.192 8.192 8.112 0.080 25554 9328 1 10 . 1 1 43 43 LEU N N 43 119.209 119.209 120.945 -1.736 25554 9329 1 10 . 1 1 43 43 LEU C C 43 174.807 174.807 177.518 -2.711 25554 9330 1 10 . 1 1 43 43 LEU CA C 43 57.507 57.507 55.767 1.740 25554 9331 1 10 . 1 1 43 43 LEU CB C 43 42.866 42.866 41.968 0.899 25554 9332 1 10 . 1 1 43 43 LEU H H 43 9.260 9.260 8.063 1.197 25554 9333 1 10 . 1 1 44 44 GLY N N 44 114.361 114.361 106.442 7.919 25554 9334 1 10 . 1 1 44 44 GLY C C 44 178.910 178.910 173.459 5.451 25554 9335 1 10 . 1 1 44 44 GLY CA C 44 54.579 54.579 45.591 8.988 25554 9336 1 10 . 1 1 44 44 GLY H H 44 6.979 6.979 7.758 -0.779 25554 9337 1 10 . 1 1 45 45 VAL N N 45 110.244 110.244 118.271 -8.027 25554 9338 1 10 . 1 1 45 45 VAL C C 45 174.807 174.807 174.036 0.771 25554 9339 1 10 . 1 1 45 45 VAL CA C 45 63.363 63.363 60.313 3.050 25554 9340 1 10 . 1 1 45 45 VAL CB C 45 17.099 17.099 35.712 -18.613 25554 9341 1 10 . 1 1 45 45 VAL H H 45 8.309 8.309 7.589 0.720 25554 9342 1 10 . 1 1 46 46 GLU N N 46 130.365 130.365 126.063 4.302 25554 9343 1 10 . 1 1 46 46 GLU C C 46 176.859 176.859 175.571 1.288 25554 9344 1 10 . 1 1 46 46 GLU CA C 46 55.164 55.164 54.757 0.407 25554 9345 1 10 . 1 1 46 46 GLU CB C 46 32.325 32.325 32.145 0.180 25554 9346 1 10 . 1 1 46 46 GLU H H 46 9.741 9.741 8.914 0.827 25554 9347 1 10 . 1 1 47 47 VAL N N 47 115.623 115.623 124.565 -8.942 25554 9348 1 10 . 1 1 47 47 VAL C C 47 178.324 178.324 174.761 3.563 25554 9349 1 10 . 1 1 47 47 VAL CA C 47 63.363 63.363 60.659 2.704 25554 9350 1 10 . 1 1 47 47 VAL CB C 47 32.911 32.911 33.133 -0.222 25554 9351 1 10 . 1 1 47 47 VAL H H 47 7.339 7.339 8.586 -1.247 25554 9352 1 10 . 1 1 48 48 HIS N N 48 129.236 129.236 126.289 2.947 25554 9353 1 10 . 1 1 48 48 HIS C C 48 169.240 169.240 173.150 -3.910 25554 9354 1 10 . 1 1 48 48 HIS CA C 48 49.894 49.894 53.095 -3.201 25554 9355 1 10 . 1 1 48 48 HIS CB C 48 27.640 27.640 31.729 -4.089 25554 9356 1 10 . 1 1 48 48 HIS H H 48 10.390 10.390 9.113 1.277 25554 9357 1 10 . 1 1 49 49 PRO C C 49 176.273 176.273 175.688 0.585 25554 9358 1 10 . 1 1 49 49 PRO CA C 49 62.500 62.500 63.074 -0.574 25554 9359 1 10 . 1 1 49 49 PRO CB C 49 29.974 29.974 32.116 -2.142 25554 9360 1 10 . 1 1 50 50 LEU N N 50 119.408 119.408 127.748 -8.340 25554 9361 1 10 . 1 1 50 50 LEU C C 50 177.445 177.445 175.221 2.224 25554 9362 1 10 . 1 1 50 50 LEU CA C 50 59.264 59.264 53.966 5.298 25554 9363 1 10 . 1 1 50 50 LEU CB C 50 42.281 42.281 43.328 -1.047 25554 9364 1 10 . 1 1 50 50 LEU H H 50 7.492 7.492 9.075 -1.583 25554 9365 1 10 . 1 1 51 51 VAL N N 51 117.947 117.947 123.548 -5.601 25554 9366 1 10 . 1 1 51 51 VAL C C 51 174.514 174.514 174.612 -0.098 25554 9367 1 10 . 1 1 51 51 VAL CA C 51 64.534 64.534 61.307 3.227 25554 9368 1 10 . 1 1 51 51 VAL CB C 51 37.010 37.010 33.158 3.852 25554 9369 1 10 . 1 1 51 51 VAL H H 51 7.715 7.715 8.017 -0.302 25554 9370 1 10 . 1 1 52 52 PHE N N 52 124.853 124.853 125.567 -0.714 25554 9371 1 10 . 1 1 52 52 PHE C C 52 175.100 175.100 173.981 1.119 25554 9372 1 10 . 1 1 52 52 PHE CA C 52 56.336 56.336 56.071 0.265 25554 9373 1 10 . 1 1 52 52 PHE CB C 52 39.938 39.938 42.011 -2.073 25554 9374 1 10 . 1 1 52 52 PHE H H 52 8.935 8.935 8.862 0.073 25554 9375 1 10 . 1 1 53 53 HIS N N 53 120.603 120.603 122.464 -1.861 25554 9376 1 10 . 1 1 53 53 HIS C C 53 170.119 170.119 174.978 -4.859 25554 9377 1 10 . 1 1 53 53 HIS CA C 53 55.164 55.164 55.278 -0.114 25554 9378 1 10 . 1 1 53 53 HIS CB C 53 30.568 30.568 30.564 0.004 25554 9379 1 10 . 1 1 53 53 HIS H H 53 8.356 8.356 8.335 0.021 25554 9380 1 10 . 1 1 54 54 THR N N 54 112.634 112.634 117.059 -4.425 25554 9381 1 10 . 1 1 54 54 THR C C 54 178.910 178.910 175.826 3.084 25554 9382 1 10 . 1 1 54 54 THR CA C 54 63.363 63.363 59.739 3.624 25554 9383 1 10 . 1 1 54 54 THR CB C 54 72.733 72.733 71.429 1.304 25554 9384 1 10 . 1 1 54 54 THR H H 54 7.574 7.574 8.976 -1.402 25554 9385 1 10 . 1 1 55 55 ASN N N 55 131.095 131.095 121.202 9.893 25554 9386 1 10 . 1 1 55 55 ASN C C 55 176.273 176.273 176.912 -0.639 25554 9387 1 10 . 1 1 55 55 ASN CA C 55 51.065 51.065 55.758 -4.693 25554 9388 1 10 . 1 1 55 55 ASN CB C 55 37.010 37.010 38.264 -1.254 25554 9389 1 10 . 1 1 55 55 ASN H H 55 10.187 10.187 9.141 1.046 25554 9390 1 10 . 1 1 56 56 ARG N N 56 122.064 122.064 117.422 4.642 25554 9391 1 10 . 1 1 56 56 ARG C C 56 175.100 175.100 176.134 -1.034 25554 9392 1 10 . 1 1 56 56 ARG CA C 56 61.606 61.606 56.403 5.203 25554 9393 1 10 . 1 1 56 56 ARG CB C 56 32.911 32.911 30.319 2.592 25554 9394 1 10 . 1 1 56 56 ARG H H 56 7.433 7.433 8.233 -0.800 25554 9395 1 10 . 1 1 57 57 GLY N N 57 127.709 127.709 108.231 19.478 25554 9396 1 10 . 1 1 57 57 GLY C C 57 175.979 175.979 171.810 4.169 25554 9397 1 10 . 1 1 57 57 GLY CA C 57 42.281 42.281 44.493 -2.212 25554 9398 1 10 . 1 1 57 57 GLY H H 57 9.373 9.373 8.120 1.253 25554 9399 1 10 . 1 1 58 58 PRO C C 58 177.152 177.152 175.771 1.381 25554 9400 1 10 . 1 1 58 58 PRO CA C 58 65.137 65.137 62.396 2.741 25554 9401 1 10 . 1 1 58 58 PRO CB C 58 29.095 29.095 32.791 -3.696 25554 9402 1 10 . 1 1 59 59 ILE N N 59 128.638 128.638 122.529 6.109 25554 9403 1 10 . 1 1 59 59 ILE C C 59 175.979 175.979 174.460 1.519 25554 9404 1 10 . 1 1 59 59 ILE CA C 59 65.120 65.120 60.229 4.891 25554 9405 1 10 . 1 1 59 59 ILE CB C 59 40.524 40.524 41.589 -1.065 25554 9406 1 10 . 1 1 59 59 ILE H H 59 8.794 8.794 8.784 0.010 25554 9407 1 10 . 1 1 60 60 LYS N N 60 115.756 115.756 126.678 -10.922 25554 9408 1 10 . 1 1 60 60 LYS C C 60 175.979 175.979 175.152 0.827 25554 9409 1 10 . 1 1 60 60 LYS CA C 60 56.921 56.921 54.101 2.820 25554 9410 1 10 . 1 1 60 60 LYS CB C 60 32.325 32.325 35.974 -3.649 25554 9411 1 10 . 1 1 60 60 LYS H H 60 7.253 7.253 8.927 -1.674 25554 9412 1 10 . 1 1 61 61 PHE N N 61 120.670 120.670 125.988 -5.318 25554 9413 1 10 . 1 1 61 61 PHE C C 61 175.393 175.393 175.097 0.296 25554 9414 1 10 . 1 1 61 61 PHE CA C 61 57.507 57.507 56.881 0.626 25554 9415 1 10 . 1 1 61 61 PHE CB C 61 41.109 41.109 41.142 -0.033 25554 9416 1 10 . 1 1 61 61 PHE H H 61 7.515 7.515 9.410 -1.895 25554 9417 1 10 . 1 1 62 62 ASN N N 62 119.076 119.076 124.387 -5.311 25554 9418 1 10 . 1 1 62 62 ASN C C 62 175.100 175.100 174.777 0.323 25554 9419 1 10 . 1 1 62 62 ASN CA C 62 53.407 53.407 52.554 0.853 25554 9420 1 10 . 1 1 62 62 ASN CB C 62 38.767 38.767 38.850 -0.083 25554 9421 1 10 . 1 1 62 62 ASN H H 62 7.558 7.558 9.330 -1.772 25554 9422 1 10 . 1 1 63 63 VAL N N 63 106.127 106.127 124.166 -18.039 25554 9423 1 10 . 1 1 63 63 VAL C C 63 175.100 175.100 175.352 -0.252 25554 9424 1 10 . 1 1 63 63 VAL CA C 63 61.020 61.020 62.991 -1.971 25554 9425 1 10 . 1 1 63 63 VAL CB C 63 31.154 31.154 32.474 -1.320 25554 9426 1 10 . 1 1 63 63 VAL H H 63 8.113 8.113 8.746 -0.633 25554 9427 1 10 . 1 1 64 64 TRP N N 64 129.302 129.302 130.342 -1.040 25554 9428 1 10 . 1 1 64 64 TRP C C 64 177.152 177.152 175.475 1.677 25554 9429 1 10 . 1 1 64 64 TRP CA C 64 59.264 59.264 56.172 3.091 25554 9430 1 10 . 1 1 64 64 TRP CB C 64 29.397 29.397 29.643 -0.246 25554 9431 1 10 . 1 1 64 64 TRP H H 64 8.970 8.970 9.601 -0.631 25554 9432 1 10 . 1 1 65 65 ASP N N 65 119.607 119.607 123.954 -4.347 25554 9433 1 10 . 1 1 65 65 ASP C C 65 174.514 174.514 175.810 -1.296 25554 9434 1 10 . 1 1 65 65 ASP CA C 65 55.164 55.164 52.270 2.894 25554 9435 1 10 . 1 1 65 65 ASP CB C 65 41.109 41.109 44.458 -3.349 25554 9436 1 10 . 1 1 65 65 ASP H H 65 8.638 8.638 9.249 -0.611 25554 9437 1 10 . 1 1 66 66 THR N N 66 122.463 122.463 114.687 7.776 25554 9438 1 10 . 1 1 66 66 THR C C 66 178.617 178.617 175.190 3.427 25554 9439 1 10 . 1 1 66 66 THR CA C 66 68.048 68.048 61.520 6.528 25554 9440 1 10 . 1 1 66 66 THR CB C 66 71.562 71.562 69.715 1.847 25554 9441 1 10 . 1 1 66 66 THR H H 66 8.293 8.293 8.387 -0.094 25554 9442 1 10 . 1 1 67 67 ALA N N 67 104.865 104.865 125.954 -21.089 25554 9443 1 10 . 1 1 67 67 ALA C C 67 177.738 177.738 177.514 0.224 25554 9444 1 10 . 1 1 67 67 ALA CA C 67 48.722 48.722 53.859 -5.137 25554 9445 1 10 . 1 1 67 67 ALA CB C 67 14.171 14.171 18.756 -4.585 25554 9446 1 10 . 1 1 67 67 ALA H H 67 8.657 8.657 8.663 -0.006 25554 9447 1 10 . 1 1 68 68 GLY N N 68 115.357 115.357 103.715 11.642 25554 9448 1 10 . 1 1 68 68 GLY C C 68 189.533 189.533 176.126 13.407 25554 9449 1 10 . 1 1 68 68 GLY CA C 68 45.209 45.209 44.816 0.394 25554 9450 1 10 . 1 1 68 68 GLY H H 68 10.969 10.969 8.319 2.650 25554 9451 1 10 . 1 1 69 69 GLN N N 69 110.111 110.111 120.002 -9.891 25554 9452 1 10 . 1 1 69 69 GLN C C 69 176.859 176.859 177.385 -0.526 25554 9453 1 10 . 1 1 69 69 GLN CA C 69 55.750 55.750 58.864 -3.114 25554 9454 1 10 . 1 1 69 69 GLN CB C 69 27.640 27.640 28.287 -0.647 25554 9455 1 10 . 1 1 69 69 GLN H H 69 8.344 8.344 8.764 -0.420 25554 9456 1 10 . 1 1 70 70 GLU N N 70 114.826 114.826 118.485 -3.659 25554 9457 1 10 . 1 1 70 70 GLU C C 70 176.273 176.273 177.974 -1.701 25554 9458 1 10 . 1 1 70 70 GLU CA C 70 57.507 57.507 58.987 -1.480 25554 9459 1 10 . 1 1 70 70 GLU CB C 70 28.811 28.811 29.444 -0.632 25554 9460 1 10 . 1 1 70 70 GLU H H 70 9.651 9.651 8.613 1.038 25554 9461 1 10 . 1 1 71 71 LYS N N 71 116.685 116.685 117.787 -1.102 25554 9462 1 10 . 1 1 71 71 LYS C C 71 175.979 175.979 178.652 -2.673 25554 9463 1 10 . 1 1 71 71 LYS CA C 71 48.722 48.722 58.651 -9.929 25554 9464 1 10 . 1 1 71 71 LYS CB C 71 37.010 37.010 32.511 4.499 25554 9465 1 10 . 1 1 71 71 LYS H H 71 8.712 8.712 7.686 1.026 25554 9466 1 10 . 1 1 72 72 PHE N N 72 114.959 114.959 118.832 -3.873 25554 9467 1 10 . 1 1 72 72 PHE C C 72 175.686 175.686 175.794 -0.108 25554 9468 1 10 . 1 1 72 72 PHE CA C 72 56.336 56.336 59.361 -3.026 25554 9469 1 10 . 1 1 72 72 PHE CB C 72 36.424 36.424 40.391 -3.967 25554 9470 1 10 . 1 1 72 72 PHE H H 72 7.965 7.965 7.755 0.210 25554 9471 1 10 . 1 1 73 73 GLY N N 73 117.084 117.084 104.752 12.332 25554 9472 1 10 . 1 1 73 73 GLY C C 73 168.068 168.068 172.329 -4.261 25554 9473 1 10 . 1 1 73 73 GLY CA C 73 42.281 42.281 44.431 -2.150 25554 9474 1 10 . 1 1 73 73 GLY H H 73 7.609 7.609 7.992 -0.383 25554 9475 1 10 . 1 1 74 74 GLY N N 74 120.537 120.537 105.976 14.561 25554 9476 1 10 . 1 1 74 74 GLY C C 74 174.514 174.514 174.749 -0.235 25554 9477 1 10 . 1 1 74 74 GLY CA C 74 44.037 44.037 44.111 -0.074 25554 9478 1 10 . 1 1 74 74 GLY H H 74 9.326 9.326 8.287 1.039 25554 9479 1 10 . 1 1 75 75 LEU N N 75 127.177 127.177 121.597 5.580 25554 9480 1 10 . 1 1 75 75 LEU C C 75 178.617 178.617 177.816 0.801 25554 9481 1 10 . 1 1 75 75 LEU CA C 75 53.407 53.407 54.961 -1.554 25554 9482 1 10 . 1 1 75 75 LEU CB C 75 42.281 42.281 42.464 -0.183 25554 9483 1 10 . 1 1 75 75 LEU H H 75 7.628 7.628 8.806 -1.178 25554 9484 1 10 . 1 1 76 76 ARG N N 76 116.486 116.486 122.952 -6.466 25554 9485 1 10 . 1 1 76 76 ARG C C 76 176.859 176.859 177.215 -0.356 25554 9486 1 10 . 1 1 76 76 ARG CA C 76 59.264 59.264 56.539 2.725 25554 9487 1 10 . 1 1 76 76 ARG CB C 76 31.154 31.154 31.198 -0.044 25554 9488 1 10 . 1 1 76 76 ARG H H 76 7.143 7.143 8.422 -1.279 25554 9489 1 10 . 1 1 77 77 ASP N N 77 129.236 129.236 122.915 6.321 25554 9490 1 10 . 1 1 77 77 ASP C C 77 177.152 177.152 178.489 -1.337 25554 9491 1 10 . 1 1 77 77 ASP CA C 77 52.822 52.822 57.723 -4.901 25554 9492 1 10 . 1 1 77 77 ASP CB C 77 41.695 41.695 40.525 1.170 25554 9493 1 10 . 1 1 77 77 ASP H H 77 8.947 8.947 8.945 0.002 25554 9494 1 10 . 1 1 78 78 GLY N N 78 127.244 127.244 107.626 19.618 25554 9495 1 10 . 1 1 78 78 GLY C C 78 173.928 173.928 175.122 -1.194 25554 9496 1 10 . 1 1 78 78 GLY CA C 78 44.623 44.623 46.982 -2.359 25554 9497 1 10 . 1 1 78 78 GLY H H 78 8.219 8.219 8.468 -0.249 25554 9498 1 10 . 1 1 79 79 TYR N N 79 120.537 120.537 121.046 -0.509 25554 9499 1 10 . 1 1 79 79 TYR C C 79 176.273 176.273 176.343 -0.070 25554 9500 1 10 . 1 1 79 79 TYR CA C 79 58.678 58.678 60.828 -2.150 25554 9501 1 10 . 1 1 79 79 TYR CB C 79 40.524 40.524 38.474 2.050 25554 9502 1 10 . 1 1 79 79 TYR H H 79 8.563 8.563 7.541 1.022 25554 9503 1 10 . 1 1 80 80 TYR N N 80 115.822 115.822 114.931 0.891 25554 9504 1 10 . 1 1 80 80 TYR C C 80 175.979 175.979 176.878 -0.899 25554 9505 1 10 . 1 1 80 80 TYR CA C 80 58.092 58.092 61.115 -3.023 25554 9506 1 10 . 1 1 80 80 TYR CB C 80 38.181 38.181 38.625 -0.444 25554 9507 1 10 . 1 1 80 80 TYR H H 80 7.194 7.194 7.424 -0.230 25554 9508 1 10 . 1 1 81 81 ILE N N 81 120.072 120.072 118.497 1.575 25554 9509 1 10 . 1 1 81 81 ILE C C 81 177.445 177.445 175.910 1.535 25554 9510 1 10 . 1 1 81 81 ILE CA C 81 67.462 67.462 63.041 4.421 25554 9511 1 10 . 1 1 81 81 ILE CB C 81 41.109 41.109 38.017 3.092 25554 9512 1 10 . 1 1 81 81 ILE H H 81 8.837 8.837 7.729 1.108 25554 9513 1 10 . 1 1 82 82 GLN N N 82 109.580 109.580 118.985 -9.405 25554 9514 1 10 . 1 1 82 82 GLN C C 82 177.152 177.152 174.417 2.735 25554 9515 1 10 . 1 1 82 82 GLN CA C 82 56.336 56.336 56.365 -0.029 25554 9516 1 10 . 1 1 82 82 GLN CB C 82 24.126 24.126 26.113 -1.987 25554 9517 1 10 . 1 1 82 82 GLN H H 82 8.493 8.493 8.667 -0.174 25554 9518 1 10 . 1 1 83 83 ALA N N 83 109.713 109.713 121.251 -11.538 25554 9519 1 10 . 1 1 83 83 ALA C C 83 175.979 175.979 176.654 -0.675 25554 9520 1 10 . 1 1 83 83 ALA CA C 83 54.579 54.579 51.758 2.821 25554 9521 1 10 . 1 1 83 83 ALA CB C 83 16.513 16.513 19.112 -2.599 25554 9522 1 10 . 1 1 83 83 ALA H H 83 6.306 6.306 7.409 -1.103 25554 9523 1 10 . 1 1 84 84 GLN N N 84 131.380 131.380 122.174 9.206 25554 9524 1 10 . 1 1 84 84 GLN C C 84 175.686 175.686 175.907 -0.221 25554 9525 1 10 . 1 1 84 84 GLN CA C 84 51.065 51.065 58.108 -7.043 25554 9526 1 10 . 1 1 84 84 GLN CB C 84 32.325 32.325 29.685 2.640 25554 9527 1 10 . 1 1 84 84 GLN H H 84 11.169 11.169 8.858 2.311 25554 9528 1 10 . 1 1 85 85 CYS N N 85 124.322 124.322 111.177 13.145 25554 9529 1 10 . 1 1 85 85 CYS C C 85 173.049 173.049 172.699 0.350 25554 9530 1 10 . 1 1 85 85 CYS CA C 85 57.507 57.507 56.038 1.469 25554 9531 1 10 . 1 1 85 85 CYS CB C 85 35.253 35.253 31.809 3.444 25554 9532 1 10 . 1 1 85 85 CYS H H 85 8.602 8.602 8.248 0.354 25554 9533 1 10 . 1 1 86 86 ALA N N 86 114.295 114.295 122.665 -8.370 25554 9534 1 10 . 1 1 86 86 ALA CA C 86 57.507 57.507 50.576 6.931 25554 9535 1 10 . 1 1 86 86 ALA CB C 86 21.784 21.784 22.840 -1.056 25554 9536 1 10 . 1 1 86 86 ALA H H 86 6.897 6.897 9.242 -2.345 25554 9537 1 10 . 1 1 87 87 ILE N N 87 120.670 120.670 121.095 -0.425 25554 9538 1 10 . 1 1 87 87 ILE C C 87 173.928 173.928 174.784 -0.856 25554 9539 1 10 . 1 1 87 87 ILE CA C 87 61.020 61.020 59.642 1.378 25554 9540 1 10 . 1 1 87 87 ILE CB C 87 39.938 39.938 41.444 -1.506 25554 9541 1 10 . 1 1 87 87 ILE H H 87 8.282 8.282 8.831 -0.549 25554 9542 1 10 . 1 1 88 88 ILE N N 88 120.205 120.205 127.525 -7.320 25554 9543 1 10 . 1 1 88 88 ILE C C 88 173.635 173.635 174.963 -1.328 25554 9544 1 10 . 1 1 88 88 ILE CA C 88 64.534 64.534 59.903 4.631 25554 9545 1 10 . 1 1 88 88 ILE CB C 88 37.596 37.596 40.291 -2.695 25554 9546 1 10 . 1 1 88 88 ILE H H 88 5.528 5.528 8.906 -3.378 25554 9547 1 10 . 1 1 89 89 MET N N 89 119.209 119.209 126.664 -7.455 25554 9548 1 10 . 1 1 89 89 MET C C 89 176.566 176.566 175.051 1.515 25554 9549 1 10 . 1 1 89 89 MET CA C 89 56.921 56.921 54.084 2.837 25554 9550 1 10 . 1 1 89 89 MET CB C 89 34.668 34.668 34.526 0.142 25554 9551 1 10 . 1 1 89 89 MET H H 89 8.164 8.164 8.906 -0.742 25554 9552 1 10 . 1 1 90 90 PHE N N 90 121.134 121.134 118.511 2.623 25554 9553 1 10 . 1 1 90 90 PHE C C 90 175.393 175.393 173.057 2.336 25554 9554 1 10 . 1 1 90 90 PHE CA C 90 60.435 60.435 55.148 5.287 25554 9555 1 10 . 1 1 90 90 PHE CB C 90 38.767 38.767 41.964 -3.197 25554 9556 1 10 . 1 1 90 90 PHE H H 90 9.334 9.334 8.732 0.602 25554 9557 1 10 . 1 1 91 91 ASP N N 91 125.185 125.185 121.372 3.813 25554 9558 1 10 . 1 1 91 91 ASP C C 91 176.566 176.566 177.873 -1.307 25554 9559 1 10 . 1 1 91 91 ASP CA C 91 52.822 52.822 52.301 0.521 25554 9560 1 10 . 1 1 91 91 ASP CB C 91 39.938 39.938 41.957 -2.019 25554 9561 1 10 . 1 1 91 91 ASP H H 91 9.056 9.056 8.267 0.789 25554 9562 1 10 . 1 1 92 92 VAL N N 92 115.158 115.158 127.705 -12.547 25554 9563 1 10 . 1 1 92 92 VAL C C 92 173.342 173.342 177.849 -4.507 25554 9564 1 10 . 1 1 92 92 VAL CA C 92 64.534 64.534 66.326 -1.792 25554 9565 1 10 . 1 1 92 92 VAL CB C 92 37.596 37.596 32.044 5.553 25554 9566 1 10 . 1 1 92 92 VAL H H 92 7.738 7.738 8.910 -1.172 25554 9567 1 10 . 1 1 93 93 THR N N 93 112.302 112.302 114.058 -1.756 25554 9568 1 10 . 1 1 93 93 THR C C 93 177.152 177.152 174.792 2.360 25554 9569 1 10 . 1 1 93 93 THR CA C 93 64.534 64.534 65.828 -1.294 25554 9570 1 10 . 1 1 93 93 THR CB C 93 72.147 72.147 69.102 3.045 25554 9571 1 10 . 1 1 93 93 THR H H 93 7.269 7.269 8.640 -1.371 25554 9572 1 10 . 1 1 94 94 SER N N 94 122.263 122.263 115.338 6.925 25554 9573 1 10 . 1 1 94 94 SER C C 94 163.965 163.965 175.179 -11.214 25554 9574 1 10 . 1 1 94 94 SER CA C 94 59.849 59.849 55.845 4.004 25554 9575 1 10 . 1 1 94 94 SER CB C 94 62.192 62.192 63.678 -1.486 25554 9576 1 10 . 1 1 94 94 SER H H 94 7.628 7.628 7.598 0.030 25554 9577 1 10 . 1 1 95 95 ARG N N 95 113.099 113.099 128.728 -15.629 25554 9578 1 10 . 1 1 95 95 ARG C C 95 176.273 176.273 177.992 -1.719 25554 9579 1 10 . 1 1 95 95 ARG CA C 95 53.407 53.407 59.406 -5.999 25554 9580 1 10 . 1 1 95 95 ARG CB C 95 31.154 31.154 30.085 1.069 25554 9581 1 10 . 1 1 95 95 ARG H H 95 8.102 8.102 9.134 -1.032 25554 9582 1 10 . 1 1 96 96 VAL N N 96 124.787 124.787 118.959 5.828 25554 9583 1 10 . 1 1 96 96 VAL C C 96 178.031 178.031 177.389 0.642 25554 9584 1 10 . 1 1 96 96 VAL CA C 96 68.634 68.634 66.115 2.519 25554 9585 1 10 . 1 1 96 96 VAL CB C 96 24.126 24.126 31.495 -7.369 25554 9586 1 10 . 1 1 96 96 VAL H H 96 9.146 9.146 7.962 1.184 25554 9587 1 10 . 1 1 97 97 THR N N 97 111.970 111.970 114.067 -2.097 25554 9588 1 10 . 1 1 97 97 THR C C 97 178.031 178.031 176.442 1.589 25554 9589 1 10 . 1 1 97 97 THR CA C 97 63.949 63.949 65.602 -1.653 25554 9590 1 10 . 1 1 97 97 THR CB C 97 70.390 70.390 68.981 1.409 25554 9591 1 10 . 1 1 97 97 THR H H 97 7.984 7.984 7.664 0.320 25554 9592 1 10 . 1 1 98 98 TYR N N 98 113.232 113.232 122.698 -9.466 25554 9593 1 10 . 1 1 98 98 TYR C C 98 176.273 176.273 177.330 -1.057 25554 9594 1 10 . 1 1 98 98 TYR H H 98 7.605 7.605 7.700 -0.095 25554 9595 1 10 . 1 1 99 99 LYS N N 99 121.998 121.998 118.904 3.094 25554 9596 1 10 . 1 1 99 99 LYS C C 99 174.221 174.221 178.761 -4.540 25554 9597 1 10 . 1 1 99 99 LYS CA C 99 59.264 59.264 59.303 -0.039 25554 9598 1 10 . 1 1 99 99 LYS CB C 99 34.668 34.668 32.614 2.054 25554 9599 1 10 . 1 1 99 99 LYS H H 99 8.129 8.129 8.126 0.003 25554 9600 1 10 . 1 1 100 100 ASN N N 100 111.970 111.970 117.860 -5.890 25554 9601 1 10 . 1 1 100 100 ASN C C 100 175.979 175.979 177.559 -1.580 25554 9602 1 10 . 1 1 100 100 ASN CA C 100 53.407 53.407 55.020 -1.613 25554 9603 1 10 . 1 1 100 100 ASN CB C 100 37.596 37.596 38.286 -0.690 25554 9604 1 10 . 1 1 100 100 ASN H H 100 5.778 5.778 8.038 -2.260 25554 9605 1 10 . 1 1 101 101 VAL N N 101 118.877 118.877 121.333 -2.456 25554 9606 1 10 . 1 1 101 101 VAL C C 101 173.635 173.635 174.642 -1.007 25554 9607 1 10 . 1 1 101 101 VAL CA C 101 62.777 62.777 68.744 -5.967 25554 9608 1 10 . 1 1 101 101 VAL CB C 101 27.054 27.054 29.261 -2.207 25554 9609 1 10 . 1 1 101 101 VAL H H 101 7.370 7.370 7.826 -0.456 25554 9610 1 10 . 1 1 102 102 PRO C C 102 176.566 176.566 178.658 -2.092 25554 9611 1 10 . 1 1 102 102 PRO CA C 102 62.500 62.500 66.644 -4.144 25554 9612 1 10 . 1 1 102 102 PRO CB C 102 30.853 30.853 31.316 -0.463 25554 9613 1 10 . 1 1 103 103 ASN N N 103 122.728 122.728 116.852 5.876 25554 9614 1 10 . 1 1 103 103 ASN C C 103 175.100 175.100 177.450 -2.350 25554 9615 1 10 . 1 1 103 103 ASN CA C 103 54.579 54.579 55.844 -1.265 25554 9616 1 10 . 1 1 103 103 ASN CB C 103 38.767 38.767 37.600 1.167 25554 9617 1 10 . 1 1 103 103 ASN H H 103 7.879 7.879 8.171 -0.292 25554 9618 1 10 . 1 1 104 104 TRP N N 104 132.158 132.158 121.090 11.068 25554 9619 1 10 . 1 1 104 104 TRP C C 104 176.273 176.273 178.877 -2.604 25554 9620 1 10 . 1 1 104 104 TRP CA C 104 60.435 60.435 61.473 -1.038 25554 9621 1 10 . 1 1 104 104 TRP CB C 104 29.983 29.983 29.288 0.695 25554 9622 1 10 . 1 1 104 104 TRP H H 104 9.541 9.541 8.174 1.367 25554 9623 1 10 . 1 1 105 105 HIS N N 105 120.869 120.869 118.826 2.043 25554 9624 1 10 . 1 1 105 105 HIS C C 105 177.738 177.738 177.440 0.298 25554 9625 1 10 . 1 1 105 105 HIS H H 105 6.971 6.971 8.671 -1.700 25554 9626 1 10 . 1 1 106 106 ARG N N 106 126.314 126.314 119.239 7.075 25554 9627 1 10 . 1 1 106 106 ARG C C 106 176.566 176.566 178.427 -1.861 25554 9628 1 10 . 1 1 106 106 ARG CA C 106 62.777 62.777 59.868 2.909 25554 9629 1 10 . 1 1 106 106 ARG CB C 106 29.397 29.397 30.073 -0.676 25554 9630 1 10 . 1 1 106 106 ARG H H 106 7.507 7.507 8.364 -0.857 25554 9631 1 10 . 1 1 107 107 ASP N N 107 119.076 119.076 120.007 -0.931 25554 9632 1 10 . 1 1 107 107 ASP C C 107 176.566 176.566 178.617 -2.051 25554 9633 1 10 . 1 1 107 107 ASP CA C 107 55.164 55.164 57.147 -1.983 25554 9634 1 10 . 1 1 107 107 ASP CB C 107 41.695 41.695 40.357 1.338 25554 9635 1 10 . 1 1 107 107 ASP H H 107 9.076 9.076 8.089 0.987 25554 9636 1 10 . 1 1 108 108 LEU N N 108 113.299 113.299 121.585 -8.286 25554 9637 1 10 . 1 1 108 108 LEU C C 108 176.273 176.273 177.931 -1.658 25554 9638 1 10 . 1 1 108 108 LEU CA C 108 59.264 59.264 57.648 1.616 25554 9639 1 10 . 1 1 108 108 LEU CB C 108 48.722 48.722 41.914 6.808 25554 9640 1 10 . 1 1 108 108 LEU H H 108 6.725 6.725 8.052 -1.327 25554 9641 1 10 . 1 1 109 109 VAL N N 109 121.267 121.267 118.683 2.584 25554 9642 1 10 . 1 1 109 109 VAL C C 109 175.393 175.393 178.060 -2.667 25554 9643 1 10 . 1 1 109 109 VAL CA C 109 63.949 63.949 65.804 -1.855 25554 9644 1 10 . 1 1 109 109 VAL CB C 109 32.911 32.911 31.411 1.500 25554 9645 1 10 . 1 1 109 109 VAL H H 109 8.763 8.763 8.136 0.627 25554 9646 1 10 . 1 1 110 110 ARG N N 110 112.900 112.900 119.176 -6.276 25554 9647 1 10 . 1 1 110 110 ARG C C 110 176.273 176.273 178.043 -1.770 25554 9648 1 10 . 1 1 110 110 ARG CA C 110 57.507 57.507 58.864 -1.357 25554 9649 1 10 . 1 1 110 110 ARG CB C 110 30.568 30.568 30.343 0.225 25554 9650 1 10 . 1 1 110 110 ARG H H 110 7.241 7.241 7.502 -0.261 25554 9651 1 10 . 1 1 111 111 VAL N N 111 115.556 115.556 116.783 -1.227 25554 9652 1 10 . 1 1 111 111 VAL C C 111 177.445 177.445 176.460 0.985 25554 9653 1 10 . 1 1 111 111 VAL CA C 111 59.849 59.849 65.194 -5.345 25554 9654 1 10 . 1 1 111 111 VAL CB C 111 32.911 32.911 32.599 0.312 25554 9655 1 10 . 1 1 111 111 VAL H H 111 7.566 7.566 7.386 0.180 25554 9656 1 10 . 1 1 112 112 CYS N N 112 114.295 114.295 118.548 -4.253 25554 9657 1 10 . 1 1 112 112 CYS C C 112 169.826 169.826 172.821 -2.995 25554 9658 1 10 . 1 1 112 112 CYS CA C 112 57.507 57.507 58.106 -0.599 25554 9659 1 10 . 1 1 112 112 CYS CB C 112 35.839 35.839 30.748 5.091 25554 9660 1 10 . 1 1 112 112 CYS H H 112 7.425 7.425 8.074 -0.649 25554 9661 1 10 . 1 1 113 113 GLU N N 113 116.486 116.486 125.569 -9.083 25554 9662 1 10 . 1 1 113 113 GLU C C 113 176.566 176.566 175.688 0.878 25554 9663 1 10 . 1 1 113 113 GLU CA C 113 69.219 69.219 56.180 13.039 25554 9664 1 10 . 1 1 113 113 GLU CB C 113 30.568 30.568 30.905 -0.338 25554 9665 1 10 . 1 1 113 113 GLU H H 113 7.241 7.241 8.666 -1.425 25554 9666 1 10 . 1 1 114 114 ASN N N 114 129.302 129.302 118.653 10.649 25554 9667 1 10 . 1 1 114 114 ASN C C 114 175.100 175.100 174.734 0.366 25554 9668 1 10 . 1 1 114 114 ASN CA C 114 52.236 52.236 54.312 -2.076 25554 9669 1 10 . 1 1 114 114 ASN CB C 114 39.938 39.938 37.161 2.777 25554 9670 1 10 . 1 1 114 114 ASN H H 114 8.919 8.919 8.764 0.155 25554 9671 1 10 . 1 1 115 115 ILE N N 115 110.443 110.443 114.565 -4.122 25554 9672 1 10 . 1 1 115 115 ILE C C 115 175.100 175.100 174.690 0.410 25554 9673 1 10 . 1 1 115 115 ILE CA C 115 65.705 65.705 59.115 6.590 25554 9674 1 10 . 1 1 115 115 ILE CB C 115 39.353 39.353 38.165 1.188 25554 9675 1 10 . 1 1 115 115 ILE H H 115 9.287 9.287 7.481 1.806 25554 9676 1 10 . 1 1 116 116 PRO C C 116 175.979 175.979 175.618 0.361 25554 9677 1 10 . 1 1 116 116 PRO CA C 116 63.086 63.086 62.880 0.206 25554 9678 1 10 . 1 1 116 116 PRO CB C 116 29.681 29.681 32.453 -2.772 25554 9679 1 10 . 1 1 117 117 ILE N N 117 123.591 123.591 124.783 -1.192 25554 9680 1 10 . 1 1 117 117 ILE C C 117 174.807 174.807 175.053 -0.246 25554 9681 1 10 . 1 1 117 117 ILE CA C 117 66.291 66.291 60.006 6.285 25554 9682 1 10 . 1 1 117 117 ILE CB C 117 38.767 38.767 42.243 -3.476 25554 9683 1 10 . 1 1 117 117 ILE H H 117 7.781 7.781 8.788 -1.007 25554 9684 1 10 . 1 1 118 118 VAL N N 118 119.009 119.009 125.218 -6.209 25554 9685 1 10 . 1 1 118 118 VAL C C 118 178.324 178.324 174.173 4.151 25554 9686 1 10 . 1 1 118 118 VAL CA C 118 62.777 62.777 60.463 2.314 25554 9687 1 10 . 1 1 118 118 VAL CB C 118 31.154 31.154 34.957 -3.803 25554 9688 1 10 . 1 1 118 118 VAL H H 118 8.767 8.767 8.894 -0.127 25554 9689 1 10 . 1 1 119 119 LEU N N 119 119.408 119.408 129.005 -9.597 25554 9690 1 10 . 1 1 119 119 LEU C C 119 178.031 178.031 174.682 3.349 25554 9691 1 10 . 1 1 119 119 LEU CA C 119 42.866 42.866 53.327 -10.461 25554 9692 1 10 . 1 1 119 119 LEU CB C 119 38.767 38.767 44.695 -5.928 25554 9693 1 10 . 1 1 119 119 LEU H H 119 7.734 7.734 8.722 -0.988 25554 9694 1 10 . 1 1 120 120 CYS N N 120 113.232 113.232 125.833 -12.601 25554 9695 1 10 . 1 1 120 120 CYS C C 120 178.031 178.031 173.580 4.451 25554 9696 1 10 . 1 1 120 120 CYS H H 120 8.317 8.317 9.188 -0.871 25554 9697 1 10 . 1 1 121 121 GLY N N 121 117.349 117.349 112.473 4.876 25554 9698 1 10 . 1 1 121 121 GLY C C 121 176.851 176.851 172.487 4.364 25554 9699 1 10 . 1 1 121 121 GLY CA C 121 41.109 41.109 43.660 -2.551 25554 9700 1 10 . 1 1 121 121 GLY H H 121 7.515 7.515 8.612 -1.097 25554 9701 1 10 . 1 1 122 122 ASN N N 122 125.318 125.318 124.610 0.708 25554 9702 1 10 . 1 1 122 122 ASN C C 122 175.686 175.686 175.318 0.368 25554 9703 1 10 . 1 1 122 122 ASN CA C 122 50.479 50.479 50.515 -0.036 25554 9704 1 10 . 1 1 122 122 ASN CB C 122 39.353 39.353 42.040 -2.687 25554 9705 1 10 . 1 1 122 122 ASN H H 122 9.162 9.162 8.578 0.584 25554 9706 1 10 . 1 1 123 123 LYS N N 123 124.920 124.920 116.216 8.704 25554 9707 1 10 . 1 1 123 123 LYS C C 123 176.566 176.566 177.565 -0.999 25554 9708 1 10 . 1 1 123 123 LYS CA C 123 70.976 70.976 57.297 13.679 25554 9709 1 10 . 1 1 123 123 LYS CB C 123 35.253 35.253 29.981 5.272 25554 9710 1 10 . 1 1 123 123 LYS H H 123 8.086 8.086 9.019 -0.933 25554 9711 1 10 . 1 1 124 124 VAL N N 124 125.517 125.517 113.000 12.517 25554 9712 1 10 . 1 1 124 124 VAL C C 124 177.738 177.738 176.226 1.512 25554 9713 1 10 . 1 1 124 124 VAL CA C 124 62.777 62.777 65.171 -2.394 25554 9714 1 10 . 1 1 124 124 VAL CB C 124 33.496 33.496 32.031 1.465 25554 9715 1 10 . 1 1 124 124 VAL H H 124 9.483 9.483 7.429 2.054 25554 9716 1 10 . 1 1 125 125 ASP N N 125 119.607 119.607 119.133 0.474 25554 9717 1 10 . 1 1 125 125 ASP C C 125 176.566 176.566 177.106 -0.540 25554 9718 1 10 . 1 1 125 125 ASP CA C 125 55.750 55.750 56.126 -0.376 25554 9719 1 10 . 1 1 125 125 ASP CB C 125 40.524 40.524 40.560 -0.037 25554 9720 1 10 . 1 1 125 125 ASP H H 125 7.875 7.875 8.240 -0.365 25554 9721 1 10 . 1 1 126 126 ILE N N 126 116.088 116.088 120.811 -4.723 25554 9722 1 10 . 1 1 126 126 ILE C C 126 177.152 177.152 175.867 1.285 25554 9723 1 10 . 1 1 126 126 ILE CA C 126 66.291 66.291 61.558 4.733 25554 9724 1 10 . 1 1 126 126 ILE CB C 126 39.353 39.353 38.667 0.686 25554 9725 1 10 . 1 1 126 126 ILE H H 126 7.511 7.511 7.337 0.174 25554 9726 1 10 . 1 1 127 127 LYS N N 127 117.681 117.681 123.669 -5.988 25554 9727 1 10 . 1 1 127 127 LYS C C 127 177.152 177.152 177.507 -0.355 25554 9728 1 10 . 1 1 127 127 LYS CA C 127 57.507 57.507 57.959 -0.452 25554 9729 1 10 . 1 1 127 127 LYS CB C 127 31.154 31.154 32.625 -1.471 25554 9730 1 10 . 1 1 127 127 LYS H H 127 8.059 8.059 8.305 -0.246 25554 9731 1 10 . 1 1 128 128 ASP N N 128 118.279 118.279 120.130 -1.851 25554 9732 1 10 . 1 1 128 128 ASP C C 128 176.566 176.566 175.015 1.551 25554 9733 1 10 . 1 1 128 128 ASP CA C 128 53.407 53.407 52.803 0.604 25554 9734 1 10 . 1 1 128 128 ASP CB C 128 40.524 40.524 39.339 1.185 25554 9735 1 10 . 1 1 128 128 ASP H H 128 7.241 7.241 8.202 -0.961 25554 9736 1 10 . 1 1 129 129 ARG N N 129 118.943 118.943 122.014 -3.071 25554 9737 1 10 . 1 1 129 129 ARG C C 129 177.738 177.738 176.220 1.518 25554 9738 1 10 . 1 1 129 129 ARG CA C 129 45.794 45.794 55.580 -9.786 25554 9739 1 10 . 1 1 129 129 ARG CB C 129 31.154 31.154 30.247 0.907 25554 9740 1 10 . 1 1 129 129 ARG H H 129 8.423 8.423 7.598 0.825 25554 9741 1 10 . 1 1 130 130 LYS N N 130 109.381 109.381 122.290 -12.909 25554 9742 1 10 . 1 1 130 130 LYS C C 130 176.566 176.566 176.908 -0.342 25554 9743 1 10 . 1 1 130 130 LYS CA C 130 55.164 55.164 57.316 -2.152 25554 9744 1 10 . 1 1 130 130 LYS CB C 130 36.424 36.424 32.796 3.628 25554 9745 1 10 . 1 1 130 130 LYS H H 130 7.296 7.296 8.550 -1.254 25554 9746 1 10 . 1 1 131 131 VAL N N 131 110.377 110.377 120.476 -10.099 25554 9747 1 10 . 1 1 131 131 VAL C C 131 178.617 178.617 175.088 3.529 25554 9748 1 10 . 1 1 131 131 VAL CA C 131 65.705 65.705 62.063 3.642 25554 9749 1 10 . 1 1 131 131 VAL CB C 131 35.839 35.839 31.966 3.873 25554 9750 1 10 . 1 1 131 131 VAL H H 131 9.283 9.283 8.154 1.129 25554 9751 1 10 . 1 1 132 132 LYS N N 132 110.310 110.310 126.207 -15.897 25554 9752 1 10 . 1 1 132 132 LYS C C 132 176.273 176.273 177.757 -1.484 25554 9753 1 10 . 1 1 132 132 LYS CA C 132 59.849 59.849 55.006 4.843 25554 9754 1 10 . 1 1 132 132 LYS CB C 132 35.253 35.253 34.117 1.136 25554 9755 1 10 . 1 1 132 132 LYS H H 132 9.709 9.709 7.872 1.837 25554 9756 1 10 . 1 1 133 133 ALA N N 133 134.349 134.349 124.891 9.458 25554 9757 1 10 . 1 1 133 133 ALA CA C 133 51.065 51.065 55.491 -4.426 25554 9758 1 10 . 1 1 133 133 ALA CB C 133 12.999 12.999 18.192 -5.194 25554 9759 1 10 . 1 1 133 133 ALA H H 133 6.322 6.322 8.922 -2.600 25554 9760 1 10 . 1 1 134 134 LYS N N 134 117.615 117.615 115.961 1.654 25554 9761 1 10 . 1 1 134 134 LYS C C 134 176.859 176.859 177.610 -0.751 25554 9762 1 10 . 1 1 134 134 LYS CA C 134 55.750 55.750 59.000 -3.250 25554 9763 1 10 . 1 1 134 134 LYS CB C 134 54.579 54.579 32.262 22.317 25554 9764 1 10 . 1 1 134 134 LYS H H 134 6.549 6.549 8.320 -1.771 25554 9765 1 10 . 1 1 135 135 SER N N 135 109.314 109.314 111.883 -2.569 25554 9766 1 10 . 1 1 135 135 SER C C 135 173.635 173.635 174.699 -1.064 25554 9767 1 10 . 1 1 135 135 SER CA C 135 56.336 56.336 59.088 -2.752 25554 9768 1 10 . 1 1 135 135 SER CB C 135 63.949 63.949 63.547 0.402 25554 9769 1 10 . 1 1 135 135 SER H H 135 7.840 7.840 7.621 0.219 25554 9770 1 10 . 1 1 136 136 ILE N N 136 124.123 124.123 124.926 -0.803 25554 9771 1 10 . 1 1 136 136 ILE C C 136 175.100 175.100 176.590 -1.490 25554 9772 1 10 . 1 1 136 136 ILE CA C 136 68.634 68.634 61.468 7.166 25554 9773 1 10 . 1 1 136 136 ILE CB C 136 43.452 43.452 35.862 7.590 25554 9774 1 10 . 1 1 136 136 ILE H H 136 8.098 8.098 7.546 0.552 25554 9775 1 10 . 1 1 137 137 VAL N N 137 113.232 113.232 122.248 -9.016 25554 9776 1 10 . 1 1 137 137 VAL C C 137 176.859 176.859 176.411 0.448 25554 9777 1 10 . 1 1 137 137 VAL CA C 137 64.534 64.534 62.798 1.736 25554 9778 1 10 . 1 1 137 137 VAL CB C 137 34.082 34.082 31.699 2.383 25554 9779 1 10 . 1 1 137 137 VAL H H 137 7.711 7.711 8.046 -0.335 25554 9780 1 10 . 1 1 138 138 PHE N N 138 118.279 118.279 122.329 -4.050 25554 9781 1 10 . 1 1 138 138 PHE C C 138 175.393 175.393 176.292 -0.899 25554 9782 1 10 . 1 1 138 138 PHE CA C 138 58.092 58.092 61.895 -3.803 25554 9783 1 10 . 1 1 138 138 PHE CB C 138 39.353 39.353 39.415 -0.062 25554 9784 1 10 . 1 1 138 138 PHE H H 138 8.317 8.317 8.046 0.271 25554 9785 1 10 . 1 1 139 139 HIS N N 139 107.654 107.654 115.573 -7.919 25554 9786 1 10 . 1 1 139 139 HIS C C 139 175.979 175.979 177.209 -1.230 25554 9787 1 10 . 1 1 139 139 HIS CA C 139 53.993 53.993 59.071 -5.078 25554 9788 1 10 . 1 1 139 139 HIS CB C 139 28.811 28.811 28.910 -0.099 25554 9789 1 10 . 1 1 139 139 HIS H H 139 8.016 8.016 8.739 -0.723 25554 9790 1 10 . 1 1 140 140 ARG N N 140 117.084 117.084 119.324 -2.240 25554 9791 1 10 . 1 1 140 140 ARG C C 140 176.859 176.859 178.154 -1.295 25554 9792 1 10 . 1 1 140 140 ARG CA C 140 57.507 57.507 58.974 -1.467 25554 9793 1 10 . 1 1 140 140 ARG CB C 140 31.739 31.739 29.724 2.015 25554 9794 1 10 . 1 1 140 140 ARG H H 140 8.763 8.763 6.732 2.031 25554 9795 1 10 . 1 1 141 141 LYS N N 141 115.623 115.623 117.616 -1.993 25554 9796 1 10 . 1 1 141 141 LYS C C 141 173.635 173.635 178.341 -4.706 25554 9797 1 10 . 1 1 141 141 LYS CA C 141 58.092 58.092 58.397 -0.305 25554 9798 1 10 . 1 1 141 141 LYS CB C 141 33.496 33.496 32.319 1.177 25554 9799 1 10 . 1 1 141 141 LYS H H 141 7.449 7.449 7.416 0.033 25554 9800 1 10 . 1 1 142 142 LYS N N 142 114.162 114.162 115.296 -1.134 25554 9801 1 10 . 1 1 142 142 LYS C C 142 175.979 175.979 176.503 -0.524 25554 9802 1 10 . 1 1 142 142 LYS CA C 142 51.065 51.065 55.455 -4.390 25554 9803 1 10 . 1 1 142 142 LYS CB C 142 34.668 34.668 32.613 2.055 25554 9804 1 10 . 1 1 142 142 LYS H H 142 8.982 8.982 7.322 1.660 25554 9805 1 10 . 1 1 143 143 ASN N N 143 112.103 112.103 114.701 -2.598 25554 9806 1 10 . 1 1 143 143 ASN C C 143 175.100 175.100 174.643 0.457 25554 9807 1 10 . 1 1 143 143 ASN CA C 143 53.407 53.407 53.658 -0.251 25554 9808 1 10 . 1 1 143 143 ASN CB C 143 39.938 39.938 36.873 3.065 25554 9809 1 10 . 1 1 143 143 ASN H H 143 7.402 7.402 8.417 -1.015 25554 9810 1 10 . 1 1 144 144 LEU N N 144 118.810 118.810 118.791 0.019 25554 9811 1 10 . 1 1 144 144 LEU CA C 144 53.993 53.993 55.183 -1.190 25554 9812 1 10 . 1 1 144 144 LEU CB C 144 42.866 42.866 42.734 0.132 25554 9813 1 10 . 1 1 144 144 LEU H H 144 7.793 7.793 7.381 0.412 25554 9814 1 10 . 1 1 145 145 GLN N N 145 119.607 119.607 120.922 -1.315 25554 9815 1 10 . 1 1 145 145 GLN C C 145 176.859 176.859 173.954 2.905 25554 9816 1 10 . 1 1 145 145 GLN CA C 145 55.164 55.164 53.751 1.413 25554 9817 1 10 . 1 1 145 145 GLN CB C 145 29.983 29.983 30.256 -0.273 25554 9818 1 10 . 1 1 145 145 GLN H H 145 7.014 7.014 7.787 -0.773 25554 9819 1 10 . 1 1 146 146 TYR N N 146 119.275 119.275 126.846 -7.571 25554 9820 1 10 . 1 1 146 146 TYR C C 146 174.807 174.807 174.364 0.443 25554 9821 1 10 . 1 1 146 146 TYR CA C 146 62.777 62.777 56.014 6.763 25554 9822 1 10 . 1 1 146 146 TYR CB C 146 41.109 41.109 40.954 0.155 25554 9823 1 10 . 1 1 146 146 TYR H H 146 9.350 9.350 8.124 1.226 25554 9824 1 10 . 1 1 147 147 TYR N N 147 123.658 123.658 125.201 -1.543 25554 9825 1 10 . 1 1 147 147 TYR C C 147 177.738 177.738 173.909 3.829 25554 9826 1 10 . 1 1 147 147 TYR CA C 147 58.092 58.092 56.075 2.018 25554 9827 1 10 . 1 1 147 147 TYR CB C 147 39.938 39.938 41.889 -1.951 25554 9828 1 10 . 1 1 147 147 TYR H H 147 8.340 8.340 8.179 0.161 25554 9829 1 10 . 1 1 148 148 ASP N N 148 121.267 121.267 123.494 -2.227 25554 9830 1 10 . 1 1 148 148 ASP C C 148 176.859 176.859 174.990 1.869 25554 9831 1 10 . 1 1 148 148 ASP CA C 148 54.579 54.579 54.705 -0.126 25554 9832 1 10 . 1 1 148 148 ASP CB C 148 41.109 41.109 40.099 1.010 25554 9833 1 10 . 1 1 148 148 ASP H H 148 8.911 8.911 8.431 0.479 25554 9834 1 10 . 1 1 149 149 ILE N N 149 119.607 119.607 125.085 -5.478 25554 9835 1 10 . 1 1 149 149 ILE C C 149 174.807 174.807 174.638 0.169 25554 9836 1 10 . 1 1 149 149 ILE CA C 149 61.020 61.020 59.953 1.067 25554 9837 1 10 . 1 1 149 149 ILE CB C 149 39.353 39.353 42.428 -3.075 25554 9838 1 10 . 1 1 149 149 ILE H H 149 8.712 8.712 8.810 -0.098 25554 9839 1 10 . 1 1 150 150 SER N N 150 117.349 117.349 120.601 -3.252 25554 9840 1 10 . 1 1 150 150 SER C C 150 175.686 175.686 174.650 1.036 25554 9841 1 10 . 1 1 150 150 SER CA C 150 60.435 60.435 55.356 5.079 25554 9842 1 10 . 1 1 150 150 SER CB C 150 62.192 62.192 64.829 -2.637 25554 9843 1 10 . 1 1 150 150 SER H H 150 8.454 8.454 8.794 -0.340 25554 9844 1 10 . 1 1 151 151 ALA N N 151 131.162 131.162 131.971 -0.809 25554 9845 1 10 . 1 1 151 151 ALA C C 151 160.742 160.742 179.510 -18.768 25554 9846 1 10 . 1 1 151 151 ALA CA C 151 53.993 53.993 55.134 -1.141 25554 9847 1 10 . 1 1 151 151 ALA CB C 151 22.369 22.369 18.724 3.645 25554 9848 1 10 . 1 1 151 151 ALA H H 151 10.640 10.640 9.205 1.435 25554 9849 1 10 . 1 1 152 152 LYS N N 152 121.400 121.400 118.362 3.038 25554 9850 1 10 . 1 1 152 152 LYS C C 152 174.221 174.221 178.268 -4.047 25554 9851 1 10 . 1 1 152 152 LYS CA C 152 59.849 59.849 59.337 0.512 25554 9852 1 10 . 1 1 152 152 LYS CB C 152 34.668 34.668 32.565 2.103 25554 9853 1 10 . 1 1 152 152 LYS H H 152 9.099 9.099 8.414 0.685 25554 9854 1 10 . 1 1 153 153 SER N N 153 115.212 115.212 111.886 3.326 25554 9855 1 10 . 1 1 153 153 SER C C 153 177.152 177.152 174.922 2.230 25554 9856 1 10 . 1 1 153 153 SER CA C 153 62.192 62.192 59.369 2.823 25554 9857 1 10 . 1 1 153 153 SER CB C 153 66.291 66.291 64.130 2.161 25554 9858 1 10 . 1 1 153 153 SER H H 153 8.935 8.935 7.896 1.039 25554 9859 1 10 . 1 1 154 154 ASN N N 154 119.341 119.341 116.820 2.521 25554 9860 1 10 . 1 1 154 154 ASN C C 154 175.979 175.979 174.066 1.913 25554 9861 1 10 . 1 1 154 154 ASN CA C 154 49.894 49.894 54.606 -4.712 25554 9862 1 10 . 1 1 154 154 ASN CB C 154 39.353 39.353 36.605 2.748 25554 9863 1 10 . 1 1 154 154 ASN H H 154 7.488 7.488 8.043 -0.555 25554 9864 1 10 . 1 1 155 155 TYR N N 155 113.498 113.498 122.635 -9.137 25554 9865 1 10 . 1 1 155 155 TYR C C 155 173.928 173.928 174.421 -0.493 25554 9866 1 10 . 1 1 155 155 TYR CA C 155 56.336 56.336 58.169 -1.833 25554 9867 1 10 . 1 1 155 155 TYR CB C 155 37.596 37.596 38.460 -0.864 25554 9868 1 10 . 1 1 155 155 TYR H H 155 6.486 6.486 8.197 -1.711 25554 9869 1 10 . 1 1 156 156 ASN N N 156 122.396 122.396 123.347 -0.951 25554 9870 1 10 . 1 1 156 156 ASN C C 156 175.979 175.979 174.553 1.426 25554 9871 1 10 . 1 1 156 156 ASN CA C 156 51.651 51.651 53.847 -2.196 25554 9872 1 10 . 1 1 156 156 ASN CB C 156 38.767 38.767 36.057 2.709 25554 9873 1 10 . 1 1 156 156 ASN H H 156 8.352 8.352 8.492 -0.140 25554 9874 1 10 . 1 1 157 157 PHE N N 157 123.459 123.459 115.286 8.173 25554 9875 1 10 . 1 1 157 157 PHE C C 157 174.221 174.221 176.677 -2.456 25554 9876 1 10 . 1 1 157 157 PHE CA C 157 57.507 57.507 60.349 -2.842 25554 9877 1 10 . 1 1 157 157 PHE CB C 157 39.353 39.353 38.211 1.142 25554 9878 1 10 . 1 1 157 157 PHE H H 157 7.429 7.429 8.462 -1.033 25554 9879 1 10 . 1 1 158 158 GLU N N 158 112.568 112.568 120.143 -7.575 25554 9880 1 10 . 1 1 158 158 GLU C C 158 176.566 176.566 177.836 -1.270 25554 9881 1 10 . 1 1 158 158 GLU CA C 158 72.147 72.147 58.947 13.200 25554 9882 1 10 . 1 1 158 158 GLU CB C 158 27.640 27.640 28.328 -0.688 25554 9883 1 10 . 1 1 158 158 GLU H H 158 7.495 7.495 7.910 -0.415 25554 9884 1 10 . 1 1 159 159 LYS N N 159 113.232 113.232 120.440 -7.208 25554 9885 1 10 . 1 1 159 159 LYS C C 159 176.566 176.566 175.397 1.169 25554 9886 1 10 . 1 1 159 159 LYS CA C 159 53.993 53.993 60.513 -6.520 25554 9887 1 10 . 1 1 159 159 LYS CB C 159 33.496 33.496 29.936 3.560 25554 9888 1 10 . 1 1 159 159 LYS H H 159 6.862 6.862 8.042 -1.180 25554 9889 1 10 . 1 1 160 160 PRO C C 160 176.273 176.273 178.622 -2.349 25554 9890 1 10 . 1 1 160 160 PRO CA C 160 64.258 64.258 65.640 -1.382 25554 9891 1 10 . 1 1 160 160 PRO CB C 160 32.318 32.318 31.138 1.180 25554 9892 1 10 . 1 1 161 161 PHE N N 161 120.271 120.271 115.741 4.530 25554 9893 1 10 . 1 1 161 161 PHE C C 161 175.100 175.100 177.671 -2.571 25554 9894 1 10 . 1 1 161 161 PHE CA C 161 56.336 56.336 61.910 -5.574 25554 9895 1 10 . 1 1 161 161 PHE CB C 161 39.353 39.353 37.908 1.445 25554 9896 1 10 . 1 1 161 161 PHE H H 161 8.074 8.074 7.261 0.813 25554 9897 1 10 . 1 1 162 162 LEU N N 162 110.177 110.177 120.667 -10.490 25554 9898 1 10 . 1 1 162 162 LEU C C 162 176.273 176.273 178.051 -1.778 25554 9899 1 10 . 1 1 162 162 LEU CA C 162 55.750 55.750 58.152 -2.402 25554 9900 1 10 . 1 1 162 162 LEU CB C 162 44.037 44.037 41.126 2.911 25554 9901 1 10 . 1 1 162 162 LEU H H 162 7.527 7.527 8.327 -0.800 25554 9902 1 10 . 1 1 163 163 TRP N N 163 123.525 123.525 121.023 2.502 25554 9903 1 10 . 1 1 163 163 TRP C C 163 177.152 177.152 178.132 -0.980 25554 9904 1 10 . 1 1 163 163 TRP CA C 163 61.606 61.606 62.463 -0.857 25554 9905 1 10 . 1 1 163 163 TRP CB C 163 28.811 28.811 29.573 -0.762 25554 9906 1 10 . 1 1 163 163 TRP H H 163 7.476 7.476 7.940 -0.464 25554 9907 1 10 . 1 1 164 164 LEU N N 164 119.740 119.740 118.942 0.798 25554 9908 1 10 . 1 1 164 164 LEU C C 164 175.686 175.686 179.148 -3.462 25554 9909 1 10 . 1 1 164 164 LEU CA C 164 61.020 61.020 57.862 3.158 25554 9910 1 10 . 1 1 164 164 LEU CB C 164 45.794 45.794 41.544 4.250 25554 9911 1 10 . 1 1 164 164 LEU H H 164 9.412 9.412 8.000 1.412 25554 9912 1 10 . 1 1 165 165 ALA N N 165 118.013 118.013 122.064 -4.051 25554 9913 1 10 . 1 1 165 165 ALA C C 165 165.723 165.723 179.594 -13.871 25554 9914 1 10 . 1 1 165 165 ALA CA C 165 52.236 52.236 55.391 -3.155 25554 9915 1 10 . 1 1 165 165 ALA CB C 165 21.784 21.784 18.282 3.502 25554 9916 1 10 . 1 1 165 165 ALA H H 165 7.707 7.707 8.750 -1.043 25554 9917 1 10 . 1 1 166 166 ARG N N 166 122.994 122.994 118.275 4.719 25554 9918 1 10 . 1 1 166 166 ARG C C 166 175.979 175.979 178.966 -2.987 25554 9919 1 10 . 1 1 166 166 ARG CA C 166 49.308 49.308 59.393 -10.085 25554 9920 1 10 . 1 1 166 166 ARG CB C 166 29.397 29.397 30.053 -0.656 25554 9921 1 10 . 1 1 166 166 ARG H H 166 8.692 8.692 8.396 0.296 25554 9922 1 10 . 1 1 167 167 LYS N N 167 112.568 112.568 119.371 -6.803 25554 9923 1 10 . 1 1 167 167 LYS C C 167 176.273 176.273 179.259 -2.986 25554 9924 1 10 . 1 1 167 167 LYS CA C 167 58.092 58.092 58.384 -0.292 25554 9925 1 10 . 1 1 167 167 LYS CB C 167 34.668 34.668 31.566 3.102 25554 9926 1 10 . 1 1 167 167 LYS H H 167 6.819 6.819 7.606 -0.787 25554 9927 1 10 . 1 1 168 168 LEU N N 168 114.959 114.959 119.618 -4.659 25554 9928 1 10 . 1 1 168 168 LEU C C 168 177.738 177.738 179.044 -1.306 25554 9929 1 10 . 1 1 168 168 LEU CA C 168 56.921 56.921 57.378 -0.457 25554 9930 1 10 . 1 1 168 168 LEU CB C 168 41.695 41.695 41.421 0.274 25554 9931 1 10 . 1 1 168 168 LEU H H 168 7.269 7.269 7.896 -0.627 25554 9932 1 10 . 1 1 169 169 ILE N N 169 124.986 124.986 117.259 7.727 25554 9933 1 10 . 1 1 169 169 ILE C C 169 171.877 171.877 177.178 -5.301 25554 9934 1 10 . 1 1 169 169 ILE CA C 169 68.048 68.048 63.243 4.805 25554 9935 1 10 . 1 1 169 169 ILE CB C 169 39.353 39.353 38.578 0.775 25554 9936 1 10 . 1 1 169 169 ILE H H 169 8.915 8.915 8.226 0.689 25554 9937 1 10 . 1 1 170 170 GLY N N 170 113.099 113.099 106.829 6.270 25554 9938 1 10 . 1 1 170 170 GLY C C 170 162.496 162.496 173.917 -11.421 25554 9939 1 10 . 1 1 170 170 GLY CA C 170 44.037 44.037 45.004 -0.967 25554 9940 1 10 . 1 1 170 170 GLY H H 170 6.686 6.686 8.252 -1.566 25554 9941 1 10 . 1 1 171 171 ASP N N 171 113.232 113.232 121.227 -7.995 25554 9942 1 10 . 1 1 171 171 ASP C C 171 178.910 178.910 175.282 3.628 25554 9943 1 10 . 1 1 171 171 ASP CA C 171 50.479 50.479 50.467 0.012 25554 9944 1 10 . 1 1 171 171 ASP CB C 171 41.109 41.109 41.842 -0.733 25554 9945 1 10 . 1 1 171 171 ASP H H 171 6.815 6.815 7.748 -0.933 25554 9946 1 10 . 1 1 172 172 PRO C C 172 176.566 176.566 177.159 -0.593 25554 9947 1 10 . 1 1 172 172 PRO CA C 172 63.965 63.965 64.365 -0.400 25554 9948 1 10 . 1 1 172 172 PRO CB C 172 31.732 31.732 32.143 -0.411 25554 9949 1 10 . 1 1 173 173 ASN N N 173 109.779 109.779 114.712 -4.933 25554 9950 1 10 . 1 1 173 173 ASN C C 173 175.979 175.979 175.974 0.005 25554 9951 1 10 . 1 1 173 173 ASN CA C 173 54.579 54.579 53.840 0.739 25554 9952 1 10 . 1 1 173 173 ASN CB C 173 36.424 36.424 38.688 -2.264 25554 9953 1 10 . 1 1 173 173 ASN H H 173 8.016 8.016 8.646 -0.630 25554 9954 1 10 . 1 1 174 174 LEU N N 174 109.248 109.248 122.404 -13.156 25554 9955 1 10 . 1 1 174 174 LEU C C 174 176.566 176.566 175.220 1.346 25554 9956 1 10 . 1 1 174 174 LEU CA C 174 56.336 56.336 55.941 0.395 25554 9957 1 10 . 1 1 174 174 LEU CB C 174 44.037 44.037 42.570 1.467 25554 9958 1 10 . 1 1 174 174 LEU H H 174 7.871 7.871 7.273 0.598 25554 9959 1 10 . 1 1 175 175 GLU N N 175 125.185 125.185 126.662 -1.477 25554 9960 1 10 . 1 1 175 175 GLU C C 175 177.445 177.445 174.726 2.719 25554 9961 1 10 . 1 1 175 175 GLU CA C 175 76.247 76.247 54.747 21.500 25554 9962 1 10 . 1 1 175 175 GLU CB C 175 28.811 28.811 33.658 -4.848 25554 9963 1 10 . 1 1 175 175 GLU H H 175 9.127 9.127 8.259 0.868 25554 9964 1 10 . 1 1 176 176 PHE N N 176 136.873 136.873 121.112 15.761 25554 9965 1 10 . 1 1 176 176 PHE C C 176 178.617 178.617 175.654 2.963 25554 9966 1 10 . 1 1 176 176 PHE CA C 176 59.264 59.264 55.932 3.332 25554 9967 1 10 . 1 1 176 176 PHE CB C 176 44.623 44.623 39.067 5.556 25554 9968 1 10 . 1 1 176 176 PHE H H 176 10.058 10.058 8.859 1.199 25554 9969 1 10 . 1 1 177 177 VAL N N 177 118.877 118.877 123.777 -4.900 25554 9970 1 10 . 1 1 177 177 VAL C C 177 177.445 177.445 175.673 1.772 25554 9971 1 10 . 1 1 177 177 VAL CA C 177 62.777 62.777 63.274 -0.497 25554 9972 1 10 . 1 1 177 177 VAL CB C 177 34.668 34.668 32.842 1.826 25554 9973 1 10 . 1 1 177 177 VAL H H 177 7.789 7.789 9.229 -1.440 25554 9974 1 10 . 1 1 178 178 ALA N N 178 128.904 128.904 121.971 6.933 25554 9975 1 10 . 1 1 178 178 ALA CA C 178 57.507 57.507 51.221 6.286 25554 9976 1 10 . 1 1 178 178 ALA CB C 178 19.441 19.441 21.571 -2.130 25554 9977 1 10 . 1 1 178 178 ALA H H 178 7.566 7.566 8.067 -0.501 25554 9978 1 10 . 1 1 179 179 MET N N 179 120.736 120.736 123.079 -2.343 25554 9979 1 10 . 1 1 179 179 MET C C 179 176.859 176.859 175.412 1.447 25554 9980 1 10 . 1 1 179 179 MET CA C 179 56.336 56.336 53.084 3.252 25554 9981 1 10 . 1 1 179 179 MET CB C 179 34.668 34.668 31.110 3.558 25554 9982 1 10 . 1 1 179 179 MET H H 179 7.930 7.930 8.643 -0.713 25554 9983 1 10 . 1 1 180 180 PRO C C 180 177.445 177.445 175.936 1.509 25554 9984 1 10 . 1 1 180 180 PRO CA C 180 64.844 64.844 62.366 2.478 25554 9985 1 10 . 1 1 180 180 PRO CB C 180 29.974 29.974 32.288 -2.314 25554 9986 1 10 . 1 1 181 181 ALA N N 181 128.439 128.439 124.392 4.047 25554 9987 1 10 . 1 1 181 181 ALA C C 181 176.273 176.273 176.445 -0.172 25554 9988 1 10 . 1 1 181 181 ALA CA C 181 58.092 58.092 52.488 5.604 25554 9989 1 10 . 1 1 181 181 ALA CB C 181 21.198 21.198 19.334 1.864 25554 9990 1 10 . 1 1 181 181 ALA H H 181 8.673 8.673 8.341 0.332 25554 9991 1 10 . 1 1 182 182 LEU N N 182 122.130 122.130 122.665 -0.535 25554 9992 1 10 . 1 1 182 182 LEU C C 182 177.445 177.445 177.073 0.372 25554 9993 1 10 . 1 1 182 182 LEU CA C 182 55.164 55.164 52.513 2.651 25554 9994 1 10 . 1 1 182 182 LEU CB C 182 42.866 42.866 44.912 -2.046 25554 9995 1 10 . 1 1 182 182 LEU H H 182 8.821 8.821 8.092 0.729 25554 9996 1 10 . 1 1 183 183 ALA N N 183 108.783 108.783 124.725 -15.942 25554 9997 1 10 . 1 1 183 183 ALA C C 183 160.742 160.742 175.474 -14.732 25554 9998 1 10 . 1 1 183 183 ALA CA C 183 51.651 51.651 50.434 1.217 25554 9999 1 10 . 1 1 183 183 ALA CB C 183 18.856 18.856 18.178 0.678 25554 10000 1 10 . 1 1 183 183 ALA H H 183 7.621 7.621 8.347 -0.726 25554 10001 1 10 . 1 1 184 184 PRO C C 184 177.152 177.152 174.916 2.236 25554 10002 1 10 . 1 1 184 184 PRO CA C 184 64.258 64.258 61.912 2.346 25554 10003 1 10 . 1 1 184 184 PRO CB C 184 29.681 29.681 31.494 -1.813 25554 10004 1 10 . 1 1 185 185 PRO C C 185 175.686 175.686 177.069 -1.383 25554 10005 1 10 . 1 1 185 185 PRO CA C 185 63.379 63.379 63.016 0.363 25554 10006 1 10 . 1 1 185 185 PRO CB C 185 35.248 35.248 32.339 2.909 25554 10007 1 10 . 1 1 186 186 GLU N N 186 104.931 104.931 124.017 -19.086 25554 10008 1 10 . 1 1 186 186 GLU C C 186 174.221 174.221 176.443 -2.222 25554 10009 1 10 . 1 1 186 186 GLU CA C 186 57.507 57.507 58.604 -1.097 25554 10010 1 10 . 1 1 186 186 GLU CB C 186 31.739 31.739 30.230 1.509 25554 10011 1 10 . 1 1 186 186 GLU H H 186 8.673 8.673 8.671 0.002 25554 10012 1 10 . 1 1 187 187 VAL N N 187 124.455 124.455 111.174 13.281 25554 10013 1 10 . 1 1 187 187 VAL C C 187 178.910 178.910 174.152 4.758 25554 10014 1 10 . 1 1 187 187 VAL CA C 187 63.363 63.363 60.111 3.252 25554 10015 1 10 . 1 1 187 187 VAL CB C 187 34.082 34.082 34.930 -0.848 25554 10016 1 10 . 1 1 187 187 VAL H H 187 8.622 8.622 7.452 1.170 25554 10017 1 10 . 1 1 188 188 VAL N N 188 128.572 128.572 122.022 6.550 25554 10018 1 10 . 1 1 188 188 VAL C C 188 178.324 178.324 175.088 3.236 25554 10019 1 10 . 1 1 188 188 VAL CA C 188 68.634 68.634 60.838 7.796 25554 10020 1 10 . 1 1 188 188 VAL CB C 188 31.154 31.154 33.237 -2.083 25554 10021 1 10 . 1 1 188 188 VAL H H 188 8.497 8.497 8.177 0.320 25554 10022 1 10 . 1 1 189 189 MET N N 189 122.795 122.795 126.504 -3.709 25554 10023 1 10 . 1 1 189 189 MET C C 189 177.445 177.445 175.376 2.069 25554 10024 1 10 . 1 1 189 189 MET CA C 189 55.164 55.164 55.452 -0.288 25554 10025 1 10 . 1 1 189 189 MET CB C 189 35.253 35.253 33.328 1.925 25554 10026 1 10 . 1 1 189 189 MET H H 189 6.991 6.991 8.527 -1.536 25554 10027 1 10 . 1 1 190 190 ASP N N 190 114.959 114.959 127.601 -12.642 25554 10028 1 10 . 1 1 190 190 ASP C C 190 175.686 175.686 175.578 0.108 25554 10029 1 10 . 1 1 190 190 ASP CA C 190 51.065 51.065 52.026 -0.961 25554 10030 1 10 . 1 1 190 190 ASP CB C 190 41.695 41.695 42.270 -0.576 25554 10031 1 10 . 1 1 190 190 ASP H H 190 7.210 7.210 8.500 -1.290 25554 10032 1 10 . 1 1 191 191 PRO C C 191 176.566 176.566 178.090 -1.524 25554 10033 1 10 . 1 1 191 191 PRO CA C 191 63.965 63.965 65.436 -1.471 25554 10034 1 10 . 1 1 191 191 PRO CB C 191 31.146 31.146 31.719 -0.573 25554 10035 1 10 . 1 1 192 192 ALA N N 192 109.513 109.513 119.305 -9.792 25554 10036 1 10 . 1 1 192 192 ALA CA C 192 53.993 53.993 54.811 -0.818 25554 10037 1 10 . 1 1 192 192 ALA CB C 192 19.441 19.441 18.131 1.310 25554 10038 1 10 . 1 1 192 192 ALA H H 192 7.394 7.394 8.389 -0.995 25554 10039 1 10 . 1 1 193 193 LEU N N 193 119.009 119.009 120.443 -1.434 25554 10040 1 10 . 1 1 193 193 LEU C C 193 175.979 175.979 178.576 -2.597 25554 10041 1 10 . 1 1 193 193 LEU CA C 193 56.336 56.336 57.348 -1.012 25554 10042 1 10 . 1 1 193 193 LEU CB C 193 42.866 42.866 41.461 1.405 25554 10043 1 10 . 1 1 193 193 LEU H H 193 8.340 8.340 8.089 0.251 25554 10044 1 10 . 1 1 194 194 ALA N N 194 121.666 121.666 121.689 -0.023 25554 10045 1 10 . 1 1 194 194 ALA C C 194 166.896 166.896 179.345 -12.449 25554 10046 1 10 . 1 1 194 194 ALA CA C 194 55.164 55.164 54.965 0.199 25554 10047 1 10 . 1 1 194 194 ALA CB C 194 16.513 16.513 18.060 -1.547 25554 10048 1 10 . 1 1 194 194 ALA H H 194 8.176 8.176 8.255 -0.079 25554 10049 1 10 . 1 1 195 195 ALA N N 195 119.541 119.541 121.490 -1.949 25554 10050 1 10 . 1 1 195 195 ALA C C 195 173.928 173.928 179.536 -5.608 25554 10051 1 10 . 1 1 195 195 ALA CA C 195 57.507 57.507 54.894 2.613 25554 10052 1 10 . 1 1 195 195 ALA CB C 195 19.441 19.441 18.257 1.184 25554 10053 1 10 . 1 1 195 195 ALA H H 195 8.364 8.364 8.457 -0.093 25554 10054 1 10 . 1 1 196 196 GLN N N 196 107.322 107.322 119.370 -12.048 25554 10055 1 10 . 1 1 196 196 GLN C C 196 176.273 176.273 178.033 -1.760 25554 10056 1 10 . 1 1 196 196 GLN CA C 196 56.921 56.921 58.705 -1.784 25554 10057 1 10 . 1 1 196 196 GLN CB C 196 29.983 29.983 28.329 1.654 25554 10058 1 10 . 1 1 196 196 GLN H H 196 7.910 7.910 8.174 -0.264 25554 10059 1 10 . 1 1 197 197 TYR N N 197 115.623 115.623 121.114 -5.491 25554 10060 1 10 . 1 1 197 197 TYR CA C 197 67.462 67.462 59.302 8.160 25554 10061 1 10 . 1 1 197 197 TYR CB C 197 41.695 41.695 38.333 3.362 25554 10062 1 10 . 1 1 197 197 TYR H H 197 8.196 8.196 8.447 -0.251 25554 10063 1 10 . 1 1 198 198 GLU N N 198 110.244 110.244 120.670 -10.426 25554 10064 1 10 . 1 1 198 198 GLU C C 198 176.273 176.273 179.000 -2.727 25554 10065 1 10 . 1 1 198 198 GLU CA C 198 53.407 53.407 59.517 -6.109 25554 10066 1 10 . 1 1 198 198 GLU CB C 198 30.568 30.568 29.619 0.949 25554 10067 1 10 . 1 1 198 198 GLU H H 198 7.523 7.523 8.607 -1.084 25554 10068 1 10 . 1 1 199 199 HIS N N 199 118.611 118.611 120.255 -1.644 25554 10069 1 10 . 1 1 199 199 HIS C C 199 175.686 175.686 177.332 -1.646 25554 10070 1 10 . 1 1 199 199 HIS CA C 199 56.921 56.921 59.657 -2.736 25554 10071 1 10 . 1 1 199 199 HIS CB C 199 28.226 28.226 29.924 -1.698 25554 10072 1 10 . 1 1 199 199 HIS H H 199 8.512 8.512 8.566 -0.054 25554 10073 1 10 . 1 1 200 200 ASP N N 200 120.736 120.736 120.538 0.198 25554 10074 1 10 . 1 1 200 200 ASP C C 200 176.273 176.273 178.742 -2.469 25554 10075 1 10 . 1 1 200 200 ASP CA C 200 56.921 56.921 57.448 -0.527 25554 10076 1 10 . 1 1 200 200 ASP CB C 200 40.524 40.524 40.525 -0.001 25554 10077 1 10 . 1 1 200 200 ASP H H 200 7.519 7.519 8.597 -1.078 25554 10078 1 10 . 1 1 201 201 LEU N N 201 116.353 116.353 121.291 -4.938 25554 10079 1 10 . 1 1 201 201 LEU C C 201 178.910 178.910 178.260 0.650 25554 10080 1 10 . 1 1 201 201 LEU CA C 201 61.606 61.606 58.225 3.381 25554 10081 1 10 . 1 1 201 201 LEU CB C 201 41.109 41.109 41.910 -0.801 25554 10082 1 10 . 1 1 201 201 LEU H H 201 7.722 7.722 8.575 -0.853 25554 10083 1 10 . 1 1 202 202 GLU N N 202 118.080 118.080 119.603 -1.523 25554 10084 1 10 . 1 1 202 202 GLU C C 202 176.566 176.566 179.195 -2.629 25554 10085 1 10 . 1 1 202 202 GLU CA C 202 56.921 56.921 59.844 -2.923 25554 10086 1 10 . 1 1 202 202 GLU CB C 202 30.568 30.568 29.552 1.016 25554 10087 1 10 . 1 1 202 202 GLU H H 202 8.857 8.857 8.059 0.798 25554 10088 1 10 . 1 1 203 203 VAL N N 203 129.369 129.369 120.278 9.091 25554 10089 1 10 . 1 1 203 203 VAL C C 203 178.617 178.617 177.759 0.858 25554 10090 1 10 . 1 1 203 203 VAL CA C 203 64.534 64.534 66.477 -1.943 25554 10091 1 10 . 1 1 203 203 VAL CB C 203 27.640 27.640 31.518 -3.878 25554 10092 1 10 . 1 1 203 203 VAL H H 203 9.283 9.283 8.061 1.222 25554 10093 1 10 . 1 1 204 204 ALA N N 204 109.580 109.580 122.165 -12.585 25554 10094 1 10 . 1 1 204 204 ALA C C 204 176.859 176.859 179.923 -3.064 25554 10095 1 10 . 1 1 204 204 ALA CA C 204 54.579 54.579 55.121 -0.542 25554 10096 1 10 . 1 1 204 204 ALA CB C 204 18.270 18.270 18.535 -0.265 25554 10097 1 10 . 1 1 204 204 ALA H H 204 8.528 8.528 8.387 0.141 25554 10098 1 10 . 1 1 205 205 GLN N N 205 115.756 115.756 116.736 -0.980 25554 10099 1 10 . 1 1 205 205 GLN C C 205 175.979 175.979 178.324 -2.345 25554 10100 1 10 . 1 1 205 205 GLN CA C 205 48.137 48.137 58.227 -10.090 25554 10101 1 10 . 1 1 205 205 GLN CB C 205 25.883 25.883 28.463 -2.580 25554 10102 1 10 . 1 1 205 205 GLN H H 205 7.973 7.973 8.125 -0.152 25554 10103 1 10 . 1 1 206 206 THR N N 206 120.271 120.271 113.708 6.563 25554 10104 1 10 . 1 1 206 206 THR C C 206 176.273 176.273 175.155 1.118 25554 10105 1 10 . 1 1 206 206 THR CA C 206 67.462 67.462 64.699 2.763 25554 10106 1 10 . 1 1 206 206 THR CB C 206 70.390 70.390 69.793 0.597 25554 10107 1 10 . 1 1 206 206 THR H H 206 7.585 7.585 7.898 -0.313 25554 10108 1 10 . 1 1 207 207 THR N N 207 111.970 111.970 113.269 -1.299 25554 10109 1 10 . 1 1 207 207 THR C C 207 176.566 176.566 175.353 1.213 25554 10110 1 10 . 1 1 207 207 THR CA C 207 64.534 64.534 59.549 4.985 25554 10111 1 10 . 1 1 207 207 THR CB C 207 72.733 72.733 71.655 1.078 25554 10112 1 10 . 1 1 207 207 THR H H 207 7.468 7.468 7.948 -0.480 25554 10113 1 10 . 1 1 208 208 ALA N N 208 115.623 115.623 124.800 -9.177 25554 10114 1 10 . 1 1 208 208 ALA C C 208 168.947 168.947 177.823 -8.876 25554 10115 1 10 . 1 1 208 208 ALA CA C 208 55.164 55.164 53.263 1.901 25554 10116 1 10 . 1 1 208 208 ALA CB C 208 22.369 22.369 18.558 3.811 25554 10117 1 10 . 1 1 208 208 ALA H H 208 7.390 7.390 8.620 -1.230 25554 10118 1 10 . 1 1 209 209 LEU N N 209 117.814 117.814 120.474 -2.660 25554 10119 1 10 . 1 1 209 209 LEU C C 209 176.273 176.273 175.486 0.787 25554 10120 1 10 . 1 1 209 209 LEU CA C 209 58.678 58.678 53.538 5.140 25554 10121 1 10 . 1 1 209 209 LEU CB C 209 46.380 46.380 42.214 4.166 25554 10122 1 10 . 1 1 209 209 LEU H H 209 7.652 7.652 7.924 -0.272 25554 10123 1 10 . 1 1 210 210 PRO C C 210 176.566 176.566 177.171 -0.605 25554 10124 1 10 . 1 1 210 210 PRO CA C 210 63.086 63.086 64.040 -0.954 25554 10125 1 10 . 1 1 210 210 PRO CB C 210 31.146 31.146 31.951 -0.805 25554 10126 1 10 . 1 1 211 211 ASP N N 211 121.134 121.134 117.640 3.494 25554 10127 1 10 . 1 1 211 211 ASP C C 211 176.273 176.273 178.435 -2.162 25554 10128 1 10 . 1 1 211 211 ASP CA C 211 52.236 52.236 57.209 -4.973 25554 10129 1 10 . 1 1 211 211 ASP CB C 211 42.281 42.281 40.246 2.035 25554 10130 1 10 . 1 1 211 211 ASP H H 211 9.510 9.510 8.534 0.976 25554 10131 1 10 . 1 1 212 212 GLU N N 212 131.162 131.162 120.018 11.144 25554 10132 1 10 . 1 1 212 212 GLU C C 212 176.273 176.273 177.847 -1.574 25554 10133 1 10 . 1 1 212 212 GLU CA C 212 55.164 55.164 59.861 -4.697 25554 10134 1 10 . 1 1 212 212 GLU CB C 212 30.568 30.568 29.702 0.866 25554 10135 1 10 . 1 1 212 212 GLU H H 212 8.399 8.399 8.492 -0.093 25554 10136 1 10 . 1 1 213 213 ASP N N 213 115.822 115.822 116.775 -0.953 25554 10137 1 10 . 1 1 213 213 ASP C C 213 174.807 174.807 177.895 -3.088 25554 10138 1 10 . 1 1 213 213 ASP CA C 213 51.065 51.065 56.565 -5.500 25554 10139 1 10 . 1 1 213 213 ASP CB C 213 41.109 41.109 40.036 1.073 25554 10140 1 10 . 1 1 213 213 ASP H H 213 10.699 10.699 8.594 2.105 25554 10141 1 10 . 1 1 214 214 ASP N N 214 112.369 112.369 119.037 -6.668 25554 10142 1 10 . 1 1 214 214 ASP C C 214 178.910 178.910 177.513 1.397 25554 10143 1 10 . 1 1 214 214 ASP CA C 214 54.579 54.579 56.240 -1.661 25554 10144 1 10 . 1 1 214 214 ASP CB C 214 39.353 39.353 40.859 -1.506 25554 10145 1 10 . 1 1 214 214 ASP H H 214 7.464 7.464 8.238 -0.774 25554 10146 1 10 . 1 1 215 215 ASP N N 215 127.244 127.244 119.141 8.103 25554 10147 1 10 . 1 1 215 215 ASP C C 215 176.859 176.859 177.350 -0.491 25554 10148 1 10 . 1 1 215 215 ASP CA C 215 54.579 54.579 55.729 -1.150 25554 10149 1 10 . 1 1 215 215 ASP CB C 215 40.524 40.524 41.125 -0.601 25554 10150 1 10 . 1 1 215 215 ASP H H 215 8.301 8.301 7.678 0.623 25554 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 8.015 1.235 7.939 25554 2 1 1 "Average Difference" HA 28 0.430 -0.330 0.282 25554 3 1 1 "Average Difference" C 207 3.701 0.386 3.690 25554 4 1 1 "Average Difference" CA 210 4.489 -0.149 4.498 25554 5 1 1 "Average Difference" CB 196 3.367 -0.360 3.356 25554 6 1 1 "Average Difference" HN 201 1.028 0.148 1.020 25554 7 1 2 "Average Difference" N 201 8.029 1.346 7.935 25554 8 1 2 "Average Difference" HA 28 0.433 -0.327 0.289 25554 9 1 2 "Average Difference" C 207 3.675 0.290 3.672 25554 10 1 2 "Average Difference" CA 210 4.395 -0.132 4.404 25554 11 1 2 "Average Difference" CB 196 3.277 -0.277 3.274 25554 12 1 2 "Average Difference" HN 201 1.065 0.119 1.061 25554 13 1 3 "Average Difference" N 201 8.023 1.193 7.954 25554 14 1 3 "Average Difference" HA 28 0.406 -0.323 0.252 25554 15 1 3 "Average Difference" C 207 3.682 0.238 3.683 25554 16 1 3 "Average Difference" CA 210 4.406 -0.205 4.412 25554 17 1 3 "Average Difference" CB 196 3.391 -0.232 3.392 25554 18 1 3 "Average Difference" HN 201 1.053 0.143 1.046 25554 19 1 4 "Average Difference" N 201 8.152 1.257 8.075 25554 20 1 4 "Average Difference" HA 28 0.452 -0.358 0.280 25554 21 1 4 "Average Difference" C 207 3.660 0.245 3.661 25554 22 1 4 "Average Difference" CA 210 4.426 -0.203 4.432 25554 23 1 4 "Average Difference" CB 196 3.315 -0.228 3.315 25554 24 1 4 "Average Difference" HN 201 1.062 0.126 1.057 25554 25 1 5 "Average Difference" N 201 8.094 1.293 8.010 25554 26 1 5 "Average Difference" HA 28 0.402 -0.311 0.260 25554 27 1 5 "Average Difference" C 207 3.702 0.408 3.688 25554 28 1 5 "Average Difference" CA 210 4.470 -0.064 4.481 25554 29 1 5 "Average Difference" CB 196 3.349 -0.303 3.344 25554 30 1 5 "Average Difference" HN 201 1.071 0.195 1.056 25554 31 1 6 "Average Difference" N 201 8.075 1.408 7.971 25554 32 1 6 "Average Difference" HA 28 0.380 -0.285 0.256 25554 33 1 6 "Average Difference" C 207 3.652 0.273 3.651 25554 34 1 6 "Average Difference" CA 210 4.442 -0.216 4.447 25554 35 1 6 "Average Difference" CB 196 3.277 -0.246 3.276 25554 36 1 6 "Average Difference" HN 201 1.060 0.151 1.052 25554 37 1 7 "Average Difference" N 201 8.074 1.222 8.001 25554 38 1 7 "Average Difference" HA 28 0.415 -0.331 0.254 25554 39 1 7 "Average Difference" C 207 3.695 0.377 3.684 25554 40 1 7 "Average Difference" CA 210 4.495 -0.162 4.503 25554 41 1 7 "Average Difference" CB 196 3.332 -0.290 3.328 25554 42 1 7 "Average Difference" HN 201 1.059 0.151 1.050 25554 43 1 8 "Average Difference" N 201 8.052 1.223 7.978 25554 44 1 8 "Average Difference" HA 28 0.419 -0.334 0.258 25554 45 1 8 "Average Difference" C 207 3.684 0.415 3.669 25554 46 1 8 "Average Difference" CA 210 4.439 -0.058 4.450 25554 47 1 8 "Average Difference" CB 196 3.313 -0.302 3.308 25554 48 1 8 "Average Difference" HN 201 1.047 0.179 1.034 25554 49 1 9 "Average Difference" N 201 7.996 1.220 7.922 25554 50 1 9 "Average Difference" HA 28 0.398 -0.299 0.267 25554 51 1 9 "Average Difference" C 207 3.679 0.402 3.666 25554 52 1 9 "Average Difference" CA 210 4.434 -0.038 4.444 25554 53 1 9 "Average Difference" CB 196 3.330 -0.308 3.324 25554 54 1 9 "Average Difference" HN 201 1.051 0.137 1.045 25554 55 1 10 "Average Difference" N 201 8.026 1.255 7.947 25554 56 1 10 "Average Difference" HA 28 0.419 -0.341 0.249 25554 57 1 10 "Average Difference" C 207 3.691 0.370 3.681 25554 58 1 10 "Average Difference" CA 210 4.476 -0.147 4.484 25554 59 1 10 "Average Difference" CB 196 3.299 -0.299 3.294 25554 60 1 10 "Average Difference" HN 201 1.043 0.156 1.034 25554 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 25554 _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 2 131.228 131.228 123.809 7.419 25554 2 1 . 1 1 2 2 ALA C C 2 187.031 187.031 178.291 8.740 25554 3 1 . 1 1 2 2 ALA CA C 2 53.407 53.407 53.847 -0.440 25554 4 1 . 1 1 2 2 ALA CB C 2 20.027 20.027 18.508 1.519 25554 5 1 . 1 1 2 2 ALA H H 2 10.644 10.644 8.305 2.339 25554 6 1 . 1 1 3 3 ALA N N 3 124.521 124.521 121.030 3.491 25554 7 1 . 1 1 3 3 ALA C C 3 176.566 176.566 177.890 -1.324 25554 8 1 . 1 1 3 3 ALA CA C 3 49.894 49.894 52.484 -2.590 25554 9 1 . 1 1 3 3 ALA CB C 3 18.270 18.270 19.141 -0.871 25554 10 1 . 1 1 3 3 ALA H H 3 8.669 8.669 8.002 0.667 25554 11 1 . 1 1 4 4 GLN N N 4 118.080 118.080 120.061 -1.981 25554 12 1 . 1 1 4 4 GLN C C 4 176.273 176.273 177.806 -1.533 25554 13 1 . 1 1 4 4 GLN CA C 4 54.579 54.579 57.058 -2.479 25554 14 1 . 1 1 4 4 GLN CB C 4 27.054 27.054 29.002 -1.948 25554 15 1 . 1 1 4 4 GLN H H 4 8.919 8.919 8.363 0.556 25554 16 1 . 1 1 5 5 GLY N N 5 121.002 121.002 108.883 12.119 25554 17 1 . 1 1 5 5 GLY C C 5 181.877 181.877 174.643 7.234 25554 18 1 . 1 1 5 5 GLY CA C 5 45.794 45.794 45.351 0.443 25554 19 1 . 1 1 5 5 GLY H H 5 8.082 8.082 8.536 -0.454 25554 20 1 . 1 1 6 6 GLU N N 6 129.435 129.435 121.401 8.034 25554 21 1 . 1 1 6 6 GLU C C 6 176.566 176.566 175.354 1.212 25554 22 1 . 1 1 6 6 GLU CA C 6 56.336 56.336 55.853 0.483 25554 23 1 . 1 1 6 6 GLU CB C 6 28.811 28.811 29.817 -1.006 25554 24 1 . 1 1 6 6 GLU H H 6 9.267 9.267 8.093 1.174 25554 25 1 . 1 1 7 7 PRO C C 7 176.566 176.566 176.200 0.366 25554 26 1 . 1 1 7 7 PRO CA C 7 63.672 63.672 63.059 0.613 25554 27 1 . 1 1 7 7 PRO CB C 7 31.146 31.146 32.250 -1.104 25554 28 1 . 1 1 8 8 GLN N N 8 112.502 112.502 119.198 -6.696 25554 29 1 . 1 1 8 8 GLN C C 8 177.445 177.445 175.266 2.179 25554 30 1 . 1 1 8 8 GLN CA C 8 50.479 50.479 55.498 -5.019 25554 31 1 . 1 1 8 8 GLN CB C 8 28.811 28.811 30.215 -1.404 25554 32 1 . 1 1 8 8 GLN H H 8 6.220 6.220 8.226 -2.006 25554 33 1 . 1 1 9 9 VAL N N 9 117.416 117.416 125.954 -8.538 25554 34 1 . 1 1 9 9 VAL C C 9 178.324 178.324 174.428 3.896 25554 35 1 . 1 1 9 9 VAL CA C 9 63.363 63.363 62.058 1.305 25554 36 1 . 1 1 9 9 VAL CB C 9 34.668 34.668 32.690 1.978 25554 37 1 . 1 1 9 9 VAL H H 9 6.561 6.561 8.409 -1.848 25554 38 1 . 1 1 10 10 GLN N N 10 113.896 113.896 124.482 -10.586 25554 39 1 . 1 1 10 10 GLN C C 10 176.273 176.273 174.683 1.590 25554 40 1 . 1 1 10 10 GLN CA C 10 55.164 55.164 53.833 1.331 25554 41 1 . 1 1 10 10 GLN CB C 10 28.226 28.226 32.456 -4.229 25554 42 1 . 1 1 10 10 GLN H H 10 7.847 7.847 8.155 -0.308 25554 43 1 . 1 1 11 11 PHE N N 11 118.744 118.744 122.238 -3.494 25554 44 1 . 1 1 11 11 PHE C C 11 176.566 176.566 174.742 1.824 25554 45 1 . 1 1 11 11 PHE CA C 11 59.849 59.849 56.435 3.414 25554 46 1 . 1 1 11 11 PHE CB C 11 41.109 41.109 42.626 -1.517 25554 47 1 . 1 1 11 11 PHE H H 11 8.262 8.262 8.997 -0.735 25554 48 1 . 1 1 12 12 LYS N N 12 124.123 124.123 123.425 0.698 25554 49 1 . 1 1 12 12 LYS C C 12 177.152 177.152 175.128 2.025 25554 50 1 . 1 1 12 12 LYS CA C 12 57.507 57.507 56.193 1.314 25554 51 1 . 1 1 12 12 LYS CB C 12 28.811 28.811 33.331 -4.521 25554 52 1 . 1 1 12 12 LYS H H 12 8.415 8.415 8.932 -0.517 25554 53 1 . 1 1 13 13 LEU N N 13 112.103 112.103 128.180 -16.077 25554 54 1 . 1 1 13 13 LEU C C 13 177.738 177.738 174.820 2.918 25554 55 1 . 1 1 13 13 LEU CA C 13 54.579 54.579 53.388 1.191 25554 56 1 . 1 1 13 13 LEU CB C 13 42.866 42.866 45.694 -2.828 25554 57 1 . 1 1 13 13 LEU H H 13 6.905 6.905 9.078 -2.173 25554 58 1 . 1 1 14 14 VAL N N 14 127.310 127.310 127.234 0.076 25554 59 1 . 1 1 14 14 VAL C C 14 175.393 175.393 174.230 1.163 25554 60 1 . 1 1 14 14 VAL CA C 14 70.976 70.976 61.963 9.013 25554 61 1 . 1 1 14 14 VAL CB C 14 28.811 28.811 32.818 -4.007 25554 62 1 . 1 1 14 14 VAL H H 14 8.305 8.305 9.082 -0.777 25554 63 1 . 1 1 15 15 LEU N N 15 121.400 121.400 129.753 -8.353 25554 64 1 . 1 1 15 15 LEU C C 15 173.342 173.342 175.788 -2.446 25554 65 1 . 1 1 15 15 LEU CA C 15 56.336 56.336 53.473 2.863 25554 66 1 . 1 1 15 15 LEU CB C 15 41.695 41.695 43.484 -1.789 25554 67 1 . 1 1 15 15 LEU H H 15 7.785 7.785 8.571 -0.786 25554 68 1 . 1 1 16 16 VAL N N 16 121.267 121.267 116.903 4.364 25554 69 1 . 1 1 16 16 VAL C C 16 178.324 178.324 174.415 3.909 25554 70 1 . 1 1 16 16 VAL CA C 16 63.363 63.363 58.691 4.672 25554 71 1 . 1 1 16 16 VAL CB C 16 35.839 35.839 35.342 0.497 25554 72 1 . 1 1 16 16 VAL H H 16 8.935 8.935 8.850 0.085 25554 73 1 . 1 1 17 17 GLY N N 17 127.908 127.908 107.932 19.976 25554 74 1 . 1 1 17 17 GLY C C 17 174.514 174.514 172.067 2.447 25554 75 1 . 1 1 17 17 GLY CA C 17 42.281 42.281 44.763 -2.482 25554 76 1 . 1 1 17 17 GLY H H 17 9.682 9.682 7.281 2.401 25554 77 1 . 1 1 18 18 ASP N N 18 119.673 119.673 120.677 -1.004 25554 78 1 . 1 1 18 18 ASP C C 18 176.859 176.859 176.889 -0.030 25554 79 1 . 1 1 18 18 ASP CA C 18 55.750 55.750 53.250 2.501 25554 80 1 . 1 1 18 18 ASP CB C 18 39.938 39.938 42.921 -2.983 25554 81 1 . 1 1 18 18 ASP H H 18 7.879 7.879 7.972 -0.093 25554 82 1 . 1 1 19 19 GLY N N 19 120.670 120.670 109.650 11.020 25554 83 1 . 1 1 19 19 GLY C C 19 178.324 178.324 174.934 3.390 25554 84 1 . 1 1 19 19 GLY CA C 19 42.281 42.281 45.732 -3.451 25554 85 1 . 1 1 19 19 GLY H H 19 8.825 8.825 8.627 0.199 25554 86 1 . 1 1 20 20 GLY N N 20 129.369 129.369 112.027 17.342 25554 87 1 . 1 1 20 20 GLY C C 20 174.221 174.221 175.569 -1.349 25554 88 1 . 1 1 20 20 GLY CA C 20 41.695 41.695 45.617 -3.922 25554 89 1 . 1 1 20 20 GLY H H 20 8.477 8.477 8.613 -0.136 25554 90 1 . 1 1 21 21 THR N N 21 114.560 114.560 114.524 0.036 25554 91 1 . 1 1 21 21 THR C C 21 178.617 178.617 174.991 3.626 25554 92 1 . 1 1 21 21 THR CA C 21 62.192 62.192 63.181 -0.989 25554 93 1 . 1 1 21 21 THR CB C 21 70.390 70.390 68.953 1.437 25554 94 1 . 1 1 21 21 THR H H 21 8.196 8.196 7.883 0.313 25554 95 1 . 1 1 22 22 GLY N N 22 112.369 112.369 108.839 3.530 25554 96 1 . 1 1 22 22 GLY C C 22 184.807 184.807 175.137 9.670 25554 97 1 . 1 1 22 22 GLY CA C 22 45.209 45.209 45.426 -0.217 25554 98 1 . 1 1 22 22 GLY H H 22 6.772 6.772 8.344 -1.572 25554 99 1 . 1 1 23 23 LYS N N 23 124.056 124.056 120.469 3.587 25554 100 1 . 1 1 23 23 LYS C C 23 176.566 176.566 178.019 -1.453 25554 101 1 . 1 1 23 23 LYS CA C 23 56.921 56.921 59.540 -2.619 25554 102 1 . 1 1 23 23 LYS CB C 23 35.839 35.839 32.160 3.679 25554 103 1 . 1 1 23 23 LYS H H 23 8.180 8.180 8.284 -0.104 25554 104 1 . 1 1 24 24 THR N N 24 114.627 114.627 114.121 0.505 25554 105 1 . 1 1 24 24 THR C C 24 178.324 178.324 176.682 1.642 25554 106 1 . 1 1 24 24 THR CA C 24 62.192 62.192 66.529 -4.337 25554 107 1 . 1 1 24 24 THR CB C 24 71.562 71.562 68.452 3.110 25554 108 1 . 1 1 24 24 THR H H 24 8.469 8.469 8.372 0.097 25554 109 1 . 1 1 25 25 THR N N 25 110.377 110.377 117.935 -7.558 25554 110 1 . 1 1 25 25 THR C C 25 178.324 178.324 175.963 2.361 25554 111 1 . 1 1 25 25 THR CA C 25 64.534 64.534 66.967 -2.433 25554 112 1 . 1 1 25 25 THR CB C 25 71.562 71.562 68.564 2.998 25554 113 1 . 1 1 25 25 THR H H 25 8.415 8.415 8.066 0.348 25554 114 1 . 1 1 26 26 PHE N N 26 114.295 114.295 122.653 -8.358 25554 115 1 . 1 1 26 26 PHE C C 26 174.514 174.514 177.139 -2.625 25554 116 1 . 1 1 26 26 PHE CA C 26 53.407 53.407 61.703 -8.296 25554 117 1 . 1 1 26 26 PHE CB C 26 40.524 40.524 39.171 1.353 25554 118 1 . 1 1 26 26 PHE H H 26 7.707 7.707 8.112 -0.405 25554 119 1 . 1 1 27 27 VAL N N 27 123.525 123.525 118.044 5.481 25554 120 1 . 1 1 27 27 VAL C C 27 178.031 178.031 178.166 -0.135 25554 121 1 . 1 1 27 27 VAL CA C 27 67.462 67.462 66.086 1.376 25554 122 1 . 1 1 27 27 VAL CB C 27 29.397 29.397 31.541 -2.144 25554 123 1 . 1 1 27 27 VAL H H 27 6.987 6.987 8.196 -1.209 25554 124 1 . 1 1 28 28 LYS N N 28 114.228 114.228 118.671 -4.443 25554 125 1 . 1 1 28 28 LYS C C 28 176.566 176.566 178.263 -1.698 25554 126 1 . 1 1 28 28 LYS CA C 28 58.092 58.092 58.295 -0.203 25554 127 1 . 1 1 28 28 LYS CB C 28 34.082 34.082 31.937 2.145 25554 128 1 . 1 1 28 28 LYS H H 28 7.429 7.429 8.009 -0.580 25554 129 1 . 1 1 29 29 ARG N N 29 112.037 112.037 116.040 -4.003 25554 130 1 . 1 1 29 29 ARG C C 29 174.221 174.221 176.566 -2.345 25554 131 1 . 1 1 29 29 ARG CA C 29 72.147 72.147 57.695 14.452 25554 132 1 . 1 1 29 29 ARG CB C 29 37.596 37.596 29.531 8.065 25554 133 1 . 1 1 29 29 ARG H H 29 6.803 6.803 7.499 -0.696 25554 134 1 . 1 1 30 30 HIS N N 30 122.396 122.396 119.168 3.228 25554 135 1 . 1 1 30 30 HIS C C 30 172.170 172.170 176.291 -4.121 25554 136 1 . 1 1 30 30 HIS CA C 30 51.651 51.651 55.731 -4.080 25554 137 1 . 1 1 30 30 HIS CB C 30 30.568 30.568 29.201 1.367 25554 138 1 . 1 1 30 30 HIS H H 30 7.644 7.644 7.168 0.476 25554 139 1 . 1 1 31 31 LEU N N 31 110.377 110.377 127.625 -17.248 25554 140 1 . 1 1 31 31 LEU C C 31 178.031 178.031 178.468 -0.437 25554 141 1 . 1 1 31 31 LEU CA C 31 55.164 55.164 57.822 -2.658 25554 142 1 . 1 1 31 31 LEU CB C 31 42.281 42.281 41.798 0.483 25554 143 1 . 1 1 31 31 LEU H H 31 7.894 7.894 8.300 -0.406 25554 144 1 . 1 1 32 32 THR N N 32 118.213 118.213 114.525 3.688 25554 145 1 . 1 1 32 32 THR C C 32 178.910 178.910 176.724 2.186 25554 146 1 . 1 1 32 32 THR CA C 32 63.949 63.949 67.092 -3.143 25554 147 1 . 1 1 32 32 THR CB C 32 72.733 72.733 68.373 4.360 25554 148 1 . 1 1 32 32 THR H H 32 7.570 7.570 7.887 -0.317 25554 149 1 . 1 1 33 33 GLY N N 33 127.841 127.841 109.647 18.194 25554 150 1 . 1 1 33 33 GLY C C 33 161.914 161.914 175.908 -13.994 25554 151 1 . 1 1 33 33 GLY CA C 33 42.866 42.866 46.902 -4.036 25554 152 1 . 1 1 33 33 GLY H H 33 9.662 9.662 8.465 1.197 25554 153 1 . 1 1 34 34 GLU N N 34 122.263 122.263 122.761 -0.498 25554 154 1 . 1 1 34 34 GLU C C 34 176.859 176.859 179.209 -2.350 25554 155 1 . 1 1 34 34 GLU CA C 34 51.651 51.651 58.337 -6.686 25554 156 1 . 1 1 34 34 GLU CB C 34 29.397 29.397 29.249 0.148 25554 157 1 . 1 1 34 34 GLU H H 34 7.140 7.140 7.722 -0.582 25554 158 1 . 1 1 35 35 PHE N N 35 111.838 111.838 117.842 -6.004 25554 159 1 . 1 1 35 35 PHE C C 35 174.221 174.221 177.764 -3.543 25554 160 1 . 1 1 35 35 PHE CA C 35 49.308 49.308 59.731 -10.423 25554 161 1 . 1 1 35 35 PHE CB C 35 41.695 41.695 38.920 2.775 25554 162 1 . 1 1 35 35 PHE H H 35 6.772 6.772 7.833 -1.061 25554 163 1 . 1 1 36 36 GLU N N 36 124.388 124.388 118.553 5.835 25554 164 1 . 1 1 36 36 GLU C C 36 176.859 176.859 174.947 1.912 25554 165 1 . 1 1 36 36 GLU CA C 36 58.092 58.092 55.618 2.474 25554 166 1 . 1 1 36 36 GLU CB C 36 30.568 30.568 28.762 1.806 25554 167 1 . 1 1 36 36 GLU H H 36 7.734 7.734 8.328 -0.594 25554 168 1 . 1 1 37 37 LYS N N 37 118.810 118.810 120.907 -2.097 25554 169 1 . 1 1 37 37 LYS C C 37 172.756 172.756 176.136 -3.380 25554 170 1 . 1 1 37 37 LYS CA C 37 48.137 48.137 55.068 -6.931 25554 171 1 . 1 1 37 37 LYS CB C 37 37.010 37.010 33.701 3.309 25554 172 1 . 1 1 37 37 LYS H H 37 8.509 8.509 7.382 1.127 25554 173 1 . 1 1 38 38 LYS N N 38 108.052 108.052 125.470 -17.418 25554 174 1 . 1 1 38 38 LYS C C 38 176.273 176.273 174.696 1.577 25554 175 1 . 1 1 38 38 LYS CA C 38 59.849 59.849 54.970 4.879 25554 176 1 . 1 1 38 38 LYS CB C 38 34.668 34.668 35.098 -0.430 25554 177 1 . 1 1 38 38 LYS H H 38 7.715 7.715 8.602 -0.887 25554 178 1 . 1 1 39 39 TYR N N 39 108.650 108.650 123.778 -15.128 25554 179 1 . 1 1 39 39 TYR C C 39 175.686 175.686 175.670 0.016 25554 180 1 . 1 1 39 39 TYR CA C 39 61.020 61.020 57.745 3.275 25554 181 1 . 1 1 39 39 TYR CB C 39 36.424 36.424 39.955 -3.531 25554 182 1 . 1 1 39 39 TYR H H 39 7.362 7.362 8.677 -1.315 25554 183 1 . 1 1 40 40 VAL N N 40 117.947 117.947 127.213 -9.266 25554 184 1 . 1 1 40 40 VAL C C 40 175.393 175.393 175.271 0.122 25554 185 1 . 1 1 40 40 VAL CA C 40 61.020 61.020 61.046 -0.026 25554 186 1 . 1 1 40 40 VAL CB C 40 31.154 31.154 32.674 -1.520 25554 187 1 . 1 1 40 40 VAL H H 40 8.442 8.442 8.709 -0.267 25554 188 1 . 1 1 42 42 THR N N 42 117.150 117.150 114.123 3.027 25554 189 1 . 1 1 42 42 THR C C 42 178.910 178.910 176.397 2.513 25554 190 1 . 1 1 42 42 THR CA C 42 60.435 60.435 64.542 -4.107 25554 191 1 . 1 1 42 42 THR CB C 42 70.390 70.390 68.661 1.729 25554 192 1 . 1 1 42 42 THR H H 42 8.192 8.192 8.174 0.018 25554 193 1 . 1 1 43 43 LEU N N 43 119.209 119.209 120.390 -1.181 25554 194 1 . 1 1 43 43 LEU C C 43 174.807 174.807 177.565 -2.758 25554 195 1 . 1 1 43 43 LEU CA C 43 57.507 57.507 55.693 1.814 25554 196 1 . 1 1 43 43 LEU CB C 43 42.866 42.866 42.079 0.787 25554 197 1 . 1 1 43 43 LEU H H 43 9.260 9.260 7.946 1.314 25554 198 1 . 1 1 44 44 GLY N N 44 114.361 114.361 106.542 7.819 25554 199 1 . 1 1 44 44 GLY C C 44 178.910 178.910 173.494 5.416 25554 200 1 . 1 1 44 44 GLY CA C 44 54.579 54.579 45.595 8.984 25554 201 1 . 1 1 44 44 GLY H H 44 6.979 6.979 7.901 -0.922 25554 202 1 . 1 1 45 45 VAL N N 45 110.244 110.244 118.697 -8.453 25554 203 1 . 1 1 45 45 VAL C C 45 174.807 174.807 174.147 0.660 25554 204 1 . 1 1 45 45 VAL CA C 45 63.363 63.363 60.325 3.037 25554 205 1 . 1 1 45 45 VAL CB C 45 17.099 17.099 35.620 -18.521 25554 206 1 . 1 1 45 45 VAL H H 45 8.309 8.309 7.661 0.648 25554 207 1 . 1 1 46 46 GLU N N 46 130.365 130.365 125.901 4.464 25554 208 1 . 1 1 46 46 GLU C C 46 176.859 176.859 175.449 1.410 25554 209 1 . 1 1 46 46 GLU CA C 46 55.164 55.164 54.421 0.743 25554 210 1 . 1 1 46 46 GLU CB C 46 32.325 32.325 31.670 0.655 25554 211 1 . 1 1 46 46 GLU H H 46 9.741 9.741 8.957 0.784 25554 212 1 . 1 1 47 47 VAL N N 47 115.623 115.623 125.176 -9.553 25554 213 1 . 1 1 47 47 VAL C C 47 178.324 178.324 174.765 3.559 25554 214 1 . 1 1 47 47 VAL CA C 47 63.363 63.363 60.651 2.712 25554 215 1 . 1 1 47 47 VAL CB C 47 32.911 32.911 32.956 -0.045 25554 216 1 . 1 1 47 47 VAL H H 47 7.339 7.339 8.611 -1.272 25554 217 1 . 1 1 48 48 HIS N N 48 129.236 129.236 127.008 2.228 25554 218 1 . 1 1 48 48 HIS C C 48 169.240 169.240 173.183 -3.943 25554 219 1 . 1 1 48 48 HIS CA C 48 49.894 49.894 53.323 -3.429 25554 220 1 . 1 1 48 48 HIS CB C 48 27.640 27.640 31.625 -3.985 25554 221 1 . 1 1 48 48 HIS H H 48 10.390 10.390 9.171 1.219 25554 222 1 . 1 1 49 49 PRO C C 49 176.273 176.273 175.717 0.556 25554 223 1 . 1 1 49 49 PRO CA C 49 62.500 62.500 63.085 -0.585 25554 224 1 . 1 1 49 49 PRO CB C 49 29.974 29.974 32.062 -2.088 25554 225 1 . 1 1 50 50 LEU N N 50 119.408 119.408 127.495 -8.087 25554 226 1 . 1 1 50 50 LEU C C 50 177.445 177.445 175.190 2.255 25554 227 1 . 1 1 50 50 LEU CA C 50 59.264 59.264 53.769 5.495 25554 228 1 . 1 1 50 50 LEU CB C 50 42.281 42.281 43.072 -0.791 25554 229 1 . 1 1 50 50 LEU H H 50 7.492 7.492 9.073 -1.581 25554 230 1 . 1 1 51 51 VAL N N 51 117.947 117.947 123.095 -5.148 25554 231 1 . 1 1 51 51 VAL C C 51 174.514 174.514 174.662 -0.148 25554 232 1 . 1 1 51 51 VAL CA C 51 64.534 64.534 61.354 3.180 25554 233 1 . 1 1 51 51 VAL CB C 51 37.010 37.010 33.320 3.690 25554 234 1 . 1 1 51 51 VAL H H 51 7.715 7.715 7.915 -0.200 25554 235 1 . 1 1 52 52 PHE N N 52 124.853 124.853 125.976 -1.123 25554 236 1 . 1 1 52 52 PHE C C 52 175.100 175.100 174.033 1.067 25554 237 1 . 1 1 52 52 PHE CA C 52 56.336 56.336 56.273 0.063 25554 238 1 . 1 1 52 52 PHE CB C 52 39.938 39.938 42.095 -2.157 25554 239 1 . 1 1 52 52 PHE H H 52 8.935 8.935 8.961 -0.026 25554 240 1 . 1 1 53 53 HIS N N 53 120.603 120.603 122.344 -1.741 25554 241 1 . 1 1 53 53 HIS C C 53 170.119 170.119 175.054 -4.935 25554 242 1 . 1 1 53 53 HIS CA C 53 55.164 55.164 55.379 -0.215 25554 243 1 . 1 1 53 53 HIS CB C 53 30.568 30.568 30.957 -0.389 25554 244 1 . 1 1 53 53 HIS H H 53 8.356 8.356 8.372 -0.016 25554 245 1 . 1 1 54 54 THR N N 54 112.634 112.634 117.050 -4.416 25554 246 1 . 1 1 54 54 THR C C 54 178.910 178.910 176.102 2.808 25554 247 1 . 1 1 54 54 THR CA C 54 63.363 63.363 59.598 3.765 25554 248 1 . 1 1 54 54 THR CB C 54 72.733 72.733 71.542 1.191 25554 249 1 . 1 1 54 54 THR H H 54 7.574 7.574 9.047 -1.473 25554 250 1 . 1 1 55 55 ASN N N 55 131.095 131.095 121.285 9.810 25554 251 1 . 1 1 55 55 ASN C C 55 176.273 176.273 176.709 -0.436 25554 252 1 . 1 1 55 55 ASN CA C 55 51.065 51.065 56.035 -4.970 25554 253 1 . 1 1 55 55 ASN CB C 55 37.010 37.010 38.239 -1.228 25554 254 1 . 1 1 55 55 ASN H H 55 10.187 10.187 9.092 1.095 25554 255 1 . 1 1 56 56 ARG N N 56 122.064 122.064 118.797 3.267 25554 256 1 . 1 1 56 56 ARG C C 56 175.100 175.100 175.959 -0.859 25554 257 1 . 1 1 56 56 ARG CA C 56 61.606 61.606 56.314 5.292 25554 258 1 . 1 1 56 56 ARG CB C 56 32.911 32.911 30.452 2.459 25554 259 1 . 1 1 56 56 ARG H H 56 7.433 7.433 8.198 -0.765 25554 260 1 . 1 1 57 57 GLY N N 57 127.709 127.709 107.016 20.693 25554 261 1 . 1 1 57 57 GLY C C 57 175.979 175.979 171.526 4.454 25554 262 1 . 1 1 57 57 GLY CA C 57 42.281 42.281 44.451 -2.170 25554 263 1 . 1 1 57 57 GLY H H 57 9.373 9.373 8.057 1.316 25554 264 1 . 1 1 58 58 PRO C C 58 177.152 177.152 175.775 1.377 25554 265 1 . 1 1 58 58 PRO CA C 58 65.137 65.137 62.635 2.502 25554 266 1 . 1 1 58 58 PRO CB C 58 29.095 29.095 32.680 -3.585 25554 267 1 . 1 1 59 59 ILE N N 59 128.638 128.638 122.919 5.719 25554 268 1 . 1 1 59 59 ILE C C 59 175.979 175.979 174.533 1.446 25554 269 1 . 1 1 59 59 ILE CA C 59 65.120 65.120 60.195 4.925 25554 270 1 . 1 1 59 59 ILE CB C 59 40.524 40.524 41.765 -1.241 25554 271 1 . 1 1 59 59 ILE H H 59 8.794 8.794 8.852 -0.058 25554 272 1 . 1 1 60 60 LYS N N 60 115.756 115.756 126.673 -10.917 25554 273 1 . 1 1 60 60 LYS C C 60 175.979 175.979 175.071 0.908 25554 274 1 . 1 1 60 60 LYS CA C 60 56.921 56.921 54.188 2.733 25554 275 1 . 1 1 60 60 LYS CB C 60 32.325 32.325 35.811 -3.486 25554 276 1 . 1 1 60 60 LYS H H 60 7.253 7.253 8.958 -1.705 25554 277 1 . 1 1 61 61 PHE N N 61 120.670 120.670 125.491 -4.821 25554 278 1 . 1 1 61 61 PHE C C 61 175.393 175.393 175.272 0.121 25554 279 1 . 1 1 61 61 PHE CA C 61 57.507 57.507 56.521 0.986 25554 280 1 . 1 1 61 61 PHE CB C 61 41.109 41.109 41.214 -0.105 25554 281 1 . 1 1 61 61 PHE H H 61 7.515 7.515 9.440 -1.925 25554 282 1 . 1 1 62 62 ASN N N 62 119.076 119.076 124.094 -5.018 25554 283 1 . 1 1 62 62 ASN C C 62 175.100 175.100 174.752 0.348 25554 284 1 . 1 1 62 62 ASN CA C 62 53.407 53.407 52.681 0.726 25554 285 1 . 1 1 62 62 ASN CB C 62 38.767 38.767 38.782 -0.015 25554 286 1 . 1 1 62 62 ASN H H 62 7.558 7.558 9.223 -1.665 25554 287 1 . 1 1 63 63 VAL N N 63 106.127 106.127 124.256 -18.129 25554 288 1 . 1 1 63 63 VAL C C 63 175.100 175.100 175.442 -0.342 25554 289 1 . 1 1 63 63 VAL CA C 63 61.020 61.020 62.692 -1.672 25554 290 1 . 1 1 63 63 VAL CB C 63 31.154 31.154 32.722 -1.568 25554 291 1 . 1 1 63 63 VAL H H 63 8.113 8.113 8.919 -0.806 25554 292 1 . 1 1 64 64 TRP N N 64 129.302 129.302 130.127 -0.825 25554 293 1 . 1 1 64 64 TRP C C 64 177.152 177.152 175.377 1.775 25554 294 1 . 1 1 64 64 TRP CA C 64 59.264 59.264 55.712 3.552 25554 295 1 . 1 1 64 64 TRP CB C 64 29.397 29.397 29.574 -0.177 25554 296 1 . 1 1 64 64 TRP H H 64 8.970 8.970 9.548 -0.578 25554 297 1 . 1 1 65 65 ASP N N 65 119.607 119.607 124.512 -4.905 25554 298 1 . 1 1 65 65 ASP C C 65 174.514 174.514 176.001 -1.487 25554 299 1 . 1 1 65 65 ASP CA C 65 55.164 55.164 52.421 2.743 25554 300 1 . 1 1 65 65 ASP CB C 65 41.109 41.109 44.310 -3.202 25554 301 1 . 1 1 65 65 ASP H H 65 8.638 8.638 9.217 -0.580 25554 302 1 . 1 1 66 66 THR N N 66 122.463 122.463 116.080 6.383 25554 303 1 . 1 1 66 66 THR C C 66 178.617 178.617 175.024 3.594 25554 304 1 . 1 1 66 66 THR CA C 66 68.048 68.048 62.316 5.732 25554 305 1 . 1 1 66 66 THR CB C 66 71.562 71.562 69.554 2.008 25554 306 1 . 1 1 66 66 THR H H 66 8.293 8.293 8.534 -0.241 25554 307 1 . 1 1 67 67 ALA N N 67 104.865 104.865 127.009 -22.144 25554 308 1 . 1 1 67 67 ALA C C 67 177.738 177.738 177.483 0.255 25554 309 1 . 1 1 67 67 ALA CA C 67 48.722 48.722 52.809 -4.087 25554 310 1 . 1 1 67 67 ALA CB C 67 14.171 14.171 18.443 -4.272 25554 311 1 . 1 1 67 67 ALA H H 67 8.657 8.657 8.476 0.181 25554 312 1 . 1 1 68 68 GLY N N 68 115.357 115.357 106.657 8.700 25554 313 1 . 1 1 68 68 GLY C C 68 189.533 189.533 175.961 13.572 25554 314 1 . 1 1 68 68 GLY CA C 68 45.209 45.209 45.315 -0.106 25554 315 1 . 1 1 68 68 GLY H H 68 10.969 10.969 8.252 2.717 25554 316 1 . 1 1 69 69 GLN N N 69 110.111 110.111 119.530 -9.419 25554 317 1 . 1 1 69 69 GLN C C 69 176.859 176.859 177.381 -0.522 25554 318 1 . 1 1 69 69 GLN CA C 69 55.750 55.750 58.843 -3.093 25554 319 1 . 1 1 69 69 GLN CB C 69 27.640 27.640 28.295 -0.655 25554 320 1 . 1 1 69 69 GLN H H 69 8.344 8.344 8.682 -0.338 25554 321 1 . 1 1 70 70 GLU N N 70 114.826 114.826 118.584 -3.758 25554 322 1 . 1 1 70 70 GLU C C 70 176.273 176.273 177.738 -1.465 25554 323 1 . 1 1 70 70 GLU CA C 70 57.507 57.507 58.806 -1.299 25554 324 1 . 1 1 70 70 GLU CB C 70 28.811 28.811 29.287 -0.476 25554 325 1 . 1 1 70 70 GLU H H 70 9.651 9.651 8.588 1.063 25554 326 1 . 1 1 71 71 LYS N N 71 116.685 116.685 117.837 -1.152 25554 327 1 . 1 1 71 71 LYS C C 71 175.979 175.979 178.704 -2.726 25554 328 1 . 1 1 71 71 LYS CA C 71 48.722 48.722 58.591 -9.869 25554 329 1 . 1 1 71 71 LYS CB C 71 37.010 37.010 32.465 4.545 25554 330 1 . 1 1 71 71 LYS H H 71 8.712 8.712 7.681 1.030 25554 331 1 . 1 1 72 72 PHE N N 72 114.959 114.959 118.285 -3.326 25554 332 1 . 1 1 72 72 PHE C C 72 175.686 175.686 176.055 -0.369 25554 333 1 . 1 1 72 72 PHE CA C 72 56.336 56.336 59.531 -3.195 25554 334 1 . 1 1 72 72 PHE CB C 72 36.424 36.424 40.184 -3.760 25554 335 1 . 1 1 72 72 PHE H H 72 7.965 7.965 7.772 0.193 25554 336 1 . 1 1 73 73 GLY N N 73 117.084 117.084 104.376 12.708 25554 337 1 . 1 1 73 73 GLY C C 73 168.068 168.068 172.350 -4.282 25554 338 1 . 1 1 73 73 GLY CA C 73 42.281 42.281 44.652 -2.371 25554 339 1 . 1 1 73 73 GLY H H 73 7.609 7.609 8.098 -0.489 25554 340 1 . 1 1 74 74 GLY N N 74 120.537 120.537 106.034 14.503 25554 341 1 . 1 1 74 74 GLY C C 74 174.514 174.514 174.584 -0.070 25554 342 1 . 1 1 74 74 GLY CA C 74 44.037 44.037 44.337 -0.300 25554 343 1 . 1 1 74 74 GLY H H 74 9.326 9.326 8.309 1.017 25554 344 1 . 1 1 75 75 LEU N N 75 127.177 127.177 121.608 5.569 25554 345 1 . 1 1 75 75 LEU C C 75 178.617 178.617 177.496 1.121 25554 346 1 . 1 1 75 75 LEU CA C 75 53.407 53.407 54.523 -1.116 25554 347 1 . 1 1 75 75 LEU CB C 75 42.281 42.281 42.791 -0.511 25554 348 1 . 1 1 75 75 LEU H H 75 7.628 7.628 8.745 -1.117 25554 349 1 . 1 1 76 76 ARG N N 76 116.486 116.486 122.374 -5.888 25554 350 1 . 1 1 76 76 ARG C C 76 176.859 176.859 177.121 -0.263 25554 351 1 . 1 1 76 76 ARG CA C 76 59.264 59.264 56.268 2.996 25554 352 1 . 1 1 76 76 ARG CB C 76 31.154 31.154 31.238 -0.084 25554 353 1 . 1 1 76 76 ARG H H 76 7.143 7.143 8.468 -1.325 25554 354 1 . 1 1 77 77 ASP N N 77 129.236 129.236 122.200 7.036 25554 355 1 . 1 1 77 77 ASP C C 77 177.152 177.152 178.503 -1.351 25554 356 1 . 1 1 77 77 ASP CA C 77 52.822 52.822 57.721 -4.899 25554 357 1 . 1 1 77 77 ASP CB C 77 41.695 41.695 40.490 1.205 25554 358 1 . 1 1 77 77 ASP H H 77 8.947 8.947 8.915 0.032 25554 359 1 . 1 1 78 78 GLY N N 78 127.244 127.244 107.818 19.426 25554 360 1 . 1 1 78 78 GLY C C 78 173.928 173.928 175.203 -1.275 25554 361 1 . 1 1 78 78 GLY CA C 78 44.623 44.623 46.996 -2.373 25554 362 1 . 1 1 78 78 GLY H H 78 8.219 8.219 8.508 -0.289 25554 363 1 . 1 1 79 79 TYR N N 79 120.537 120.537 121.091 -0.554 25554 364 1 . 1 1 79 79 TYR C C 79 176.273 176.273 176.571 -0.298 25554 365 1 . 1 1 79 79 TYR CA C 79 58.678 58.678 60.877 -2.199 25554 366 1 . 1 1 79 79 TYR CB C 79 40.524 40.524 38.556 1.968 25554 367 1 . 1 1 79 79 TYR H H 79 8.563 8.563 7.591 0.972 25554 368 1 . 1 1 80 80 TYR N N 80 115.822 115.822 115.327 0.495 25554 369 1 . 1 1 80 80 TYR C C 80 175.979 175.979 176.787 -0.808 25554 370 1 . 1 1 80 80 TYR CA C 80 58.092 58.092 60.854 -2.762 25554 371 1 . 1 1 80 80 TYR CB C 80 38.181 38.181 38.670 -0.489 25554 372 1 . 1 1 80 80 TYR H H 80 7.194 7.194 7.474 -0.280 25554 373 1 . 1 1 81 81 ILE N N 81 120.072 120.072 118.559 1.513 25554 374 1 . 1 1 81 81 ILE C C 81 177.445 177.445 175.979 1.466 25554 375 1 . 1 1 81 81 ILE CA C 81 67.462 67.462 63.136 4.326 25554 376 1 . 1 1 81 81 ILE CB C 81 41.109 41.109 37.980 3.129 25554 377 1 . 1 1 81 81 ILE H H 81 8.837 8.837 7.985 0.852 25554 378 1 . 1 1 82 82 GLN N N 82 109.580 109.580 118.894 -9.314 25554 379 1 . 1 1 82 82 GLN C C 82 177.152 177.152 174.533 2.619 25554 380 1 . 1 1 82 82 GLN CA C 82 56.336 56.336 56.425 -0.089 25554 381 1 . 1 1 82 82 GLN CB C 82 24.126 24.126 26.216 -2.090 25554 382 1 . 1 1 82 82 GLN H H 82 8.493 8.493 8.746 -0.253 25554 383 1 . 1 1 83 83 ALA N N 83 109.713 109.713 121.382 -11.669 25554 384 1 . 1 1 83 83 ALA C C 83 175.979 175.979 176.684 -0.705 25554 385 1 . 1 1 83 83 ALA CA C 83 54.579 54.579 51.531 3.048 25554 386 1 . 1 1 83 83 ALA CB C 83 16.513 16.513 19.068 -2.555 25554 387 1 . 1 1 83 83 ALA H H 83 6.306 6.306 7.551 -1.245 25554 388 1 . 1 1 84 84 GLN N N 84 131.380 131.380 122.601 8.779 25554 389 1 . 1 1 84 84 GLN C C 84 175.686 175.686 175.968 -0.282 25554 390 1 . 1 1 84 84 GLN CA C 84 51.065 51.065 58.141 -7.076 25554 391 1 . 1 1 84 84 GLN CB C 84 32.325 32.325 29.784 2.541 25554 392 1 . 1 1 84 84 GLN H H 84 11.169 11.169 8.717 2.452 25554 393 1 . 1 1 85 85 CYS N N 85 124.322 124.322 111.397 12.925 25554 394 1 . 1 1 85 85 CYS C C 85 173.049 173.049 172.710 0.339 25554 395 1 . 1 1 85 85 CYS CA C 85 57.507 57.507 55.886 1.621 25554 396 1 . 1 1 85 85 CYS CB C 85 35.253 35.253 31.702 3.551 25554 397 1 . 1 1 85 85 CYS H H 85 8.602 8.602 8.135 0.467 25554 398 1 . 1 1 86 86 ALA N N 86 114.295 114.295 122.575 -8.280 25554 399 1 . 1 1 86 86 ALA CA C 86 57.507 57.507 50.628 6.880 25554 400 1 . 1 1 86 86 ALA CB C 86 21.784 21.784 22.726 -0.942 25554 401 1 . 1 1 86 86 ALA H H 86 6.897 6.897 9.186 -2.289 25554 402 1 . 1 1 87 87 ILE N N 87 120.670 120.670 121.038 -0.368 25554 403 1 . 1 1 87 87 ILE C C 87 173.928 173.928 174.745 -0.817 25554 404 1 . 1 1 87 87 ILE CA C 87 61.020 61.020 59.820 1.200 25554 405 1 . 1 1 87 87 ILE CB C 87 39.938 39.938 41.226 -1.288 25554 406 1 . 1 1 87 87 ILE H H 87 8.282 8.282 8.731 -0.449 25554 407 1 . 1 1 88 88 ILE N N 88 120.205 120.205 127.788 -7.583 25554 408 1 . 1 1 88 88 ILE C C 88 173.635 173.635 175.067 -1.432 25554 409 1 . 1 1 88 88 ILE CA C 88 64.534 64.534 59.967 4.567 25554 410 1 . 1 1 88 88 ILE CB C 88 37.596 37.596 40.231 -2.635 25554 411 1 . 1 1 88 88 ILE H H 88 5.528 5.528 8.998 -3.470 25554 412 1 . 1 1 89 89 MET N N 89 119.209 119.209 126.496 -7.287 25554 413 1 . 1 1 89 89 MET C C 89 176.566 176.566 175.257 1.310 25554 414 1 . 1 1 89 89 MET CA C 89 56.921 56.921 53.501 3.420 25554 415 1 . 1 1 89 89 MET CB C 89 34.668 34.668 34.166 0.502 25554 416 1 . 1 1 89 89 MET H H 89 8.164 8.164 8.885 -0.721 25554 417 1 . 1 1 90 90 PHE N N 90 121.134 121.134 118.832 2.302 25554 418 1 . 1 1 90 90 PHE C C 90 175.393 175.393 173.100 2.293 25554 419 1 . 1 1 90 90 PHE CA C 90 60.435 60.435 55.454 4.981 25554 420 1 . 1 1 90 90 PHE CB C 90 38.767 38.767 42.022 -3.255 25554 421 1 . 1 1 90 90 PHE H H 90 9.334 9.334 8.672 0.662 25554 422 1 . 1 1 91 91 ASP N N 91 125.185 125.185 121.568 3.617 25554 423 1 . 1 1 91 91 ASP C C 91 176.566 176.566 177.805 -1.239 25554 424 1 . 1 1 91 91 ASP CA C 91 52.822 52.822 52.727 0.095 25554 425 1 . 1 1 91 91 ASP CB C 91 39.938 39.938 42.073 -2.135 25554 426 1 . 1 1 91 91 ASP H H 91 9.056 9.056 8.542 0.514 25554 427 1 . 1 1 92 92 VAL N N 92 115.158 115.158 123.368 -8.210 25554 428 1 . 1 1 92 92 VAL C C 92 173.342 173.342 177.622 -4.280 25554 429 1 . 1 1 92 92 VAL CA C 92 64.534 64.534 65.538 -1.004 25554 430 1 . 1 1 92 92 VAL CB C 92 37.596 37.596 31.683 5.913 25554 431 1 . 1 1 92 92 VAL H H 92 7.738 7.738 8.605 -0.867 25554 432 1 . 1 1 93 93 THR N N 93 112.302 112.302 113.692 -1.390 25554 433 1 . 1 1 93 93 THR C C 93 177.152 177.152 174.761 2.391 25554 434 1 . 1 1 93 93 THR CA C 93 64.534 64.534 65.226 -0.691 25554 435 1 . 1 1 93 93 THR CB C 93 72.147 72.147 69.041 3.106 25554 436 1 . 1 1 93 93 THR H H 93 7.269 7.269 8.477 -1.208 25554 437 1 . 1 1 94 94 SER N N 94 122.263 122.263 115.201 7.062 25554 438 1 . 1 1 94 94 SER C C 94 163.965 163.965 175.070 -11.105 25554 439 1 . 1 1 94 94 SER CA C 94 59.849 59.849 55.971 3.878 25554 440 1 . 1 1 94 94 SER CB C 94 62.192 62.192 64.214 -2.022 25554 441 1 . 1 1 94 94 SER H H 94 7.628 7.628 7.742 -0.114 25554 442 1 . 1 1 95 95 ARG N N 95 113.099 113.099 128.016 -14.917 25554 443 1 . 1 1 95 95 ARG C C 95 176.273 176.273 177.980 -1.707 25554 444 1 . 1 1 95 95 ARG CA C 95 53.407 53.407 59.277 -5.870 25554 445 1 . 1 1 95 95 ARG CB C 95 31.154 31.154 30.062 1.092 25554 446 1 . 1 1 95 95 ARG H H 95 8.102 8.102 9.096 -0.994 25554 447 1 . 1 1 96 96 VAL N N 96 124.787 124.787 118.537 6.250 25554 448 1 . 1 1 96 96 VAL C C 96 178.031 178.031 177.486 0.545 25554 449 1 . 1 1 96 96 VAL CA C 96 68.634 68.634 66.175 2.459 25554 450 1 . 1 1 96 96 VAL CB C 96 24.126 24.126 31.478 -7.352 25554 451 1 . 1 1 96 96 VAL H H 96 9.146 9.146 7.976 1.170 25554 452 1 . 1 1 97 97 THR N N 97 111.970 111.970 113.572 -1.602 25554 453 1 . 1 1 97 97 THR C C 97 178.031 178.031 176.343 1.688 25554 454 1 . 1 1 97 97 THR CA C 97 63.949 63.949 65.624 -1.675 25554 455 1 . 1 1 97 97 THR CB C 97 70.390 70.390 68.995 1.395 25554 456 1 . 1 1 97 97 THR H H 97 7.984 7.984 7.649 0.335 25554 457 1 . 1 1 98 98 TYR N N 98 113.232 113.232 122.765 -9.533 25554 458 1 . 1 1 98 98 TYR C C 98 176.273 176.273 177.305 -1.032 25554 459 1 . 1 1 98 98 TYR H H 98 7.605 7.605 7.670 -0.065 25554 460 1 . 1 1 99 99 LYS N N 99 121.998 121.998 118.581 3.417 25554 461 1 . 1 1 99 99 LYS C C 99 174.221 174.221 178.761 -4.540 25554 462 1 . 1 1 99 99 LYS CA C 99 59.264 59.264 59.233 0.031 25554 463 1 . 1 1 99 99 LYS CB C 99 34.668 34.668 32.502 2.166 25554 464 1 . 1 1 99 99 LYS H H 99 8.129 8.129 7.938 0.191 25554 465 1 . 1 1 100 100 ASN N N 100 111.970 111.970 117.722 -5.752 25554 466 1 . 1 1 100 100 ASN C C 100 175.979 175.979 177.559 -1.580 25554 467 1 . 1 1 100 100 ASN CA C 100 53.407 53.407 55.172 -1.765 25554 468 1 . 1 1 100 100 ASN CB C 100 37.596 37.596 38.372 -0.776 25554 469 1 . 1 1 100 100 ASN H H 100 5.778 5.778 8.051 -2.272 25554 470 1 . 1 1 101 101 VAL N N 101 118.877 118.877 121.252 -2.375 25554 471 1 . 1 1 101 101 VAL C C 101 173.635 173.635 174.786 -1.151 25554 472 1 . 1 1 101 101 VAL CA C 101 62.777 62.777 68.758 -5.980 25554 473 1 . 1 1 101 101 VAL CB C 101 27.054 27.054 29.379 -2.325 25554 474 1 . 1 1 101 101 VAL H H 101 7.370 7.370 7.734 -0.364 25554 475 1 . 1 1 102 102 PRO C C 102 176.566 176.566 178.730 -2.164 25554 476 1 . 1 1 102 102 PRO CA C 102 62.500 62.500 66.490 -3.990 25554 477 1 . 1 1 102 102 PRO CB C 102 30.853 30.853 31.142 -0.289 25554 478 1 . 1 1 103 103 ASN N N 103 122.728 122.728 116.915 5.814 25554 479 1 . 1 1 103 103 ASN C C 103 175.100 175.100 177.480 -2.380 25554 480 1 . 1 1 103 103 ASN CA C 103 54.579 54.579 55.784 -1.205 25554 481 1 . 1 1 103 103 ASN CB C 103 38.767 38.767 37.628 1.139 25554 482 1 . 1 1 103 103 ASN H H 103 7.879 7.879 8.166 -0.287 25554 483 1 . 1 1 104 104 TRP N N 104 132.158 132.158 121.101 11.057 25554 484 1 . 1 1 104 104 TRP C C 104 176.273 176.273 178.886 -2.613 25554 485 1 . 1 1 104 104 TRP CA C 104 60.435 60.435 61.278 -0.843 25554 486 1 . 1 1 104 104 TRP CB C 104 29.983 29.983 29.280 0.703 25554 487 1 . 1 1 104 104 TRP H H 104 9.541 9.541 7.905 1.636 25554 488 1 . 1 1 105 105 HIS N N 105 120.869 120.869 118.969 1.900 25554 489 1 . 1 1 105 105 HIS C C 105 177.738 177.738 177.437 0.301 25554 490 1 . 1 1 105 105 HIS H H 105 6.971 6.971 8.682 -1.711 25554 491 1 . 1 1 106 106 ARG N N 106 126.314 126.314 119.158 7.156 25554 492 1 . 1 1 106 106 ARG C C 106 176.566 176.566 178.418 -1.852 25554 493 1 . 1 1 106 106 ARG CA C 106 62.777 62.777 59.845 2.932 25554 494 1 . 1 1 106 106 ARG CB C 106 29.397 29.397 30.054 -0.657 25554 495 1 . 1 1 106 106 ARG H H 106 7.507 7.507 8.402 -0.895 25554 496 1 . 1 1 107 107 ASP N N 107 119.076 119.076 120.081 -1.005 25554 497 1 . 1 1 107 107 ASP C C 107 176.566 176.566 178.610 -2.044 25554 498 1 . 1 1 107 107 ASP CA C 107 55.164 55.164 57.193 -2.029 25554 499 1 . 1 1 107 107 ASP CB C 107 41.695 41.695 40.366 1.330 25554 500 1 . 1 1 107 107 ASP H H 107 9.076 9.076 8.026 1.050 25554 501 1 . 1 1 108 108 LEU N N 108 113.299 113.299 121.421 -8.122 25554 502 1 . 1 1 108 108 LEU C C 108 176.273 176.273 178.075 -1.802 25554 503 1 . 1 1 108 108 LEU CA C 108 59.264 59.264 57.669 1.595 25554 504 1 . 1 1 108 108 LEU CB C 108 48.722 48.722 41.945 6.777 25554 505 1 . 1 1 108 108 LEU H H 108 6.725 6.725 8.072 -1.347 25554 506 1 . 1 1 109 109 VAL N N 109 121.267 121.267 119.123 2.144 25554 507 1 . 1 1 109 109 VAL C C 109 175.393 175.393 178.242 -2.849 25554 508 1 . 1 1 109 109 VAL CA C 109 63.949 63.949 65.879 -1.930 25554 509 1 . 1 1 109 109 VAL CB C 109 32.911 32.911 31.399 1.512 25554 510 1 . 1 1 109 109 VAL H H 109 8.763 8.763 8.137 0.625 25554 511 1 . 1 1 110 110 ARG N N 110 112.900 112.900 119.260 -6.360 25554 512 1 . 1 1 110 110 ARG C C 110 176.273 176.273 178.143 -1.870 25554 513 1 . 1 1 110 110 ARG CA C 110 57.507 57.507 58.976 -1.469 25554 514 1 . 1 1 110 110 ARG CB C 110 30.568 30.568 30.297 0.271 25554 515 1 . 1 1 110 110 ARG H H 110 7.241 7.241 7.620 -0.379 25554 516 1 . 1 1 111 111 VAL N N 111 115.556 115.556 116.953 -1.397 25554 517 1 . 1 1 111 111 VAL C C 111 177.445 177.445 176.338 1.107 25554 518 1 . 1 1 111 111 VAL CA C 111 59.849 59.849 65.232 -5.383 25554 519 1 . 1 1 111 111 VAL CB C 111 32.911 32.911 32.612 0.299 25554 520 1 . 1 1 111 111 VAL H H 111 7.566 7.566 7.436 0.130 25554 521 1 . 1 1 112 112 CYS N N 112 114.295 114.295 118.589 -4.294 25554 522 1 . 1 1 112 112 CYS C C 112 169.826 169.826 172.874 -3.048 25554 523 1 . 1 1 112 112 CYS CA C 112 57.507 57.507 58.116 -0.609 25554 524 1 . 1 1 112 112 CYS CB C 112 35.839 35.839 30.604 5.235 25554 525 1 . 1 1 112 112 CYS H H 112 7.425 7.425 8.155 -0.730 25554 526 1 . 1 1 113 113 GLU N N 113 116.486 116.486 125.303 -8.817 25554 527 1 . 1 1 113 113 GLU C C 113 176.566 176.566 175.763 0.803 25554 528 1 . 1 1 113 113 GLU CA C 113 69.219 69.219 56.142 13.077 25554 529 1 . 1 1 113 113 GLU CB C 113 30.568 30.568 31.076 -0.508 25554 530 1 . 1 1 113 113 GLU H H 113 7.241 7.241 8.664 -1.423 25554 531 1 . 1 1 114 114 ASN N N 114 129.302 129.302 118.083 11.220 25554 532 1 . 1 1 114 114 ASN C C 114 175.100 175.100 174.768 0.332 25554 533 1 . 1 1 114 114 ASN CA C 114 52.236 52.236 54.116 -1.880 25554 534 1 . 1 1 114 114 ASN CB C 114 39.938 39.938 37.287 2.651 25554 535 1 . 1 1 114 114 ASN H H 114 8.919 8.919 8.739 0.180 25554 536 1 . 1 1 115 115 ILE N N 115 110.443 110.443 114.388 -3.946 25554 537 1 . 1 1 115 115 ILE C C 115 175.100 175.100 174.630 0.471 25554 538 1 . 1 1 115 115 ILE CA C 115 65.705 65.705 58.933 6.772 25554 539 1 . 1 1 115 115 ILE CB C 115 39.353 39.353 38.322 1.031 25554 540 1 . 1 1 115 115 ILE H H 115 9.287 9.287 7.526 1.761 25554 541 1 . 1 1 116 116 PRO C C 116 175.979 175.979 175.580 0.399 25554 542 1 . 1 1 116 116 PRO CA C 116 63.086 63.086 62.907 0.179 25554 543 1 . 1 1 116 116 PRO CB C 116 29.681 29.681 32.524 -2.843 25554 544 1 . 1 1 117 117 ILE N N 117 123.591 123.591 124.610 -1.019 25554 545 1 . 1 1 117 117 ILE C C 117 174.807 174.807 175.064 -0.257 25554 546 1 . 1 1 117 117 ILE CA C 117 66.291 66.291 60.106 6.184 25554 547 1 . 1 1 117 117 ILE CB C 117 38.767 38.767 42.086 -3.319 25554 548 1 . 1 1 117 117 ILE H H 117 7.781 7.781 8.744 -0.963 25554 549 1 . 1 1 118 118 VAL N N 118 119.009 119.009 125.579 -6.570 25554 550 1 . 1 1 118 118 VAL C C 118 178.324 178.324 174.172 4.152 25554 551 1 . 1 1 118 118 VAL CA C 118 62.777 62.777 60.609 2.168 25554 552 1 . 1 1 118 118 VAL CB C 118 31.154 31.154 34.729 -3.575 25554 553 1 . 1 1 118 118 VAL H H 118 8.767 8.767 8.871 -0.104 25554 554 1 . 1 1 119 119 LEU N N 119 119.408 119.408 128.964 -9.556 25554 555 1 . 1 1 119 119 LEU C C 119 178.031 178.031 174.846 3.185 25554 556 1 . 1 1 119 119 LEU CA C 119 42.866 42.866 53.345 -10.479 25554 557 1 . 1 1 119 119 LEU CB C 119 38.767 38.767 44.956 -6.189 25554 558 1 . 1 1 119 119 LEU H H 119 7.734 7.734 8.948 -1.214 25554 559 1 . 1 1 120 120 CYS N N 120 113.232 113.232 125.229 -11.997 25554 560 1 . 1 1 120 120 CYS C C 120 178.031 178.031 173.614 4.417 25554 561 1 . 1 1 120 120 CYS H H 120 8.317 8.317 9.160 -0.843 25554 562 1 . 1 1 121 121 GLY N N 121 117.349 117.349 112.161 5.188 25554 563 1 . 1 1 121 121 GLY C C 121 176.851 176.851 172.334 4.517 25554 564 1 . 1 1 121 121 GLY CA C 121 41.109 41.109 43.492 -2.383 25554 565 1 . 1 1 121 121 GLY H H 121 7.515 7.515 8.711 -1.196 25554 566 1 . 1 1 122 122 ASN N N 122 125.318 125.318 124.457 0.861 25554 567 1 . 1 1 122 122 ASN C C 122 175.686 175.686 175.206 0.480 25554 568 1 . 1 1 122 122 ASN CA C 122 50.479 50.479 51.062 -0.583 25554 569 1 . 1 1 122 122 ASN CB C 122 39.353 39.353 41.723 -2.370 25554 570 1 . 1 1 122 122 ASN H H 122 9.162 9.162 8.319 0.843 25554 571 1 . 1 1 123 123 LYS N N 123 124.920 124.920 117.417 7.503 25554 572 1 . 1 1 123 123 LYS C C 123 176.566 176.566 177.282 -0.716 25554 573 1 . 1 1 123 123 LYS CA C 123 70.976 70.976 57.337 13.639 25554 574 1 . 1 1 123 123 LYS CB C 123 35.253 35.253 30.201 5.052 25554 575 1 . 1 1 123 123 LYS H H 123 8.086 8.086 8.849 -0.763 25554 576 1 . 1 1 124 124 VAL N N 124 125.517 125.517 114.078 11.439 25554 577 1 . 1 1 124 124 VAL C C 124 177.738 177.738 176.322 1.416 25554 578 1 . 1 1 124 124 VAL CA C 124 62.777 62.777 64.551 -1.774 25554 579 1 . 1 1 124 124 VAL CB C 124 33.496 33.496 31.578 1.918 25554 580 1 . 1 1 124 124 VAL H H 124 9.483 9.483 7.560 1.923 25554 581 1 . 1 1 125 125 ASP N N 125 119.607 119.607 119.841 -0.234 25554 582 1 . 1 1 125 125 ASP C C 125 176.566 176.566 177.035 -0.469 25554 583 1 . 1 1 125 125 ASP CA C 125 55.750 55.750 56.269 -0.519 25554 584 1 . 1 1 125 125 ASP CB C 125 40.524 40.524 40.612 -0.088 25554 585 1 . 1 1 125 125 ASP H H 125 7.875 7.875 7.934 -0.059 25554 586 1 . 1 1 126 126 ILE N N 126 116.088 116.088 120.890 -4.802 25554 587 1 . 1 1 126 126 ILE C C 126 177.152 177.152 176.749 0.404 25554 588 1 . 1 1 126 126 ILE CA C 126 66.291 66.291 61.598 4.693 25554 589 1 . 1 1 126 126 ILE CB C 126 39.353 39.353 38.634 0.719 25554 590 1 . 1 1 126 126 ILE H H 126 7.511 7.511 7.368 0.143 25554 591 1 . 1 1 127 127 LYS N N 127 117.681 117.681 124.189 -6.508 25554 592 1 . 1 1 127 127 LYS C C 127 177.152 177.152 177.152 0.000 25554 593 1 . 1 1 127 127 LYS CA C 127 57.507 57.507 58.264 -0.757 25554 594 1 . 1 1 127 127 LYS CB C 127 31.154 31.154 32.622 -1.468 25554 595 1 . 1 1 127 127 LYS H H 127 8.059 8.059 8.394 -0.335 25554 596 1 . 1 1 128 128 ASP N N 128 118.279 118.279 119.406 -1.127 25554 597 1 . 1 1 128 128 ASP C C 128 176.566 176.566 175.117 1.449 25554 598 1 . 1 1 128 128 ASP CA C 128 53.407 53.407 53.140 0.267 25554 599 1 . 1 1 128 128 ASP CB C 128 40.524 40.524 40.265 0.259 25554 600 1 . 1 1 128 128 ASP H H 128 7.241 7.241 8.093 -0.852 25554 601 1 . 1 1 129 129 ARG N N 129 118.943 118.943 125.395 -6.452 25554 602 1 . 1 1 129 129 ARG C C 129 177.738 177.738 176.054 1.684 25554 603 1 . 1 1 129 129 ARG CA C 129 45.794 45.794 55.749 -9.955 25554 604 1 . 1 1 129 129 ARG CB C 129 31.154 31.154 30.634 0.520 25554 605 1 . 1 1 129 129 ARG H H 129 8.423 8.423 8.056 0.367 25554 606 1 . 1 1 130 130 LYS N N 130 109.381 109.381 123.810 -14.429 25554 607 1 . 1 1 130 130 LYS C C 130 176.566 176.566 176.704 -0.138 25554 608 1 . 1 1 130 130 LYS CA C 130 55.164 55.164 57.517 -2.353 25554 609 1 . 1 1 130 130 LYS CB C 130 36.424 36.424 33.083 3.341 25554 610 1 . 1 1 130 130 LYS H H 130 7.296 7.296 8.456 -1.159 25554 611 1 . 1 1 131 131 VAL N N 131 110.377 110.377 120.273 -9.896 25554 612 1 . 1 1 131 131 VAL C C 131 178.617 178.617 174.601 4.016 25554 613 1 . 1 1 131 131 VAL CA C 131 65.705 65.705 61.998 3.708 25554 614 1 . 1 1 131 131 VAL CB C 131 35.839 35.839 32.308 3.531 25554 615 1 . 1 1 131 131 VAL H H 131 9.283 9.283 8.042 1.241 25554 616 1 . 1 1 132 132 LYS N N 132 110.310 110.310 126.197 -15.887 25554 617 1 . 1 1 132 132 LYS C C 132 176.273 176.273 177.140 -0.867 25554 618 1 . 1 1 132 132 LYS CA C 132 59.849 59.849 54.478 5.371 25554 619 1 . 1 1 132 132 LYS CB C 132 35.253 35.253 35.127 0.126 25554 620 1 . 1 1 132 132 LYS H H 132 9.709 9.709 7.958 1.751 25554 621 1 . 1 1 133 133 ALA N N 133 134.349 134.349 124.304 10.045 25554 622 1 . 1 1 133 133 ALA CA C 133 51.065 51.065 55.167 -4.102 25554 623 1 . 1 1 133 133 ALA CB C 133 12.999 12.999 18.397 -5.398 25554 624 1 . 1 1 133 133 ALA H H 133 6.322 6.322 8.852 -2.530 25554 625 1 . 1 1 134 134 LYS N N 134 117.615 117.615 116.525 1.090 25554 626 1 . 1 1 134 134 LYS C C 134 176.859 176.859 177.409 -0.550 25554 627 1 . 1 1 134 134 LYS CA C 134 55.750 55.750 58.939 -3.189 25554 628 1 . 1 1 134 134 LYS CB C 134 54.579 54.579 32.156 22.423 25554 629 1 . 1 1 134 134 LYS H H 134 6.549 6.549 8.366 -1.817 25554 630 1 . 1 1 135 135 SER N N 135 109.314 109.314 111.739 -2.425 25554 631 1 . 1 1 135 135 SER C C 135 173.635 173.635 174.555 -0.920 25554 632 1 . 1 1 135 135 SER CA C 135 56.336 56.336 58.403 -2.067 25554 633 1 . 1 1 135 135 SER CB C 135 63.949 63.949 63.368 0.581 25554 634 1 . 1 1 135 135 SER H H 135 7.840 7.840 7.613 0.227 25554 635 1 . 1 1 136 136 ILE N N 136 124.123 124.123 124.126 -0.003 25554 636 1 . 1 1 136 136 ILE C C 136 175.100 175.100 176.078 -0.978 25554 637 1 . 1 1 136 136 ILE CA C 136 68.634 68.634 60.731 7.903 25554 638 1 . 1 1 136 136 ILE CB C 136 43.452 43.452 35.432 8.020 25554 639 1 . 1 1 136 136 ILE H H 136 8.098 8.098 7.221 0.877 25554 640 1 . 1 1 137 137 VAL N N 137 113.232 113.232 121.884 -8.652 25554 641 1 . 1 1 137 137 VAL C C 137 176.859 176.859 176.544 0.315 25554 642 1 . 1 1 137 137 VAL CA C 137 64.534 64.534 62.920 1.614 25554 643 1 . 1 1 137 137 VAL CB C 137 34.082 34.082 31.824 2.258 25554 644 1 . 1 1 137 137 VAL H H 137 7.711 7.711 8.003 -0.292 25554 645 1 . 1 1 138 138 PHE N N 138 118.279 118.279 122.038 -3.759 25554 646 1 . 1 1 138 138 PHE C C 138 175.393 175.393 176.387 -0.994 25554 647 1 . 1 1 138 138 PHE CA C 138 58.092 58.092 61.676 -3.584 25554 648 1 . 1 1 138 138 PHE CB C 138 39.353 39.353 38.977 0.376 25554 649 1 . 1 1 138 138 PHE H H 138 8.317 8.317 8.060 0.257 25554 650 1 . 1 1 139 139 HIS N N 139 107.654 107.654 116.112 -8.458 25554 651 1 . 1 1 139 139 HIS C C 139 175.979 175.979 177.313 -1.333 25554 652 1 . 1 1 139 139 HIS CA C 139 53.993 53.993 59.385 -5.392 25554 653 1 . 1 1 139 139 HIS CB C 139 28.811 28.811 29.123 -0.312 25554 654 1 . 1 1 139 139 HIS H H 139 8.016 8.016 8.533 -0.517 25554 655 1 . 1 1 140 140 ARG N N 140 117.084 117.084 119.344 -2.260 25554 656 1 . 1 1 140 140 ARG C C 140 176.859 176.859 178.030 -1.171 25554 657 1 . 1 1 140 140 ARG CA C 140 57.507 57.507 58.705 -1.198 25554 658 1 . 1 1 140 140 ARG CB C 140 31.739 31.739 29.770 1.970 25554 659 1 . 1 1 140 140 ARG H H 140 8.763 8.763 7.066 1.697 25554 660 1 . 1 1 141 141 LYS N N 141 115.623 115.623 117.664 -2.041 25554 661 1 . 1 1 141 141 LYS C C 141 173.635 173.635 178.276 -4.641 25554 662 1 . 1 1 141 141 LYS CA C 141 58.092 58.092 58.507 -0.415 25554 663 1 . 1 1 141 141 LYS CB C 141 33.496 33.496 32.323 1.173 25554 664 1 . 1 1 141 141 LYS H H 141 7.449 7.449 7.345 0.104 25554 665 1 . 1 1 142 142 LYS N N 142 114.162 114.162 115.069 -0.907 25554 666 1 . 1 1 142 142 LYS C C 142 175.979 175.979 176.353 -0.374 25554 667 1 . 1 1 142 142 LYS CA C 142 51.065 51.065 55.168 -4.103 25554 668 1 . 1 1 142 142 LYS CB C 142 34.668 34.668 32.333 2.335 25554 669 1 . 1 1 142 142 LYS H H 142 8.982 8.982 7.346 1.636 25554 670 1 . 1 1 143 143 ASN N N 143 112.103 112.103 114.918 -2.815 25554 671 1 . 1 1 143 143 ASN C C 143 175.100 175.100 174.533 0.567 25554 672 1 . 1 1 143 143 ASN CA C 143 53.407 53.407 53.892 -0.485 25554 673 1 . 1 1 143 143 ASN CB C 143 39.938 39.938 36.750 3.188 25554 674 1 . 1 1 143 143 ASN H H 143 7.402 7.402 8.357 -0.955 25554 675 1 . 1 1 144 144 LEU N N 144 118.810 118.810 118.211 0.599 25554 676 1 . 1 1 144 144 LEU CA C 144 53.993 53.993 54.849 -0.856 25554 677 1 . 1 1 144 144 LEU CB C 144 42.866 42.866 43.117 -0.251 25554 678 1 . 1 1 144 144 LEU H H 144 7.793 7.793 7.575 0.218 25554 679 1 . 1 1 145 145 GLN N N 145 119.607 119.607 119.517 0.090 25554 680 1 . 1 1 145 145 GLN C C 145 176.859 176.859 173.899 2.960 25554 681 1 . 1 1 145 145 GLN CA C 145 55.164 55.164 53.614 1.550 25554 682 1 . 1 1 145 145 GLN CB C 145 29.983 29.983 30.631 -0.648 25554 683 1 . 1 1 145 145 GLN H H 145 7.014 7.014 7.740 -0.726 25554 684 1 . 1 1 146 146 TYR N N 146 119.275 119.275 126.415 -7.140 25554 685 1 . 1 1 146 146 TYR C C 146 174.807 174.807 174.276 0.531 25554 686 1 . 1 1 146 146 TYR CA C 146 62.777 62.777 56.034 6.743 25554 687 1 . 1 1 146 146 TYR CB C 146 41.109 41.109 40.468 0.641 25554 688 1 . 1 1 146 146 TYR H H 146 9.350 9.350 8.155 1.195 25554 689 1 . 1 1 147 147 TYR N N 147 123.658 123.658 125.704 -2.046 25554 690 1 . 1 1 147 147 TYR C C 147 177.738 177.738 173.888 3.850 25554 691 1 . 1 1 147 147 TYR CA C 147 58.092 58.092 56.042 2.050 25554 692 1 . 1 1 147 147 TYR CB C 147 39.938 39.938 41.924 -1.986 25554 693 1 . 1 1 147 147 TYR H H 147 8.340 8.340 8.378 -0.038 25554 694 1 . 1 1 148 148 ASP N N 148 121.267 121.267 122.692 -1.425 25554 695 1 . 1 1 148 148 ASP C C 148 176.859 176.859 175.008 1.851 25554 696 1 . 1 1 148 148 ASP CA C 148 54.579 54.579 54.443 0.136 25554 697 1 . 1 1 148 148 ASP CB C 148 41.109 41.109 41.525 -0.416 25554 698 1 . 1 1 148 148 ASP H H 148 8.911 8.911 8.433 0.478 25554 699 1 . 1 1 149 149 ILE N N 149 119.607 119.607 123.254 -3.647 25554 700 1 . 1 1 149 149 ILE C C 149 174.807 174.807 174.291 0.516 25554 701 1 . 1 1 149 149 ILE CA C 149 61.020 61.020 60.118 0.902 25554 702 1 . 1 1 149 149 ILE CB C 149 39.353 39.353 42.291 -2.938 25554 703 1 . 1 1 149 149 ILE H H 149 8.712 8.712 8.878 -0.167 25554 704 1 . 1 1 150 150 SER N N 150 117.349 117.349 122.181 -4.832 25554 705 1 . 1 1 150 150 SER C C 150 175.686 175.686 174.305 1.381 25554 706 1 . 1 1 150 150 SER CA C 150 60.435 60.435 56.465 3.970 25554 707 1 . 1 1 150 150 SER CB C 150 62.192 62.192 64.814 -2.622 25554 708 1 . 1 1 150 150 SER H H 150 8.454 8.454 8.950 -0.496 25554 709 1 . 1 1 151 151 ALA N N 151 131.162 131.162 130.871 0.291 25554 710 1 . 1 1 151 151 ALA C C 151 160.742 160.742 179.241 -18.499 25554 711 1 . 1 1 151 151 ALA CA C 151 53.993 53.993 55.513 -1.520 25554 712 1 . 1 1 151 151 ALA CB C 151 22.369 22.369 18.833 3.536 25554 713 1 . 1 1 151 151 ALA H H 151 10.640 10.640 9.045 1.595 25554 714 1 . 1 1 152 152 LYS N N 152 121.400 121.400 118.143 3.257 25554 715 1 . 1 1 152 152 LYS C C 152 174.221 174.221 178.217 -3.996 25554 716 1 . 1 1 152 152 LYS CA C 152 59.849 59.849 59.636 0.213 25554 717 1 . 1 1 152 152 LYS CB C 152 34.668 34.668 32.279 2.388 25554 718 1 . 1 1 152 152 LYS H H 152 9.099 9.099 8.605 0.494 25554 719 1 . 1 1 153 153 SER N N 153 115.212 115.212 111.875 3.337 25554 720 1 . 1 1 153 153 SER C C 153 177.152 177.152 174.320 2.832 25554 721 1 . 1 1 153 153 SER CA C 153 62.192 62.192 58.410 3.782 25554 722 1 . 1 1 153 153 SER CB C 153 66.291 66.291 63.379 2.911 25554 723 1 . 1 1 153 153 SER H H 153 8.935 8.935 8.028 0.907 25554 724 1 . 1 1 154 154 ASN N N 154 119.341 119.341 117.154 2.187 25554 725 1 . 1 1 154 154 ASN C C 154 175.979 175.979 173.902 2.077 25554 726 1 . 1 1 154 154 ASN CA C 154 49.894 49.894 54.598 -4.704 25554 727 1 . 1 1 154 154 ASN CB C 154 39.353 39.353 36.643 2.710 25554 728 1 . 1 1 154 154 ASN H H 154 7.488 7.488 7.824 -0.336 25554 729 1 . 1 1 155 155 TYR N N 155 113.498 113.498 122.382 -8.884 25554 730 1 . 1 1 155 155 TYR C C 155 173.928 173.928 174.961 -1.033 25554 731 1 . 1 1 155 155 TYR CA C 155 56.336 56.336 58.682 -2.346 25554 732 1 . 1 1 155 155 TYR CB C 155 37.596 37.596 39.191 -1.595 25554 733 1 . 1 1 155 155 TYR H H 155 6.486 6.486 8.300 -1.814 25554 734 1 . 1 1 156 156 ASN N N 156 122.396 122.396 123.371 -0.975 25554 735 1 . 1 1 156 156 ASN C C 156 175.979 175.979 174.784 1.195 25554 736 1 . 1 1 156 156 ASN CA C 156 51.651 51.651 54.004 -2.353 25554 737 1 . 1 1 156 156 ASN CB C 156 38.767 38.767 36.329 2.438 25554 738 1 . 1 1 156 156 ASN H H 156 8.352 8.352 8.822 -0.470 25554 739 1 . 1 1 157 157 PHE N N 157 123.459 123.459 117.869 5.590 25554 740 1 . 1 1 157 157 PHE C C 157 174.221 174.221 176.670 -2.450 25554 741 1 . 1 1 157 157 PHE CA C 157 57.507 57.507 60.904 -3.397 25554 742 1 . 1 1 157 157 PHE CB C 157 39.353 39.353 39.166 0.187 25554 743 1 . 1 1 157 157 PHE H H 157 7.429 7.429 8.109 -0.680 25554 744 1 . 1 1 158 158 GLU N N 158 112.568 112.568 119.134 -6.566 25554 745 1 . 1 1 158 158 GLU C C 158 176.566 176.566 178.245 -1.679 25554 746 1 . 1 1 158 158 GLU CA C 158 72.147 72.147 59.289 12.858 25554 747 1 . 1 1 158 158 GLU CB C 158 27.640 27.640 28.726 -1.086 25554 748 1 . 1 1 158 158 GLU H H 158 7.495 7.495 8.686 -1.191 25554 749 1 . 1 1 159 159 LYS N N 159 113.232 113.232 119.564 -6.332 25554 750 1 . 1 1 159 159 LYS C C 159 176.566 176.566 175.744 0.822 25554 751 1 . 1 1 159 159 LYS CA C 159 53.993 53.993 60.622 -6.629 25554 752 1 . 1 1 159 159 LYS CB C 159 33.496 33.496 29.929 3.567 25554 753 1 . 1 1 159 159 LYS H H 159 6.862 6.862 7.742 -0.879 25554 754 1 . 1 1 160 160 PRO C C 160 176.273 176.273 178.537 -2.264 25554 755 1 . 1 1 160 160 PRO CA C 160 64.258 64.258 65.805 -1.547 25554 756 1 . 1 1 160 160 PRO CB C 160 32.318 32.318 31.126 1.192 25554 757 1 . 1 1 161 161 PHE N N 161 120.271 120.271 115.771 4.500 25554 758 1 . 1 1 161 161 PHE C C 161 175.100 175.100 177.682 -2.582 25554 759 1 . 1 1 161 161 PHE CA C 161 56.336 56.336 61.643 -5.307 25554 760 1 . 1 1 161 161 PHE CB C 161 39.353 39.353 37.983 1.370 25554 761 1 . 1 1 161 161 PHE H H 161 8.074 8.074 7.248 0.826 25554 762 1 . 1 1 162 162 LEU N N 162 110.177 110.177 120.762 -10.585 25554 763 1 . 1 1 162 162 LEU C C 162 176.273 176.273 177.993 -1.720 25554 764 1 . 1 1 162 162 LEU CA C 162 55.750 55.750 58.057 -2.307 25554 765 1 . 1 1 162 162 LEU CB C 162 44.037 44.037 41.165 2.872 25554 766 1 . 1 1 162 162 LEU H H 162 7.527 7.527 8.322 -0.795 25554 767 1 . 1 1 163 163 TRP N N 163 123.525 123.525 120.975 2.550 25554 768 1 . 1 1 163 163 TRP C C 163 177.152 177.152 178.119 -0.967 25554 769 1 . 1 1 163 163 TRP CA C 163 61.606 61.606 62.394 -0.788 25554 770 1 . 1 1 163 163 TRP CB C 163 28.811 28.811 29.572 -0.760 25554 771 1 . 1 1 163 163 TRP H H 163 7.476 7.476 8.003 -0.527 25554 772 1 . 1 1 164 164 LEU N N 164 119.740 119.740 118.975 0.765 25554 773 1 . 1 1 164 164 LEU C C 164 175.686 175.686 179.062 -3.376 25554 774 1 . 1 1 164 164 LEU CA C 164 61.020 61.020 57.890 3.130 25554 775 1 . 1 1 164 164 LEU CB C 164 45.794 45.794 41.453 4.341 25554 776 1 . 1 1 164 164 LEU H H 164 9.412 9.412 8.066 1.346 25554 777 1 . 1 1 165 165 ALA N N 165 118.013 118.013 121.779 -3.766 25554 778 1 . 1 1 165 165 ALA C C 165 165.723 165.723 179.469 -13.746 25554 779 1 . 1 1 165 165 ALA CA C 165 52.236 52.236 55.336 -3.100 25554 780 1 . 1 1 165 165 ALA CB C 165 21.784 21.784 18.361 3.423 25554 781 1 . 1 1 165 165 ALA H H 165 7.707 7.707 8.594 -0.887 25554 782 1 . 1 1 166 166 ARG N N 166 122.994 122.994 118.143 4.851 25554 783 1 . 1 1 166 166 ARG C C 166 175.979 175.979 178.944 -2.965 25554 784 1 . 1 1 166 166 ARG CA C 166 49.308 49.308 59.309 -10.001 25554 785 1 . 1 1 166 166 ARG CB C 166 29.397 29.397 30.025 -0.628 25554 786 1 . 1 1 166 166 ARG H H 166 8.692 8.692 8.174 0.518 25554 787 1 . 1 1 167 167 LYS N N 167 112.568 112.568 119.267 -6.699 25554 788 1 . 1 1 167 167 LYS C C 167 176.273 176.273 179.200 -2.926 25554 789 1 . 1 1 167 167 LYS CA C 167 58.092 58.092 58.419 -0.327 25554 790 1 . 1 1 167 167 LYS CB C 167 34.668 34.668 31.580 3.088 25554 791 1 . 1 1 167 167 LYS H H 167 6.819 6.819 7.562 -0.743 25554 792 1 . 1 1 168 168 LEU N N 168 114.959 114.959 119.303 -4.344 25554 793 1 . 1 1 168 168 LEU C C 168 177.738 177.738 179.039 -1.301 25554 794 1 . 1 1 168 168 LEU CA C 168 56.921 56.921 57.310 -0.388 25554 795 1 . 1 1 168 168 LEU CB C 168 41.695 41.695 41.496 0.199 25554 796 1 . 1 1 168 168 LEU H H 168 7.269 7.269 7.870 -0.601 25554 797 1 . 1 1 169 169 ILE N N 169 124.986 124.986 116.895 8.091 25554 798 1 . 1 1 169 169 ILE C C 169 171.877 171.877 177.343 -5.466 25554 799 1 . 1 1 169 169 ILE CA C 169 68.048 68.048 63.144 4.904 25554 800 1 . 1 1 169 169 ILE CB C 169 39.353 39.353 38.690 0.663 25554 801 1 . 1 1 169 169 ILE H H 169 8.915 8.915 8.118 0.797 25554 802 1 . 1 1 170 170 GLY N N 170 113.099 113.099 107.066 6.033 25554 803 1 . 1 1 170 170 GLY C C 170 162.496 162.496 173.906 -11.410 25554 804 1 . 1 1 170 170 GLY CA C 170 44.037 44.037 44.979 -0.942 25554 805 1 . 1 1 170 170 GLY H H 170 6.686 6.686 8.105 -1.419 25554 806 1 . 1 1 171 171 ASP N N 171 113.232 113.232 121.499 -8.267 25554 807 1 . 1 1 171 171 ASP C C 171 178.910 178.910 175.590 3.320 25554 808 1 . 1 1 171 171 ASP CA C 171 50.479 50.479 50.526 -0.047 25554 809 1 . 1 1 171 171 ASP CB C 171 41.109 41.109 41.708 -0.599 25554 810 1 . 1 1 171 171 ASP H H 171 6.815 6.815 7.834 -1.019 25554 811 1 . 1 1 172 172 PRO C C 172 176.566 176.566 177.120 -0.554 25554 812 1 . 1 1 172 172 PRO CA C 172 63.965 63.965 64.427 -0.462 25554 813 1 . 1 1 172 172 PRO CB C 172 31.732 31.732 32.137 -0.405 25554 814 1 . 1 1 173 173 ASN N N 173 109.779 109.779 114.439 -4.660 25554 815 1 . 1 1 173 173 ASN C C 173 175.979 175.979 175.834 0.145 25554 816 1 . 1 1 173 173 ASN CA C 173 54.579 54.579 53.845 0.734 25554 817 1 . 1 1 173 173 ASN CB C 173 36.424 36.424 38.638 -2.214 25554 818 1 . 1 1 173 173 ASN H H 173 8.016 8.016 8.344 -0.328 25554 819 1 . 1 1 174 174 LEU N N 174 109.248 109.248 122.679 -13.431 25554 820 1 . 1 1 174 174 LEU C C 174 176.566 176.566 175.296 1.270 25554 821 1 . 1 1 174 174 LEU CA C 174 56.336 56.336 55.950 0.386 25554 822 1 . 1 1 174 174 LEU CB C 174 44.037 44.037 42.580 1.457 25554 823 1 . 1 1 174 174 LEU H H 174 7.871 7.871 7.340 0.531 25554 824 1 . 1 1 175 175 GLU N N 175 125.185 125.185 125.155 0.030 25554 825 1 . 1 1 175 175 GLU C C 175 177.445 177.445 174.883 2.562 25554 826 1 . 1 1 175 175 GLU CA C 175 76.247 76.247 54.654 21.593 25554 827 1 . 1 1 175 175 GLU CB C 175 28.811 28.811 33.750 -4.939 25554 828 1 . 1 1 175 175 GLU H H 175 9.127 9.127 8.482 0.645 25554 829 1 . 1 1 176 176 PHE N N 176 136.873 136.873 120.995 15.878 25554 830 1 . 1 1 176 176 PHE C C 176 178.617 178.617 175.933 2.684 25554 831 1 . 1 1 176 176 PHE CA C 176 59.264 59.264 56.632 2.632 25554 832 1 . 1 1 176 176 PHE CB C 176 44.623 44.623 39.123 5.500 25554 833 1 . 1 1 176 176 PHE H H 176 10.058 10.058 8.811 1.247 25554 834 1 . 1 1 177 177 VAL N N 177 118.877 118.877 124.322 -5.445 25554 835 1 . 1 1 177 177 VAL C C 177 177.445 177.445 175.862 1.583 25554 836 1 . 1 1 177 177 VAL CA C 177 62.777 62.777 64.025 -1.248 25554 837 1 . 1 1 177 177 VAL CB C 177 34.668 34.668 32.724 1.944 25554 838 1 . 1 1 177 177 VAL H H 177 7.789 7.789 9.219 -1.430 25554 839 1 . 1 1 178 178 ALA N N 178 128.904 128.904 121.368 7.536 25554 840 1 . 1 1 178 178 ALA CA C 178 57.507 57.507 51.020 6.487 25554 841 1 . 1 1 178 178 ALA CB C 178 19.441 19.441 21.544 -2.103 25554 842 1 . 1 1 178 178 ALA H H 178 7.566 7.566 7.943 -0.377 25554 843 1 . 1 1 179 179 MET N N 179 120.736 120.736 123.174 -2.438 25554 844 1 . 1 1 179 179 MET C C 179 176.859 176.859 174.932 1.927 25554 845 1 . 1 1 179 179 MET CA C 179 56.336 56.336 52.916 3.420 25554 846 1 . 1 1 179 179 MET CB C 179 34.668 34.668 32.039 2.629 25554 847 1 . 1 1 179 179 MET H H 179 7.930 7.930 8.657 -0.728 25554 848 1 . 1 1 180 180 PRO C C 180 177.445 177.445 175.817 1.628 25554 849 1 . 1 1 180 180 PRO CA C 180 64.844 64.844 62.389 2.455 25554 850 1 . 1 1 180 180 PRO CB C 180 29.974 29.974 32.187 -2.213 25554 851 1 . 1 1 181 181 ALA N N 181 128.439 128.439 123.685 4.754 25554 852 1 . 1 1 181 181 ALA C C 181 176.273 176.273 175.967 0.306 25554 853 1 . 1 1 181 181 ALA CA C 181 58.092 58.092 52.214 5.878 25554 854 1 . 1 1 181 181 ALA CB C 181 21.198 21.198 19.392 1.806 25554 855 1 . 1 1 181 181 ALA H H 181 8.673 8.673 8.223 0.450 25554 856 1 . 1 1 182 182 LEU N N 182 122.130 122.130 123.331 -1.202 25554 857 1 . 1 1 182 182 LEU C C 182 177.445 177.445 176.831 0.614 25554 858 1 . 1 1 182 182 LEU CA C 182 55.164 55.164 52.549 2.615 25554 859 1 . 1 1 182 182 LEU CB C 182 42.866 42.866 45.326 -2.460 25554 860 1 . 1 1 182 182 LEU H H 182 8.821 8.821 8.072 0.750 25554 861 1 . 1 1 183 183 ALA N N 183 108.783 108.783 125.489 -16.706 25554 862 1 . 1 1 183 183 ALA C C 183 160.742 160.742 175.411 -14.668 25554 863 1 . 1 1 183 183 ALA CA C 183 51.651 51.651 50.511 1.140 25554 864 1 . 1 1 183 183 ALA CB C 183 18.856 18.856 18.075 0.781 25554 865 1 . 1 1 183 183 ALA H H 183 7.621 7.621 8.351 -0.730 25554 866 1 . 1 1 184 184 PRO C C 184 177.152 177.152 174.890 2.262 25554 867 1 . 1 1 184 184 PRO CA C 184 64.258 64.258 61.922 2.336 25554 868 1 . 1 1 184 184 PRO CB C 184 29.681 29.681 31.478 -1.797 25554 869 1 . 1 1 185 185 PRO C C 185 175.686 175.686 177.092 -1.406 25554 870 1 . 1 1 185 185 PRO CA C 185 63.379 63.379 63.144 0.235 25554 871 1 . 1 1 185 185 PRO CB C 185 35.248 35.248 32.219 3.029 25554 872 1 . 1 1 186 186 GLU N N 186 104.931 104.931 124.202 -19.271 25554 873 1 . 1 1 186 186 GLU C C 186 174.221 174.221 176.494 -2.273 25554 874 1 . 1 1 186 186 GLU CA C 186 57.507 57.507 58.556 -1.049 25554 875 1 . 1 1 186 186 GLU CB C 186 31.739 31.739 30.194 1.546 25554 876 1 . 1 1 186 186 GLU H H 186 8.673 8.673 8.718 -0.045 25554 877 1 . 1 1 187 187 VAL N N 187 124.455 124.455 112.014 12.441 25554 878 1 . 1 1 187 187 VAL C C 187 178.910 178.910 174.259 4.651 25554 879 1 . 1 1 187 187 VAL CA C 187 63.363 63.363 60.030 3.333 25554 880 1 . 1 1 187 187 VAL CB C 187 34.082 34.082 35.082 -1.000 25554 881 1 . 1 1 187 187 VAL H H 187 8.622 8.622 7.431 1.191 25554 882 1 . 1 1 188 188 VAL N N 188 128.572 128.572 122.321 6.251 25554 883 1 . 1 1 188 188 VAL C C 188 178.324 178.324 175.015 3.309 25554 884 1 . 1 1 188 188 VAL CA C 188 68.634 68.634 60.967 7.667 25554 885 1 . 1 1 188 188 VAL CB C 188 31.154 31.154 33.113 -1.959 25554 886 1 . 1 1 188 188 VAL H H 188 8.497 8.497 8.226 0.271 25554 887 1 . 1 1 189 189 MET N N 189 122.795 122.795 126.619 -3.825 25554 888 1 . 1 1 189 189 MET C C 189 177.445 177.445 175.314 2.131 25554 889 1 . 1 1 189 189 MET CA C 189 55.164 55.164 55.425 -0.261 25554 890 1 . 1 1 189 189 MET CB C 189 35.253 35.253 33.266 1.987 25554 891 1 . 1 1 189 189 MET H H 189 6.991 6.991 8.473 -1.482 25554 892 1 . 1 1 190 190 ASP N N 190 114.959 114.959 127.869 -12.910 25554 893 1 . 1 1 190 190 ASP C C 190 175.686 175.686 175.425 0.261 25554 894 1 . 1 1 190 190 ASP CA C 190 51.065 51.065 52.053 -0.988 25554 895 1 . 1 1 190 190 ASP CB C 190 41.695 41.695 41.440 0.255 25554 896 1 . 1 1 190 190 ASP H H 190 7.210 7.210 8.521 -1.311 25554 897 1 . 1 1 191 191 PRO C C 191 176.566 176.566 178.081 -1.515 25554 898 1 . 1 1 191 191 PRO CA C 191 63.965 63.965 65.471 -1.506 25554 899 1 . 1 1 191 191 PRO CB C 191 31.146 31.146 31.785 -0.640 25554 900 1 . 1 1 192 192 ALA N N 192 109.513 109.513 120.328 -10.815 25554 901 1 . 1 1 192 192 ALA CA C 192 53.993 53.993 54.831 -0.838 25554 902 1 . 1 1 192 192 ALA CB C 192 19.441 19.441 18.057 1.384 25554 903 1 . 1 1 192 192 ALA H H 192 7.394 7.394 8.253 -0.859 25554 904 1 . 1 1 193 193 LEU N N 193 119.009 119.009 119.954 -0.945 25554 905 1 . 1 1 193 193 LEU C C 193 175.979 175.979 178.728 -2.749 25554 906 1 . 1 1 193 193 LEU CA C 193 56.336 56.336 57.152 -0.817 25554 907 1 . 1 1 193 193 LEU CB C 193 42.866 42.866 41.327 1.539 25554 908 1 . 1 1 193 193 LEU H H 193 8.340 8.340 7.980 0.360 25554 909 1 . 1 1 194 194 ALA N N 194 121.666 121.666 121.540 0.126 25554 910 1 . 1 1 194 194 ALA C C 194 166.896 166.896 179.274 -12.378 25554 911 1 . 1 1 194 194 ALA CA C 194 55.164 55.164 54.869 0.295 25554 912 1 . 1 1 194 194 ALA CB C 194 16.513 16.513 18.035 -1.522 25554 913 1 . 1 1 194 194 ALA H H 194 8.176 8.176 8.119 0.057 25554 914 1 . 1 1 195 195 ALA N N 195 119.541 119.541 121.325 -1.784 25554 915 1 . 1 1 195 195 ALA C C 195 173.928 173.928 179.570 -5.642 25554 916 1 . 1 1 195 195 ALA CA C 195 57.507 57.507 54.950 2.556 25554 917 1 . 1 1 195 195 ALA CB C 195 19.441 19.441 18.321 1.120 25554 918 1 . 1 1 195 195 ALA H H 195 8.364 8.364 8.325 0.039 25554 919 1 . 1 1 196 196 GLN N N 196 107.322 107.322 118.908 -11.586 25554 920 1 . 1 1 196 196 GLN C C 196 176.273 176.273 178.422 -2.149 25554 921 1 . 1 1 196 196 GLN CA C 196 56.921 56.921 59.026 -2.105 25554 922 1 . 1 1 196 196 GLN CB C 196 29.983 29.983 28.610 1.373 25554 923 1 . 1 1 196 196 GLN H H 196 7.910 7.910 8.068 -0.158 25554 924 1 . 1 1 197 197 TYR N N 197 115.623 115.623 119.411 -3.788 25554 925 1 . 1 1 197 197 TYR CA C 197 67.462 67.462 59.403 8.059 25554 926 1 . 1 1 197 197 TYR CB C 197 41.695 41.695 37.925 3.770 25554 927 1 . 1 1 197 197 TYR H H 197 8.196 8.196 8.358 -0.162 25554 928 1 . 1 1 198 198 GLU N N 198 110.244 110.244 119.813 -9.569 25554 929 1 . 1 1 198 198 GLU C C 198 176.273 176.273 178.906 -2.633 25554 930 1 . 1 1 198 198 GLU CA C 198 53.407 53.407 59.446 -6.039 25554 931 1 . 1 1 198 198 GLU CB C 198 30.568 30.568 29.626 0.942 25554 932 1 . 1 1 198 198 GLU H H 198 7.523 7.523 8.401 -0.878 25554 933 1 . 1 1 199 199 HIS N N 199 118.611 118.611 119.734 -1.123 25554 934 1 . 1 1 199 199 HIS C C 199 175.686 175.686 177.156 -1.470 25554 935 1 . 1 1 199 199 HIS CA C 199 56.921 56.921 59.271 -2.350 25554 936 1 . 1 1 199 199 HIS CB C 199 28.226 28.226 29.823 -1.597 25554 937 1 . 1 1 199 199 HIS H H 199 8.512 8.512 8.522 -0.010 25554 938 1 . 1 1 200 200 ASP N N 200 120.736 120.736 120.527 0.210 25554 939 1 . 1 1 200 200 ASP C C 200 176.273 176.273 178.644 -2.371 25554 940 1 . 1 1 200 200 ASP CA C 200 56.921 56.921 57.445 -0.524 25554 941 1 . 1 1 200 200 ASP CB C 200 40.524 40.524 40.482 0.042 25554 942 1 . 1 1 200 200 ASP H H 200 7.519 7.519 8.652 -1.133 25554 943 1 . 1 1 201 201 LEU N N 201 116.353 116.353 120.841 -4.488 25554 944 1 . 1 1 201 201 LEU C C 201 178.910 178.910 178.518 0.392 25554 945 1 . 1 1 201 201 LEU CA C 201 61.606 61.606 58.092 3.514 25554 946 1 . 1 1 201 201 LEU CB C 201 41.109 41.109 42.002 -0.893 25554 947 1 . 1 1 201 201 LEU H H 201 7.722 7.722 8.239 -0.517 25554 948 1 . 1 1 202 202 GLU N N 202 118.080 118.080 119.516 -1.436 25554 949 1 . 1 1 202 202 GLU C C 202 176.566 176.566 179.083 -2.517 25554 950 1 . 1 1 202 202 GLU CA C 202 56.921 56.921 59.651 -2.730 25554 951 1 . 1 1 202 202 GLU CB C 202 30.568 30.568 29.594 0.974 25554 952 1 . 1 1 202 202 GLU H H 202 8.857 8.857 8.072 0.785 25554 953 1 . 1 1 203 203 VAL N N 203 129.369 129.369 119.872 9.497 25554 954 1 . 1 1 203 203 VAL C C 203 178.617 178.617 177.765 0.852 25554 955 1 . 1 1 203 203 VAL CA C 203 64.534 64.534 65.984 -1.450 25554 956 1 . 1 1 203 203 VAL CB C 203 27.640 27.640 31.566 -3.926 25554 957 1 . 1 1 203 203 VAL H H 203 9.283 9.283 8.015 1.268 25554 958 1 . 1 1 204 204 ALA N N 204 109.580 109.580 121.642 -12.062 25554 959 1 . 1 1 204 204 ALA C C 204 176.859 176.859 179.187 -2.328 25554 960 1 . 1 1 204 204 ALA CA C 204 54.579 54.579 54.544 0.036 25554 961 1 . 1 1 204 204 ALA CB C 204 18.270 18.270 18.679 -0.409 25554 962 1 . 1 1 204 204 ALA H H 204 8.528 8.528 8.085 0.443 25554 963 1 . 1 1 205 205 GLN N N 205 115.756 115.756 117.592 -1.836 25554 964 1 . 1 1 205 205 GLN C C 205 175.979 175.979 177.978 -1.999 25554 965 1 . 1 1 205 205 GLN CA C 205 48.137 48.137 57.783 -9.646 25554 966 1 . 1 1 205 205 GLN CB C 205 25.883 25.883 28.507 -2.624 25554 967 1 . 1 1 205 205 GLN H H 205 7.973 7.973 8.058 -0.086 25554 968 1 . 1 1 206 206 THR N N 206 120.271 120.271 114.431 5.841 25554 969 1 . 1 1 206 206 THR C C 206 176.273 176.273 175.298 0.975 25554 970 1 . 1 1 206 206 THR CA C 206 67.462 67.462 64.434 3.028 25554 971 1 . 1 1 206 206 THR CB C 206 70.390 70.390 69.183 1.207 25554 972 1 . 1 1 206 206 THR H H 206 7.585 7.585 8.061 -0.476 25554 973 1 . 1 1 207 207 THR N N 207 111.970 111.970 113.171 -1.201 25554 974 1 . 1 1 207 207 THR C C 207 176.566 176.566 174.445 2.121 25554 975 1 . 1 1 207 207 THR CA C 207 64.534 64.534 61.437 3.097 25554 976 1 . 1 1 207 207 THR CB C 207 72.733 72.733 69.513 3.220 25554 977 1 . 1 1 207 207 THR H H 207 7.468 7.468 7.912 -0.444 25554 978 1 . 1 1 208 208 ALA N N 208 115.623 115.623 124.937 -9.314 25554 979 1 . 1 1 208 208 ALA C C 208 168.947 168.947 177.770 -8.823 25554 980 1 . 1 1 208 208 ALA CA C 208 55.164 55.164 52.735 2.429 25554 981 1 . 1 1 208 208 ALA CB C 208 22.369 22.369 19.566 2.803 25554 982 1 . 1 1 208 208 ALA H H 208 7.390 7.390 8.213 -0.823 25554 983 1 . 1 1 209 209 LEU N N 209 117.814 117.814 120.847 -3.033 25554 984 1 . 1 1 209 209 LEU C C 209 176.273 176.273 175.692 0.581 25554 985 1 . 1 1 209 209 LEU CA C 209 58.678 58.678 55.906 2.771 25554 986 1 . 1 1 209 209 LEU CB C 209 46.380 46.380 40.634 5.745 25554 987 1 . 1 1 209 209 LEU H H 209 7.652 7.652 8.096 -0.444 25554 988 1 . 1 1 210 210 PRO C C 210 176.566 176.566 176.557 0.009 25554 989 1 . 1 1 210 210 PRO CA C 210 63.086 63.086 63.805 -0.719 25554 990 1 . 1 1 210 210 PRO CB C 210 31.146 31.146 32.032 -0.886 25554 991 1 . 1 1 211 211 ASP N N 211 121.134 121.134 119.502 1.632 25554 992 1 . 1 1 211 211 ASP C C 211 176.273 176.273 177.418 -1.145 25554 993 1 . 1 1 211 211 ASP CA C 211 52.236 52.236 55.057 -2.821 25554 994 1 . 1 1 211 211 ASP CB C 211 42.281 42.281 41.723 0.557 25554 995 1 . 1 1 211 211 ASP H H 211 9.510 9.510 8.290 1.220 25554 996 1 . 1 1 212 212 GLU N N 212 131.162 131.162 120.085 11.077 25554 997 1 . 1 1 212 212 GLU C C 212 176.273 176.273 177.282 -1.009 25554 998 1 . 1 1 212 212 GLU CA C 212 55.164 55.164 59.007 -3.843 25554 999 1 . 1 1 212 212 GLU CB C 212 30.568 30.568 29.688 0.880 25554 1000 1 . 1 1 212 212 GLU H H 212 8.399 8.399 8.571 -0.172 25554 1001 1 . 1 1 213 213 ASP N N 213 115.822 115.822 118.823 -3.001 25554 1002 1 . 1 1 213 213 ASP C C 213 174.807 174.807 177.062 -2.255 25554 1003 1 . 1 1 213 213 ASP CA C 213 51.065 51.065 55.868 -4.803 25554 1004 1 . 1 1 213 213 ASP CB C 213 41.109 41.109 40.470 0.639 25554 1005 1 . 1 1 213 213 ASP H H 213 10.699 10.699 8.267 2.432 25554 1006 1 . 1 1 214 214 ASP N N 214 112.369 112.369 119.954 -7.585 25554 1007 1 . 1 1 214 214 ASP C C 214 178.910 178.910 177.199 1.711 25554 1008 1 . 1 1 214 214 ASP CA C 214 54.579 54.579 55.721 -1.142 25554 1009 1 . 1 1 214 214 ASP CB C 214 39.353 39.353 40.901 -1.548 25554 1010 1 . 1 1 214 214 ASP H H 214 7.464 7.464 8.113 -0.649 25554 1011 1 . 1 1 215 215 ASP N N 215 127.244 127.244 120.437 6.807 25554 1012 1 . 1 1 215 215 ASP C C 215 176.859 176.859 177.248 -0.389 25554 1013 1 . 1 1 215 215 ASP CA C 215 54.579 54.579 55.827 -1.248 25554 1014 1 . 1 1 215 215 ASP CB C 215 40.524 40.524 41.107 -0.583 25554 1015 1 . 1 1 215 215 ASP H H 215 8.301 8.301 8.103 0.198 25554 stop_ save_